USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 80 SER OG : rot -85:sc= 0.874 USER MOD Set 2.2: B 80 SER OG : rot -90:sc= 0.802 USER MOD Set 3.1: B 28 LYS NZ :NH3+ -160:sc= 0.889 (180deg=0.6) USER MOD Set 3.2: B 65 ASN : amide:sc= -1.62! C(o=-0.73!,f=-2.4!) USER MOD Set 4.1: B 31 LYS NZ :NH3+ -142:sc= 1.2 (180deg=0) USER MOD Set 4.2: B 59 MET CE :methyl 144:sc= -4.13! (180deg=-4.74!) USER MOD Set 4.3: B 68 ASN : amide:sc= -1.13 K(o=-4.1,f=-16!) USER MOD Set 5.1: A 81 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 28 LYS NZ :NH3+ -160:sc= 0.913 (180deg=0.609) USER MOD Set 6.2: A 65 ASN : amide:sc= -1.61! C(o=-0.7!,f=-2.4!) USER MOD Set 7.1: A 31 LYS NZ :NH3+ -132:sc= 1.29 (180deg=0) USER MOD Set 7.2: A 59 MET CE :methyl 144:sc= -4.14 (180deg=-4.73!) USER MOD Set 7.3: A 68 ASN : amide:sc= -1.24 K(o=-4.1,f=-15!) USER MOD Single : A 3 SER OG : rot 32:sc= 0.726 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -1.46! (180deg=-1.66!) USER MOD Single : A 12 MET CE :methyl -122:sc= -0.294 (180deg=-0.98) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 55:sc= -0.148 USER MOD Single : A 17 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-3.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 31:sc= 1.67 USER MOD Single : A 20 SER OG : rot -146:sc= -0.513! USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -1.42! (180deg=-3.32!) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.395 (180deg=-0.615) USER MOD Single : A 30 ASN :FLIP amide:sc= 0.00558 F(o=-4!,f=0.0056) USER MOD Single : A 32 SER OG : rot -66:sc= 0.6 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -71:sc= 0.77 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0507) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 56 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.34) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.112 (180deg=-0.557) USER MOD Single : A 60 SER OG : rot 12:sc= 1.27 USER MOD Single : A 61 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.149 F(o=-3.1!,f=-0.15) USER MOD Single : A 75 TYR OH : rot -82:sc= 0.23 USER MOD Single : A 76 SER OG : rot 67:sc= 1.27 USER MOD Single : A 84 MET CE :methyl 171:sc= -1.99 (180deg=-2.07!) USER MOD Single : A 86 SER OG : rot 92:sc= 1.25 USER MOD Single : A 87 ASN : amide:sc= -1.95 X(o=-1.9,f=-2) USER MOD Single : A 96 LYS NZ :NH3+ 146:sc= 1.65 (180deg=0.523) USER MOD Single : B 3 SER OG : rot 25:sc= 0.753 USER MOD Single : B 7 LYS NZ :NH3+ 175:sc= -1.67! (180deg=-2.07!) USER MOD Single : B 12 MET CE :methyl -124:sc= -0.327 (180deg=-1.03) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 53:sc= -0.168 USER MOD Single : B 17 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-3.4!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 47:sc= 1.79 USER MOD Single : B 20 SER OG : rot -146:sc= -0.561! USER MOD Single : B 22 LYS NZ :NH3+ 157:sc= -1.5! (180deg=-3.55!) USER MOD Single : B 26 LYS NZ :NH3+ -164:sc= -0.391 (180deg=-0.616) USER MOD Single : B 30 ASN :FLIP amide:sc= 0.0201 F(o=-4!,f=0.02) USER MOD Single : B 32 SER OG : rot -68:sc= 0.597 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -72:sc= 0.743 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0571) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : B 56 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.33) USER MOD Single : B 57 LYS NZ :NH3+ 158:sc= -0.126 (180deg=-0.557) USER MOD Single : B 60 SER OG : rot 16:sc= 1.2 USER MOD Single : B 61 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.3) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 73 GLN :FLIP amide:sc= -0.142 F(o=-3.1!,f=-0.14) USER MOD Single : B 75 TYR OH : rot -83:sc= 0.229 USER MOD Single : B 76 SER OG : rot 70:sc= 1.34 USER MOD Single : B 84 MET CE :methyl 177:sc= -1.95 (180deg=-2.1!) USER MOD Single : B 86 SER OG : rot 84:sc= 1.28 USER MOD Single : B 87 ASN : amide:sc= -1.75 X(o=-1.8,f=-1.8) USER MOD Single : B 96 LYS NZ :NH3+ 146:sc= 1.67 (180deg=0.71) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.055 3.174 13.564 1.00 0.79 N ATOM 31 CA SER A 3 -7.408 4.259 14.288 1.00 0.78 C ATOM 32 C SER A 3 -5.986 4.527 13.713 1.00 0.65 C ATOM 33 O SER A 3 -5.749 4.228 12.551 1.00 0.83 O ATOM 34 CB SER A 3 -7.394 3.835 15.759 1.00 0.97 C ATOM 35 OG SER A 3 -8.560 3.084 16.070 1.00 1.18 O ATOM 0 HA SER A 3 -7.940 5.205 14.183 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.505 3.239 15.964 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.341 4.717 16.398 1.00 0.97 H new ATOM 0 HG SER A 3 -8.847 2.583 15.278 1.00 1.18 H new ATOM 41 N PRO A 4 -5.054 5.195 14.432 1.00 0.67 N ATOM 42 CA PRO A 4 -3.657 5.376 13.990 1.00 0.62 C ATOM 43 C PRO A 4 -3.029 4.271 13.096 1.00 0.46 C ATOM 44 O PRO A 4 -1.965 4.503 12.555 1.00 0.50 O ATOM 45 CB PRO A 4 -2.928 5.464 15.317 1.00 0.79 C ATOM 46 CG PRO A 4 -3.851 6.264 16.164 1.00 0.96 C ATOM 47 CD PRO A 4 -5.252 5.893 15.728 1.00 0.87 C ATOM 0 HA PRO A 4 -3.589 6.237 13.325 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.746 4.477 15.742 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -1.958 5.949 15.211 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.701 6.042 17.221 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.672 7.331 16.034 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.739 5.247 16.459 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -5.881 6.776 15.614 1.00 0.87 H new ATOM 55 N LEU A 5 -3.638 3.079 12.961 1.00 0.36 N ATOM 56 CA LEU A 5 -3.081 2.026 12.098 1.00 0.32 C ATOM 57 C LEU A 5 -3.004 2.459 10.642 1.00 0.30 C ATOM 58 O LEU A 5 -1.979 2.266 9.996 1.00 0.32 O ATOM 59 CB LEU A 5 -3.887 0.732 12.186 1.00 0.31 C ATOM 60 CG LEU A 5 -3.511 -0.350 11.158 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.457 -1.706 11.836 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.510 -0.390 10.007 1.00 0.27 C ATOM 0 H LEU A 5 -4.506 2.824 13.433 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.071 1.845 12.467 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.767 0.316 13.186 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.943 0.973 12.065 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.531 -0.104 10.750 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.190 -2.468 11.104 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.709 -1.687 12.629 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.433 -1.938 12.263 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.217 -1.164 9.298 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.504 -0.611 10.396 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.524 0.577 9.504 1.00 0.27 H new ATOM 74 N GLU A 6 -4.076 3.025 10.105 1.00 0.34 N ATOM 75 CA GLU A 6 -4.036 3.459 8.719 1.00 0.42 C ATOM 76 C GLU A 6 -3.041 4.608 8.573 1.00 0.33 C ATOM 77 O GLU A 6 -2.291 4.722 7.595 1.00 0.31 O ATOM 78 CB GLU A 6 -5.404 3.867 8.203 1.00 0.62 C ATOM 79 CG GLU A 6 -6.336 2.694 7.949 1.00 1.80 C ATOM 80 CD GLU A 6 -5.843 1.759 6.865 1.00 2.84 C ATOM 81 OE1 GLU A 6 -6.169 1.990 5.684 1.00 3.32 O ATOM 82 OE2 GLU A 6 -5.135 0.788 7.198 1.00 3.61 O ATOM 0 H GLU A 6 -4.957 3.190 10.591 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.712 2.613 8.112 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.869 4.539 8.924 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.281 4.429 7.277 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.461 2.132 8.874 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -7.319 3.074 7.671 1.00 1.80 H new ATOM 89 N LYS A 7 -3.018 5.453 9.586 1.00 0.35 N ATOM 90 CA LYS A 7 -2.035 6.514 9.672 1.00 0.36 C ATOM 91 C LYS A 7 -0.648 5.915 9.920 1.00 0.32 C ATOM 92 O LYS A 7 0.368 6.563 9.705 1.00 0.35 O ATOM 93 CB LYS A 7 -2.426 7.521 10.758 1.00 0.44 C ATOM 94 CG LYS A 7 -3.833 8.105 10.581 1.00 0.63 C ATOM 95 CD LYS A 7 -3.938 9.183 9.490 1.00 0.79 C ATOM 96 CE LYS A 7 -3.623 8.660 8.096 1.00 1.78 C ATOM 97 NZ LYS A 7 -2.256 9.051 7.651 1.00 2.82 N ATOM 0 H LYS A 7 -3.675 5.424 10.366 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.003 7.057 8.727 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.364 7.034 11.731 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.702 8.336 10.763 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.522 7.295 10.343 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.158 8.532 11.530 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.945 9.599 9.496 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.255 9.999 9.728 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -3.710 7.574 8.088 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -4.359 9.044 7.389 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -1.975 8.467 6.838 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -2.255 10.053 7.374 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -1.583 8.906 8.430 1.00 2.82 H new ATOM 111 N ALA A 8 -0.623 4.674 10.391 1.00 0.29 N ATOM 112 CA ALA A 8 0.620 3.945 10.604 1.00 0.29 C ATOM 113 C ALA A 8 1.167 3.410 9.291 1.00 0.27 C ATOM 114 O ALA A 8 2.364 3.185 9.172 1.00 0.28 O ATOM 115 CB ALA A 8 0.437 2.815 11.599 1.00 0.32 C ATOM 0 H ALA A 8 -1.461 4.147 10.635 1.00 0.29 H new ATOM 0 HA ALA A 8 1.342 4.647 11.021 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.384 2.292 11.734 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.107 3.222 12.555 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.312 2.118 11.224 1.00 0.32 H new ATOM 121 N LEU A 9 0.299 3.182 8.310 1.00 0.26 N ATOM 122 CA LEU A 9 0.790 2.958 6.944 1.00 0.26 C ATOM 123 C LEU A 9 1.490 4.231 6.491 1.00 0.26 C ATOM 124 O LEU A 9 2.486 4.215 5.782 1.00 0.26 O ATOM 125 CB LEU A 9 -0.319 2.638 5.937 1.00 0.26 C ATOM 126 CG LEU A 9 -1.613 2.083 6.509 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.652 1.975 5.411 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.399 0.734 7.175 1.00 0.27 C ATOM 0 H LEU A 9 -0.714 3.147 8.422 1.00 0.26 H new ATOM 0 HA LEU A 9 1.453 2.093 6.972 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.552 3.549 5.385 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.071 1.920 5.216 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.968 2.771 7.276 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.578 1.577 5.825 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.838 2.962 4.988 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.288 1.308 4.629 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.347 0.370 7.572 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -1.015 0.024 6.443 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.682 0.840 7.989 1.00 0.27 H new ATOM 140 N ASP A 10 0.953 5.355 6.915 1.00 0.27 N ATOM 141 CA ASP A 10 1.628 6.632 6.676 1.00 0.29 C ATOM 142 C ASP A 10 2.954 6.663 7.443 1.00 0.27 C ATOM 143 O ASP A 10 3.946 7.255 7.003 1.00 0.28 O ATOM 144 CB ASP A 10 0.741 7.809 7.080 1.00 0.33 C ATOM 145 CG ASP A 10 1.436 9.146 6.935 1.00 0.38 C ATOM 146 OD1 ASP A 10 2.085 9.593 7.906 1.00 1.16 O ATOM 147 OD2 ASP A 10 1.316 9.770 5.862 1.00 1.18 O ATOM 0 H ASP A 10 0.068 5.421 7.418 1.00 0.27 H new ATOM 0 HA ASP A 10 1.830 6.726 5.609 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.161 7.805 6.467 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.424 7.680 8.115 1.00 0.33 H new ATOM 152 N VAL A 11 2.973 5.983 8.584 1.00 0.27 N ATOM 153 CA VAL A 11 4.189 5.815 9.355 1.00 0.27 C ATOM 154 C VAL A 11 5.142 4.853 8.641 1.00 0.27 C ATOM 155 O VAL A 11 6.337 4.889 8.870 1.00 0.29 O ATOM 156 CB VAL A 11 3.882 5.311 10.784 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.159 5.005 11.546 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.054 6.336 11.541 1.00 0.31 C ATOM 0 H VAL A 11 2.152 5.538 8.994 1.00 0.27 H new ATOM 0 HA VAL A 11 4.671 6.789 9.441 1.00 0.27 H new ATOM 0 HB VAL A 11 3.310 4.387 10.696 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.910 4.653 12.547 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.721 4.234 11.019 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.764 5.909 11.619 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.846 5.966 12.545 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.607 7.273 11.607 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.114 6.505 11.015 1.00 0.31 H new ATOM 168 N MET A 12 4.608 4.003 7.768 1.00 0.26 N ATOM 169 CA MET A 12 5.444 3.132 6.936 1.00 0.29 C ATOM 170 C MET A 12 6.231 3.985 5.945 1.00 0.29 C ATOM 171 O MET A 12 7.355 3.655 5.571 1.00 0.34 O ATOM 172 CB MET A 12 4.592 2.084 6.200 1.00 0.32 C ATOM 173 CG MET A 12 4.327 2.396 4.730 1.00 0.98 C ATOM 174 SD MET A 12 2.856 1.567 4.086 1.00 2.23 S ATOM 175 CE MET A 12 2.782 2.244 2.430 1.00 2.75 C ATOM 0 H MET A 12 3.605 3.896 7.616 1.00 0.26 H new ATOM 0 HA MET A 12 6.140 2.592 7.578 1.00 0.29 H new ATOM 0 HB2 MET A 12 5.091 1.117 6.268 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.636 1.986 6.715 1.00 0.32 H new ATOM 0 HG2 MET A 12 4.213 3.473 4.608 1.00 0.98 H new ATOM 0 HG3 MET A 12 5.193 2.098 4.139 1.00 0.98 H new ATOM 0 HE1 MET A 12 1.824 2.742 2.283 1.00 2.75 H new ATOM 0 HE2 MET A 12 3.590 2.963 2.295 1.00 2.75 H new ATOM 0 HE3 MET A 12 2.887 1.439 1.703 1.00 2.75 H new ATOM 185 N VAL A 13 5.630 5.095 5.524 1.00 0.29 N ATOM 186 CA VAL A 13 6.353 6.089 4.737 1.00 0.31 C ATOM 187 C VAL A 13 7.515 6.636 5.567 1.00 0.27 C ATOM 188 O VAL A 13 8.631 6.823 5.072 1.00 0.27 O ATOM 189 CB VAL A 13 5.443 7.258 4.291 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.212 8.237 3.418 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.215 6.745 3.552 1.00 0.42 C ATOM 0 H VAL A 13 4.655 5.327 5.712 1.00 0.29 H new ATOM 0 HA VAL A 13 6.721 5.598 3.836 1.00 0.31 H new ATOM 0 HB VAL A 13 5.109 7.780 5.188 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.553 9.051 3.116 1.00 0.41 H new ATOM 0 HG12 VAL A 13 7.054 8.642 3.980 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.581 7.721 2.532 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.593 7.588 3.250 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.528 6.190 2.668 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.643 6.089 4.208 1.00 0.42 H new ATOM 201 N SER A 14 7.248 6.867 6.847 1.00 0.26 N ATOM 202 CA SER A 14 8.281 7.308 7.778 1.00 0.26 C ATOM 203 C SER A 14 9.326 6.210 7.999 1.00 0.25 C ATOM 204 O SER A 14 10.520 6.498 8.116 1.00 0.26 O ATOM 205 CB SER A 14 7.640 7.725 9.105 1.00 0.31 C ATOM 206 OG SER A 14 6.541 8.599 8.883 1.00 1.18 O ATOM 0 H SER A 14 6.324 6.756 7.265 1.00 0.26 H new ATOM 0 HA SER A 14 8.793 8.169 7.349 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.303 6.840 9.645 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.382 8.219 9.733 1.00 0.31 H new ATOM 0 HG SER A 14 6.145 8.852 9.743 1.00 1.18 H new ATOM 212 N THR A 15 8.862 4.966 8.051 1.00 0.28 N ATOM 213 CA THR A 15 9.724 3.795 8.077 1.00 0.32 C ATOM 214 C THR A 15 10.780 3.907 6.987 1.00 0.28 C ATOM 215 O THR A 15 11.979 3.690 7.216 1.00 0.29 O ATOM 216 CB THR A 15 8.883 2.519 7.847 1.00 0.45 C ATOM 217 OG1 THR A 15 8.043 2.269 8.981 1.00 0.59 O ATOM 218 CG2 THR A 15 9.759 1.311 7.572 1.00 0.93 C ATOM 0 H THR A 15 7.867 4.743 8.076 1.00 0.28 H new ATOM 0 HA THR A 15 10.212 3.736 9.050 1.00 0.32 H new ATOM 0 HB THR A 15 8.262 2.687 6.967 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.501 3.064 9.168 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.131 0.434 7.416 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.358 1.492 6.680 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.418 1.138 8.423 1.00 0.93 H new ATOM 226 N PHE A 16 10.322 4.297 5.808 1.00 0.27 N ATOM 227 CA PHE A 16 11.186 4.411 4.663 1.00 0.27 C ATOM 228 C PHE A 16 12.294 5.422 4.898 1.00 0.29 C ATOM 229 O PHE A 16 13.463 5.060 4.858 1.00 0.37 O ATOM 230 CB PHE A 16 10.394 4.776 3.413 1.00 0.34 C ATOM 231 CG PHE A 16 11.231 4.753 2.168 1.00 0.83 C ATOM 232 CD1 PHE A 16 12.007 5.840 1.821 1.00 1.65 C ATOM 233 CD2 PHE A 16 11.247 3.641 1.356 1.00 1.73 C ATOM 234 CE1 PHE A 16 12.784 5.820 0.686 1.00 2.27 C ATOM 235 CE2 PHE A 16 12.022 3.615 0.219 1.00 2.34 C ATOM 236 CZ PHE A 16 12.792 4.706 -0.113 1.00 2.36 C ATOM 0 H PHE A 16 9.348 4.540 5.627 1.00 0.27 H new ATOM 0 HA PHE A 16 11.647 3.435 4.509 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.562 4.081 3.299 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.964 5.770 3.538 1.00 0.34 H new ATOM 0 HD1 PHE A 16 12.004 6.719 2.449 1.00 1.65 H new ATOM 0 HD2 PHE A 16 10.646 2.782 1.614 1.00 1.73 H new ATOM 0 HE1 PHE A 16 13.385 6.678 0.425 1.00 2.27 H new ATOM 0 HE2 PHE A 16 12.026 2.739 -0.412 1.00 2.34 H new ATOM 0 HZ PHE A 16 13.403 4.685 -1.003 1.00 2.36 H new ATOM 246 N HIS A 17 11.933 6.680 5.168 1.00 0.30 N ATOM 247 CA HIS A 17 12.940 7.741 5.294 1.00 0.40 C ATOM 248 C HIS A 17 13.915 7.440 6.429 1.00 0.36 C ATOM 249 O HIS A 17 15.032 7.954 6.461 1.00 0.42 O ATOM 250 CB HIS A 17 12.291 9.130 5.471 1.00 0.59 C ATOM 251 CG HIS A 17 11.695 9.428 6.823 1.00 0.81 C ATOM 252 ND1 HIS A 17 10.366 9.747 7.001 1.00 1.53 N ATOM 253 CD2 HIS A 17 12.264 9.522 8.052 1.00 1.78 C ATOM 254 CE1 HIS A 17 10.148 10.026 8.273 1.00 2.03 C ATOM 255 NE2 HIS A 17 11.280 9.895 8.930 1.00 2.20 N ATOM 0 H HIS A 17 10.969 6.987 5.302 1.00 0.30 H new ATOM 0 HA HIS A 17 13.504 7.765 4.362 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.044 9.888 5.256 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.507 9.238 4.722 1.00 0.59 H new ATOM 0 HD2 HIS A 17 13.300 9.337 8.293 1.00 1.78 H new ATOM 0 HE1 HIS A 17 9.199 10.314 8.702 1.00 2.03 H new ATOM 0 HE2 HIS A 17 11.405 10.046 9.931 1.00 2.20 H new ATOM 264 N LYS A 18 13.476 6.598 7.352 1.00 0.34 N ATOM 265 CA LYS A 18 14.305 6.160 8.457 1.00 0.39 C ATOM 266 C LYS A 18 15.472 5.322 7.958 1.00 0.37 C ATOM 267 O LYS A 18 16.607 5.483 8.412 1.00 0.47 O ATOM 268 CB LYS A 18 13.451 5.362 9.439 1.00 0.43 C ATOM 269 CG LYS A 18 14.242 4.639 10.517 1.00 0.55 C ATOM 270 CD LYS A 18 13.401 4.473 11.774 1.00 0.73 C ATOM 271 CE LYS A 18 12.080 3.780 11.481 1.00 0.80 C ATOM 272 NZ LYS A 18 11.097 3.979 12.579 1.00 1.28 N ATOM 0 H LYS A 18 12.536 6.201 7.354 1.00 0.34 H new ATOM 0 HA LYS A 18 14.717 7.033 8.963 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.742 6.038 9.917 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.867 4.630 8.882 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.557 3.662 10.151 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.148 5.199 10.750 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.959 3.896 12.511 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.209 5.451 12.215 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.667 4.165 10.549 1.00 0.80 H new ATOM 0 HE3 LYS A 18 12.253 2.714 11.337 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 10.209 3.492 12.343 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 11.481 3.589 13.464 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.913 4.995 12.700 1.00 1.28 H new ATOM 286 N TYR A 19 15.194 4.435 7.017 1.00 0.29 N ATOM 287 CA TYR A 19 16.223 3.557 6.486 1.00 0.29 C ATOM 288 C TYR A 19 16.894 4.132 5.254 1.00 0.33 C ATOM 289 O TYR A 19 18.054 3.850 5.021 1.00 0.44 O ATOM 290 CB TYR A 19 15.660 2.176 6.186 1.00 0.31 C ATOM 291 CG TYR A 19 15.388 1.371 7.425 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.273 1.626 8.203 1.00 1.28 C ATOM 293 CD2 TYR A 19 16.251 0.359 7.821 1.00 1.23 C ATOM 294 CE1 TYR A 19 14.022 0.898 9.341 1.00 1.35 C ATOM 295 CE2 TYR A 19 16.004 -0.378 8.958 1.00 1.26 C ATOM 296 CZ TYR A 19 14.887 -0.103 9.716 1.00 0.62 C ATOM 297 OH TYR A 19 14.622 -0.843 10.845 1.00 0.79 O ATOM 0 H TYR A 19 14.269 4.304 6.607 1.00 0.29 H new ATOM 0 HA TYR A 19 16.986 3.466 7.259 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.736 2.282 5.618 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.362 1.633 5.553 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.589 2.409 7.911 1.00 1.28 H new ATOM 0 HD2 TYR A 19 17.129 0.146 7.229 1.00 1.23 H new ATOM 0 HE1 TYR A 19 13.148 1.111 9.939 1.00 1.35 H new ATOM 0 HE2 TYR A 19 16.681 -1.166 9.253 1.00 1.26 H new ATOM 0 HH TYR A 19 13.653 -0.908 10.973 1.00 0.79 H new ATOM 307 N SER A 20 16.179 4.929 4.475 1.00 0.29 N ATOM 308 CA SER A 20 16.748 5.522 3.270 1.00 0.32 C ATOM 309 C SER A 20 17.614 6.720 3.610 1.00 0.40 C ATOM 310 O SER A 20 18.382 7.196 2.784 1.00 0.60 O ATOM 311 CB SER A 20 15.641 5.946 2.316 1.00 0.35 C ATOM 312 OG SER A 20 14.729 6.825 2.956 1.00 0.86 O ATOM 0 H SER A 20 15.207 5.181 4.653 1.00 0.29 H new ATOM 0 HA SER A 20 17.371 4.768 2.788 1.00 0.32 H new ATOM 0 HB2 SER A 20 16.075 6.437 1.445 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.110 5.065 1.954 1.00 0.35 H new ATOM 0 HG SER A 20 13.828 6.676 2.601 1.00 0.86 H new ATOM 318 N GLY A 21 17.472 7.217 4.823 1.00 0.37 N ATOM 319 CA GLY A 21 18.280 8.337 5.245 1.00 0.43 C ATOM 320 C GLY A 21 19.551 7.891 5.932 1.00 0.41 C ATOM 321 O GLY A 21 20.106 8.618 6.758 1.00 0.46 O ATOM 0 H GLY A 21 16.815 6.868 5.521 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.532 8.949 4.379 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.703 8.966 5.923 1.00 0.43 H new ATOM 325 N LYS A 22 20.017 6.694 5.601 1.00 0.40 N ATOM 326 CA LYS A 22 21.212 6.154 6.223 1.00 0.46 C ATOM 327 C LYS A 22 22.406 6.219 5.276 1.00 0.52 C ATOM 328 O LYS A 22 23.491 6.656 5.658 1.00 0.65 O ATOM 329 CB LYS A 22 20.982 4.714 6.658 1.00 0.47 C ATOM 330 CG LYS A 22 19.711 4.505 7.462 1.00 0.60 C ATOM 331 CD LYS A 22 19.601 3.086 8.014 1.00 0.56 C ATOM 332 CE LYS A 22 19.625 2.018 6.920 1.00 0.49 C ATOM 333 NZ LYS A 22 21.002 1.712 6.449 1.00 1.08 N ATOM 0 H LYS A 22 19.586 6.083 4.908 1.00 0.40 H new ATOM 0 HA LYS A 22 21.432 6.764 7.099 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.948 4.079 5.773 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.834 4.385 7.253 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.685 5.216 8.287 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.847 4.715 6.832 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.422 2.907 8.708 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.677 2.994 8.584 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.163 1.106 7.298 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.023 2.354 6.076 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.017 0.769 6.011 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.296 2.424 5.750 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.657 1.729 7.257 1.00 1.08 H new ATOM 347 N GLU A 23 22.194 5.798 4.040 1.00 0.47 N ATOM 348 CA GLU A 23 23.262 5.701 3.056 1.00 0.55 C ATOM 349 C GLU A 23 22.769 6.151 1.680 1.00 0.58 C ATOM 350 O GLU A 23 21.602 5.980 1.349 1.00 0.64 O ATOM 351 CB GLU A 23 23.756 4.251 2.994 1.00 0.67 C ATOM 352 CG GLU A 23 24.930 4.032 2.058 1.00 1.15 C ATOM 353 CD GLU A 23 26.146 4.837 2.465 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.228 6.028 2.100 1.00 2.38 O ATOM 355 OE2 GLU A 23 27.024 4.284 3.157 1.00 1.96 O ATOM 0 H GLU A 23 21.279 5.514 3.690 1.00 0.47 H new ATOM 0 HA GLU A 23 24.083 6.355 3.351 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.041 3.933 3.997 1.00 0.67 H new ATOM 0 HB3 GLU A 23 22.931 3.611 2.680 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.187 2.973 2.042 1.00 1.15 H new ATOM 0 HG3 GLU A 23 24.639 4.305 1.044 1.00 1.15 H new ATOM 362 N GLY A 24 23.661 6.732 0.886 1.00 0.72 N ATOM 363 CA GLY A 24 23.303 7.152 -0.458 1.00 0.85 C ATOM 364 C GLY A 24 22.419 8.384 -0.476 1.00 0.79 C ATOM 365 O GLY A 24 22.882 9.494 -0.200 1.00 0.92 O ATOM 0 H GLY A 24 24.628 6.921 1.149 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.212 7.355 -1.024 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.789 6.335 -0.964 1.00 0.85 H new ATOM 369 N ASP A 25 21.146 8.192 -0.795 1.00 0.71 N ATOM 370 CA ASP A 25 20.192 9.292 -0.837 1.00 0.70 C ATOM 371 C ASP A 25 19.464 9.401 0.488 1.00 0.73 C ATOM 372 O ASP A 25 19.952 8.939 1.510 1.00 1.34 O ATOM 373 CB ASP A 25 19.170 9.115 -1.977 1.00 0.73 C ATOM 374 CG ASP A 25 19.775 9.391 -3.336 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.428 8.494 -3.901 1.00 1.75 O ATOM 376 OD2 ASP A 25 19.601 10.514 -3.852 1.00 1.65 O ATOM 0 H ASP A 25 20.749 7.282 -1.029 1.00 0.71 H new ATOM 0 HA ASP A 25 20.753 10.208 -1.024 1.00 0.70 H new ATOM 0 HB2 ASP A 25 18.777 8.098 -1.956 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.327 9.786 -1.814 1.00 0.73 H new ATOM 381 N LYS A 26 18.328 10.063 0.468 1.00 0.61 N ATOM 382 CA LYS A 26 17.437 10.098 1.609 1.00 0.56 C ATOM 383 C LYS A 26 16.065 9.578 1.185 1.00 0.49 C ATOM 384 O LYS A 26 15.192 9.296 2.006 1.00 0.55 O ATOM 385 CB LYS A 26 17.343 11.535 2.140 1.00 0.71 C ATOM 386 CG LYS A 26 16.144 11.783 3.032 1.00 1.03 C ATOM 387 CD LYS A 26 16.342 11.245 4.445 1.00 0.70 C ATOM 388 CE LYS A 26 16.892 12.308 5.389 1.00 0.94 C ATOM 389 NZ LYS A 26 18.253 12.766 5.006 1.00 1.56 N ATOM 0 H LYS A 26 17.995 10.592 -0.338 1.00 0.61 H new ATOM 0 HA LYS A 26 17.819 9.463 2.408 1.00 0.56 H new ATOM 0 HB2 LYS A 26 18.251 11.766 2.696 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.303 12.222 1.295 1.00 0.71 H new ATOM 0 HG2 LYS A 26 15.947 12.854 3.079 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.264 11.316 2.590 1.00 1.03 H new ATOM 0 HD2 LYS A 26 15.391 10.876 4.829 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.025 10.396 4.417 1.00 0.70 H new ATOM 0 HE2 LYS A 26 16.215 13.163 5.401 1.00 0.94 H new ATOM 0 HE3 LYS A 26 16.919 11.909 6.403 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 18.667 13.314 5.787 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 18.853 11.941 4.805 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 18.192 13.364 4.157 1.00 1.56 H new ATOM 403 N PHE A 27 15.909 9.402 -0.115 1.00 0.45 N ATOM 404 CA PHE A 27 14.616 9.091 -0.694 1.00 0.44 C ATOM 405 C PHE A 27 14.643 7.745 -1.390 1.00 0.40 C ATOM 406 O PHE A 27 13.687 7.375 -2.073 1.00 0.40 O ATOM 407 CB PHE A 27 14.201 10.176 -1.697 1.00 0.50 C ATOM 408 CG PHE A 27 13.742 11.469 -1.075 1.00 0.78 C ATOM 409 CD1 PHE A 27 14.624 12.279 -0.379 1.00 1.28 C ATOM 410 CD2 PHE A 27 12.422 11.873 -1.193 1.00 1.76 C ATOM 411 CE1 PHE A 27 14.200 13.466 0.186 1.00 1.59 C ATOM 412 CE2 PHE A 27 11.992 13.060 -0.631 1.00 2.09 C ATOM 413 CZ PHE A 27 12.882 13.856 0.060 1.00 1.65 C ATOM 0 H PHE A 27 16.668 9.470 -0.793 1.00 0.45 H new ATOM 0 HA PHE A 27 13.889 9.053 0.118 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.045 10.385 -2.355 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.399 9.785 -2.322 1.00 0.50 H new ATOM 0 HD1 PHE A 27 15.656 11.979 -0.277 1.00 1.28 H new ATOM 0 HD2 PHE A 27 11.720 11.253 -1.731 1.00 1.76 H new ATOM 0 HE1 PHE A 27 14.899 14.088 0.726 1.00 1.59 H new ATOM 0 HE2 PHE A 27 10.961 13.364 -0.733 1.00 2.09 H new ATOM 0 HZ PHE A 27 12.548 14.783 0.502 1.00 1.65 H new ATOM 423 N LYS A 28 15.730 7.008 -1.207 1.00 0.39 N ATOM 424 CA LYS A 28 15.908 5.741 -1.888 1.00 0.36 C ATOM 425 C LYS A 28 16.724 4.784 -1.050 1.00 0.34 C ATOM 426 O LYS A 28 17.768 5.142 -0.517 1.00 0.38 O ATOM 427 CB LYS A 28 16.586 5.922 -3.242 1.00 0.40 C ATOM 428 CG LYS A 28 15.717 6.605 -4.276 1.00 0.49 C ATOM 429 CD LYS A 28 15.763 5.850 -5.589 1.00 0.56 C ATOM 430 CE LYS A 28 14.680 6.314 -6.551 1.00 0.86 C ATOM 431 NZ LYS A 28 14.247 5.232 -7.482 1.00 1.70 N ATOM 0 H LYS A 28 16.500 7.269 -0.591 1.00 0.39 H new ATOM 0 HA LYS A 28 14.913 5.326 -2.046 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.498 6.504 -3.106 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.885 4.945 -3.621 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.689 6.660 -3.917 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.057 7.629 -4.427 1.00 0.49 H new ATOM 0 HD2 LYS A 28 16.741 5.986 -6.051 1.00 0.56 H new ATOM 0 HD3 LYS A 28 15.646 4.783 -5.398 1.00 0.56 H new ATOM 0 HE2 LYS A 28 13.819 6.667 -5.983 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.049 7.161 -7.129 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 13.782 5.653 -8.312 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 15.077 4.686 -7.790 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 13.579 4.601 -6.994 1.00 1.70 H new ATOM 445 N LEU A 29 16.232 3.564 -0.976 1.00 0.31 N ATOM 446 CA LEU A 29 16.887 2.494 -0.276 1.00 0.28 C ATOM 447 C LEU A 29 17.815 1.765 -1.217 1.00 0.31 C ATOM 448 O LEU A 29 17.368 1.032 -2.099 1.00 0.33 O ATOM 449 CB LEU A 29 15.851 1.500 0.243 1.00 0.26 C ATOM 450 CG LEU A 29 14.836 2.045 1.224 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.689 1.068 1.334 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.470 2.270 2.582 1.00 0.25 C ATOM 0 H LEU A 29 15.350 3.291 -1.410 1.00 0.31 H new ATOM 0 HA LEU A 29 17.449 2.915 0.558 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.315 1.087 -0.611 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.378 0.673 0.719 1.00 0.26 H new ATOM 0 HG LEU A 29 14.467 3.006 0.865 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.951 1.451 2.039 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.225 0.940 0.356 1.00 0.28 H new ATOM 0 HD13 LEU A 29 14.063 0.107 1.686 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.723 2.662 3.272 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.857 1.325 2.964 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.287 2.985 2.488 1.00 0.25 H new ATOM 464 N ASN A 30 19.097 1.956 -1.021 1.00 0.32 N ATOM 465 CA ASN A 30 20.089 1.178 -1.733 1.00 0.36 C ATOM 466 C ASN A 30 20.105 -0.208 -1.144 1.00 0.33 C ATOM 467 O ASN A 30 19.443 -0.445 -0.138 1.00 0.30 O ATOM 468 CB ASN A 30 21.461 1.846 -1.653 1.00 0.42 C ATOM 469 CG ASN A 30 21.787 2.322 -0.258 1.00 0.44 C ATOM 470 OD1 ASN A 30 21.212 3.455 0.114 1.00 0.56 O flip ATOM 471 ND2 ASN A 30 22.507 1.660 0.493 1.00 0.43 N flip ATOM 0 H ASN A 30 19.481 2.644 -0.374 1.00 0.32 H new ATOM 0 HA ASN A 30 19.836 1.117 -2.792 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.225 1.142 -1.982 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.491 2.692 -2.339 1.00 0.42 H new ATOM 0 HD21 ASN A 30 22.929 0.792 0.161 1.00 0.43 H new ATOM 0 HD22 ASN A 30 22.681 1.980 1.446 1.00 0.43 H new ATOM 478 N LYS A 31 20.837 -1.120 -1.758 1.00 0.35 N ATOM 479 CA LYS A 31 20.751 -2.526 -1.390 1.00 0.34 C ATOM 480 C LYS A 31 20.862 -2.733 0.120 1.00 0.31 C ATOM 481 O LYS A 31 20.118 -3.523 0.693 1.00 0.31 O ATOM 482 CB LYS A 31 21.859 -3.339 -2.034 1.00 0.41 C ATOM 483 CG LYS A 31 21.849 -3.411 -3.543 1.00 0.68 C ATOM 484 CD LYS A 31 22.979 -4.318 -4.000 1.00 0.71 C ATOM 485 CE LYS A 31 23.085 -4.388 -5.507 1.00 1.15 C ATOM 486 NZ LYS A 31 23.753 -3.183 -6.068 1.00 1.99 N ATOM 0 H LYS A 31 21.495 -0.916 -2.510 1.00 0.35 H new ATOM 0 HA LYS A 31 19.775 -2.860 -1.742 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.816 -2.923 -1.718 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.809 -4.355 -1.643 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.892 -3.795 -3.896 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.970 -2.415 -3.969 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.921 -3.957 -3.588 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.821 -5.320 -3.602 1.00 0.71 H new ATOM 0 HE2 LYS A 31 23.644 -5.280 -5.791 1.00 1.15 H new ATOM 0 HE3 LYS A 31 22.089 -4.485 -5.938 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 23.195 -2.816 -6.865 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.827 -2.453 -5.331 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 24.705 -3.437 -6.401 1.00 1.99 H new ATOM 500 N SER A 32 21.806 -2.038 0.749 1.00 0.34 N ATOM 501 CA SER A 32 22.016 -2.156 2.187 1.00 0.37 C ATOM 502 C SER A 32 20.745 -1.780 2.928 1.00 0.34 C ATOM 503 O SER A 32 20.231 -2.550 3.737 1.00 0.38 O ATOM 504 CB SER A 32 23.172 -1.257 2.644 1.00 0.45 C ATOM 505 OG SER A 32 23.432 -1.419 4.032 1.00 1.33 O ATOM 0 H SER A 32 22.438 -1.387 0.284 1.00 0.34 H new ATOM 0 HA SER A 32 22.273 -3.191 2.414 1.00 0.37 H new ATOM 0 HB2 SER A 32 24.069 -1.496 2.073 1.00 0.45 H new ATOM 0 HB3 SER A 32 22.930 -0.215 2.436 1.00 0.45 H new ATOM 0 HG SER A 32 22.669 -1.085 4.549 1.00 1.33 H new ATOM 511 N GLU A 33 20.231 -0.605 2.614 1.00 0.32 N ATOM 512 CA GLU A 33 19.036 -0.092 3.250 1.00 0.35 C ATOM 513 C GLU A 33 17.836 -0.968 2.924 1.00 0.30 C ATOM 514 O GLU A 33 16.989 -1.210 3.779 1.00 0.32 O ATOM 515 CB GLU A 33 18.794 1.332 2.785 1.00 0.45 C ATOM 516 CG GLU A 33 19.960 2.257 3.061 1.00 0.59 C ATOM 517 CD GLU A 33 19.650 3.679 2.671 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.016 3.871 1.620 1.00 2.15 O ATOM 519 OE2 GLU A 33 20.046 4.597 3.412 1.00 2.32 O ATOM 0 H GLU A 33 20.631 0.018 1.912 1.00 0.32 H new ATOM 0 HA GLU A 33 19.174 -0.101 4.331 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.588 1.328 1.715 1.00 0.45 H new ATOM 0 HB3 GLU A 33 17.904 1.722 3.279 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.213 2.217 4.121 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.836 1.912 2.511 1.00 0.59 H new ATOM 526 N LEU A 34 17.781 -1.442 1.682 1.00 0.30 N ATOM 527 CA LEU A 34 16.747 -2.362 1.247 1.00 0.33 C ATOM 528 C LEU A 34 16.769 -3.613 2.124 1.00 0.29 C ATOM 529 O LEU A 34 15.752 -3.986 2.701 1.00 0.30 O ATOM 530 CB LEU A 34 16.970 -2.730 -0.222 1.00 0.50 C ATOM 531 CG LEU A 34 15.842 -3.518 -0.882 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.590 -2.664 -0.974 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.273 -3.997 -2.260 1.00 0.55 C ATOM 0 H LEU A 34 18.452 -1.197 0.954 1.00 0.30 H new ATOM 0 HA LEU A 34 15.771 -1.887 1.343 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.128 -1.812 -0.788 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.888 -3.312 -0.297 1.00 0.50 H new ATOM 0 HG LEU A 34 15.616 -4.392 -0.271 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.792 -3.237 -1.447 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.278 -2.366 0.027 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.799 -1.775 -1.569 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.460 -4.558 -2.721 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.520 -3.137 -2.883 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.148 -4.639 -2.165 1.00 0.55 H new ATOM 545 N LYS A 35 17.941 -4.240 2.227 1.00 0.29 N ATOM 546 CA LYS A 35 18.136 -5.386 3.119 1.00 0.29 C ATOM 547 C LYS A 35 17.629 -5.092 4.523 1.00 0.29 C ATOM 548 O LYS A 35 16.745 -5.779 5.036 1.00 0.31 O ATOM 549 CB LYS A 35 19.615 -5.744 3.234 1.00 0.32 C ATOM 550 CG LYS A 35 20.195 -6.476 2.044 1.00 0.39 C ATOM 551 CD LYS A 35 21.702 -6.605 2.192 1.00 0.52 C ATOM 552 CE LYS A 35 22.292 -7.594 1.206 1.00 0.70 C ATOM 553 NZ LYS A 35 23.761 -7.734 1.379 1.00 1.29 N ATOM 0 H LYS A 35 18.774 -3.973 1.702 1.00 0.29 H new ATOM 0 HA LYS A 35 17.575 -6.213 2.684 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.183 -4.827 3.388 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.755 -6.359 4.123 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.744 -7.465 1.961 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.957 -5.939 1.126 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.165 -5.629 2.046 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.940 -6.921 3.208 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.816 -8.566 1.337 1.00 0.70 H new ATOM 0 HE3 LYS A 35 22.075 -7.267 0.189 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 24.128 -8.418 0.687 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 24.218 -6.812 1.229 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.967 -8.070 2.341 1.00 1.29 H new ATOM 567 N GLU A 36 18.204 -4.066 5.137 1.00 0.29 N ATOM 568 CA GLU A 36 17.930 -3.747 6.529 1.00 0.32 C ATOM 569 C GLU A 36 16.466 -3.462 6.748 1.00 0.31 C ATOM 570 O GLU A 36 15.859 -3.998 7.666 1.00 0.39 O ATOM 571 CB GLU A 36 18.762 -2.554 6.969 1.00 0.36 C ATOM 572 CG GLU A 36 20.234 -2.786 6.748 1.00 0.37 C ATOM 573 CD GLU A 36 21.078 -1.563 7.030 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.374 -1.298 8.215 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.456 -0.860 6.068 1.00 1.31 O ATOM 0 H GLU A 36 18.868 -3.437 4.687 1.00 0.29 H new ATOM 0 HA GLU A 36 18.201 -4.615 7.130 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.447 -1.668 6.418 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.580 -2.354 8.025 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.566 -3.604 7.387 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.395 -3.101 5.717 1.00 0.37 H new ATOM 582 N LEU A 37 15.901 -2.630 5.903 1.00 0.27 N ATOM 583 CA LEU A 37 14.501 -2.310 6.006 1.00 0.26 C ATOM 584 C LEU A 37 13.662 -3.575 5.844 1.00 0.27 C ATOM 585 O LEU A 37 12.835 -3.876 6.682 1.00 0.31 O ATOM 586 CB LEU A 37 14.125 -1.260 4.960 1.00 0.24 C ATOM 587 CG LEU A 37 12.726 -0.672 5.107 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.683 0.746 4.570 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.712 -1.544 4.393 1.00 0.50 C ATOM 0 H LEU A 37 16.391 -2.165 5.139 1.00 0.27 H new ATOM 0 HA LEU A 37 14.299 -1.893 6.993 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.850 -0.448 5.006 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.212 -1.708 3.970 1.00 0.24 H new ATOM 0 HG LEU A 37 12.473 -0.642 6.167 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.676 1.148 4.684 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.386 1.367 5.125 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.955 0.744 3.515 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.717 -1.113 4.506 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.964 -1.603 3.334 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.725 -2.545 4.825 1.00 0.50 H new ATOM 601 N LEU A 38 13.901 -4.331 4.788 1.00 0.27 N ATOM 602 CA LEU A 38 13.129 -5.543 4.538 1.00 0.29 C ATOM 603 C LEU A 38 13.206 -6.515 5.715 1.00 0.31 C ATOM 604 O LEU A 38 12.187 -6.976 6.213 1.00 0.40 O ATOM 605 CB LEU A 38 13.608 -6.219 3.258 1.00 0.32 C ATOM 606 CG LEU A 38 12.817 -5.860 1.998 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.390 -6.362 2.114 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.826 -4.356 1.753 1.00 0.43 C ATOM 0 H LEU A 38 14.619 -4.132 4.091 1.00 0.27 H new ATOM 0 HA LEU A 38 12.085 -5.253 4.419 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.654 -5.958 3.098 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.566 -7.299 3.399 1.00 0.32 H new ATOM 0 HG LEU A 38 13.297 -6.345 1.148 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.838 -6.100 1.211 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.394 -7.445 2.236 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.911 -5.902 2.978 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.256 -4.131 0.851 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.375 -3.846 2.604 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.853 -4.014 1.628 1.00 0.43 H new ATOM 620 N THR A 39 14.415 -6.826 6.142 1.00 0.32 N ATOM 621 CA THR A 39 14.636 -7.701 7.291 1.00 0.33 C ATOM 622 C THR A 39 13.979 -7.177 8.582 1.00 0.34 C ATOM 623 O THR A 39 13.369 -7.938 9.336 1.00 0.38 O ATOM 624 CB THR A 39 16.147 -7.884 7.534 1.00 0.33 C ATOM 625 OG1 THR A 39 16.776 -6.612 7.733 1.00 0.32 O ATOM 626 CG2 THR A 39 16.803 -8.576 6.355 1.00 0.35 C ATOM 0 H THR A 39 15.272 -6.484 5.708 1.00 0.32 H new ATOM 0 HA THR A 39 14.168 -8.655 7.048 1.00 0.33 H new ATOM 0 HB THR A 39 16.269 -8.500 8.425 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.802 -6.124 6.884 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.869 -8.694 6.549 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.350 -9.557 6.210 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.663 -7.975 5.456 1.00 0.35 H new ATOM 634 N ARG A 40 14.115 -5.882 8.823 1.00 0.34 N ATOM 635 CA ARG A 40 13.697 -5.257 10.084 1.00 0.37 C ATOM 636 C ARG A 40 12.235 -4.832 10.086 1.00 0.40 C ATOM 637 O ARG A 40 11.551 -4.963 11.105 1.00 0.47 O ATOM 638 CB ARG A 40 14.632 -4.076 10.364 1.00 0.37 C ATOM 639 CG ARG A 40 15.982 -4.522 10.903 1.00 0.63 C ATOM 640 CD ARG A 40 17.039 -3.440 10.767 1.00 0.56 C ATOM 641 NE ARG A 40 16.781 -2.294 11.631 1.00 1.16 N ATOM 642 CZ ARG A 40 17.733 -1.601 12.252 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.003 -1.980 12.161 1.00 1.62 N ATOM 644 NH2 ARG A 40 17.412 -0.540 12.978 1.00 2.31 N ATOM 0 H ARG A 40 14.518 -5.227 8.153 1.00 0.34 H new ATOM 0 HA ARG A 40 13.774 -5.995 10.882 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.780 -3.507 9.446 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.161 -3.405 11.082 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.879 -4.798 11.953 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.308 -5.415 10.369 1.00 0.63 H new ATOM 0 HD2 ARG A 40 18.016 -3.859 11.007 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.081 -3.107 9.730 1.00 0.56 H new ATOM 0 HE ARG A 40 15.812 -2.006 11.768 1.00 1.16 H new ATOM 0 HH11 ARG A 40 19.251 -2.804 11.614 1.00 1.62 H new ATOM 0 HH12 ARG A 40 19.730 -1.447 12.638 1.00 1.62 H new ATOM 0 HH21 ARG A 40 16.436 -0.255 13.061 1.00 2.31 H new ATOM 0 HH22 ARG A 40 18.141 -0.008 13.454 1.00 2.31 H new ATOM 658 N GLU A 41 11.749 -4.348 8.964 1.00 0.40 N ATOM 659 CA GLU A 41 10.383 -3.867 8.877 1.00 0.46 C ATOM 660 C GLU A 41 9.460 -4.983 8.404 1.00 0.54 C ATOM 661 O GLU A 41 8.304 -5.055 8.798 1.00 0.85 O ATOM 662 CB GLU A 41 10.309 -2.680 7.913 1.00 0.52 C ATOM 663 CG GLU A 41 11.440 -1.660 8.070 1.00 0.53 C ATOM 664 CD GLU A 41 11.659 -1.166 9.489 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.318 -1.860 10.284 1.00 1.02 O ATOM 666 OE2 GLU A 41 11.198 -0.059 9.830 1.00 1.30 O ATOM 0 H GLU A 41 12.279 -4.276 8.096 1.00 0.40 H new ATOM 0 HA GLU A 41 10.060 -3.543 9.866 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.318 -3.058 6.891 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.356 -2.171 8.057 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.366 -2.107 7.709 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.229 -0.803 7.430 1.00 0.53 H new ATOM 673 N LEU A 42 9.975 -5.896 7.600 1.00 0.40 N ATOM 674 CA LEU A 42 9.147 -6.982 7.091 1.00 0.41 C ATOM 675 C LEU A 42 9.743 -8.361 7.379 1.00 0.37 C ATOM 676 O LEU A 42 10.044 -9.119 6.450 1.00 0.36 O ATOM 677 CB LEU A 42 8.919 -6.797 5.593 1.00 0.44 C ATOM 678 CG LEU A 42 7.980 -5.648 5.228 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.130 -5.280 3.767 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.540 -6.028 5.528 1.00 0.74 C ATOM 0 H LEU A 42 10.946 -5.911 7.288 1.00 0.40 H new ATOM 0 HA LEU A 42 8.192 -6.940 7.615 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.882 -6.629 5.111 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.515 -7.723 5.184 1.00 0.44 H new ATOM 0 HG LEU A 42 8.248 -4.781 5.832 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.453 -4.460 3.527 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.157 -4.971 3.573 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.888 -6.144 3.148 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.882 -5.200 5.263 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.267 -6.908 4.946 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.436 -6.249 6.590 1.00 0.74 H new ATOM 692 N PRO A 43 9.907 -8.712 8.674 1.00 0.40 N ATOM 693 CA PRO A 43 10.368 -10.040 9.093 1.00 0.44 C ATOM 694 C PRO A 43 9.602 -11.171 8.433 1.00 0.45 C ATOM 695 O PRO A 43 10.178 -12.171 8.035 1.00 0.49 O ATOM 696 CB PRO A 43 10.073 -10.050 10.584 1.00 0.51 C ATOM 697 CG PRO A 43 10.207 -8.633 10.997 1.00 0.48 C ATOM 698 CD PRO A 43 9.694 -7.827 9.840 1.00 0.44 C ATOM 0 HA PRO A 43 11.413 -10.198 8.825 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.072 -10.430 10.788 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.773 -10.689 11.123 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.632 -8.432 11.901 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.245 -8.385 11.218 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.641 -7.574 9.964 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.237 -6.888 9.734 1.00 0.44 H new ATOM 706 N SER A 44 8.297 -11.020 8.335 1.00 0.45 N ATOM 707 CA SER A 44 7.478 -12.046 7.725 1.00 0.47 C ATOM 708 C SER A 44 7.802 -12.166 6.238 1.00 0.44 C ATOM 709 O SER A 44 8.246 -13.219 5.768 1.00 0.45 O ATOM 710 CB SER A 44 6.002 -11.722 7.933 1.00 0.51 C ATOM 711 OG SER A 44 5.162 -12.721 7.381 1.00 0.59 O ATOM 0 H SER A 44 7.784 -10.203 8.667 1.00 0.45 H new ATOM 0 HA SER A 44 7.694 -13.004 8.198 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.798 -11.624 8.999 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.773 -10.760 7.475 1.00 0.51 H new ATOM 0 HG SER A 44 4.224 -12.481 7.534 1.00 0.59 H new ATOM 717 N PHE A 45 7.656 -11.051 5.525 1.00 0.42 N ATOM 718 CA PHE A 45 7.770 -11.054 4.071 1.00 0.41 C ATOM 719 C PHE A 45 9.161 -11.483 3.620 1.00 0.42 C ATOM 720 O PHE A 45 9.317 -12.492 2.929 1.00 0.46 O ATOM 721 CB PHE A 45 7.453 -9.682 3.478 1.00 0.45 C ATOM 722 CG PHE A 45 7.339 -9.733 1.979 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.149 -10.114 1.378 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.424 -9.429 1.172 1.00 1.81 C ATOM 725 CE1 PHE A 45 6.044 -10.187 0.002 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.324 -9.498 -0.203 1.00 2.38 C ATOM 727 CZ PHE A 45 7.132 -9.878 -0.789 1.00 2.41 C ATOM 0 H PHE A 45 7.459 -10.136 5.931 1.00 0.42 H new ATOM 0 HA PHE A 45 7.039 -11.775 3.706 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.520 -9.310 3.901 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.234 -8.975 3.759 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.294 -10.356 1.992 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.359 -9.134 1.625 1.00 1.81 H new ATOM 0 HE1 PHE A 45 5.112 -10.486 -0.454 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.177 -9.255 -0.820 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.052 -9.933 -1.865 1.00 2.41 H new ATOM 737 N LEU A 46 10.167 -10.714 4.013 1.00 0.45 N ATOM 738 CA LEU A 46 11.521 -10.961 3.549 1.00 0.57 C ATOM 739 C LEU A 46 12.249 -11.906 4.482 1.00 0.65 C ATOM 740 O LEU A 46 13.121 -12.638 4.050 1.00 0.66 O ATOM 741 CB LEU A 46 12.305 -9.657 3.429 1.00 0.67 C ATOM 742 CG LEU A 46 13.091 -9.466 2.131 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.507 -9.966 2.324 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.413 -10.184 0.972 1.00 0.55 C ATOM 0 H LEU A 46 10.071 -9.921 4.647 1.00 0.45 H new ATOM 0 HA LEU A 46 11.450 -11.421 2.564 1.00 0.57 H new ATOM 0 HB2 LEU A 46 11.608 -8.826 3.534 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.002 -9.597 4.265 1.00 0.67 H new ATOM 0 HG LEU A 46 13.118 -8.405 1.885 1.00 0.57 H new ATOM 0 HD11 LEU A 46 15.070 -9.831 1.400 1.00 0.71 H new ATOM 0 HD12 LEU A 46 14.985 -9.403 3.126 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.487 -11.024 2.585 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.992 -10.032 0.061 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.352 -11.250 1.190 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.408 -9.784 0.834 1.00 0.55 H new ATOM 756 N GLY A 47 11.882 -11.899 5.757 1.00 0.74 N ATOM 757 CA GLY A 47 12.532 -12.775 6.714 1.00 0.90 C ATOM 758 C GLY A 47 12.348 -14.233 6.357 1.00 0.89 C ATOM 759 O GLY A 47 13.142 -15.084 6.758 1.00 0.99 O ATOM 0 H GLY A 47 11.149 -11.305 6.145 1.00 0.74 H new ATOM 0 HA2 GLY A 47 13.596 -12.542 6.755 1.00 0.90 H new ATOM 0 HA3 GLY A 47 12.127 -12.591 7.709 1.00 0.90 H new ATOM 763 N LYS A 48 11.292 -14.516 5.602 1.00 0.79 N ATOM 764 CA LYS A 48 11.060 -15.850 5.076 1.00 0.82 C ATOM 765 C LYS A 48 12.143 -16.232 4.059 1.00 0.78 C ATOM 766 O LYS A 48 12.455 -17.412 3.886 1.00 0.87 O ATOM 767 CB LYS A 48 9.682 -15.901 4.420 1.00 0.82 C ATOM 768 CG LYS A 48 9.176 -17.307 4.140 1.00 1.08 C ATOM 769 CD LYS A 48 7.769 -17.283 3.564 1.00 1.51 C ATOM 770 CE LYS A 48 7.201 -18.685 3.398 1.00 2.27 C ATOM 771 NZ LYS A 48 7.990 -19.501 2.438 1.00 3.17 N ATOM 0 H LYS A 48 10.581 -13.833 5.341 1.00 0.79 H new ATOM 0 HA LYS A 48 11.101 -16.565 5.898 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.966 -15.391 5.065 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.718 -15.346 3.482 1.00 0.82 H new ATOM 0 HG2 LYS A 48 9.849 -17.806 3.442 1.00 1.08 H new ATOM 0 HG3 LYS A 48 9.184 -17.889 5.062 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.118 -16.703 4.218 1.00 1.51 H new ATOM 0 HD3 LYS A 48 7.781 -16.779 2.598 1.00 1.51 H new ATOM 0 HE2 LYS A 48 7.182 -19.184 4.367 1.00 2.27 H new ATOM 0 HE3 LYS A 48 6.169 -18.619 3.053 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 7.511 -20.410 2.279 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 8.073 -18.991 1.535 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 8.939 -19.673 2.827 1.00 3.17 H new ATOM 785 N ARG A 49 12.728 -15.228 3.409 1.00 0.73 N ATOM 786 CA ARG A 49 13.735 -15.462 2.379 1.00 0.81 C ATOM 787 C ARG A 49 14.634 -14.229 2.222 1.00 0.74 C ATOM 788 O ARG A 49 14.466 -13.432 1.300 1.00 1.00 O ATOM 789 CB ARG A 49 13.040 -15.821 1.056 1.00 0.95 C ATOM 790 CG ARG A 49 13.905 -16.611 0.088 1.00 1.17 C ATOM 791 CD ARG A 49 14.799 -15.715 -0.744 1.00 1.02 C ATOM 792 NE ARG A 49 15.753 -16.490 -1.533 1.00 1.61 N ATOM 793 CZ ARG A 49 15.851 -16.439 -2.861 1.00 1.87 C ATOM 794 NH1 ARG A 49 15.045 -15.654 -3.568 1.00 2.14 N ATOM 795 NH2 ARG A 49 16.758 -17.180 -3.482 1.00 2.50 N ATOM 0 H ARG A 49 12.521 -14.244 3.578 1.00 0.73 H new ATOM 0 HA ARG A 49 14.371 -16.297 2.673 1.00 0.81 H new ATOM 0 HB2 ARG A 49 12.142 -16.398 1.276 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.716 -14.902 0.568 1.00 0.95 H new ATOM 0 HG2 ARG A 49 14.520 -17.317 0.646 1.00 1.17 H new ATOM 0 HG3 ARG A 49 13.266 -17.197 -0.572 1.00 1.17 H new ATOM 0 HD2 ARG A 49 14.187 -15.105 -1.409 1.00 1.02 H new ATOM 0 HD3 ARG A 49 15.339 -15.030 -0.090 1.00 1.02 H new ATOM 0 HE ARG A 49 16.388 -17.113 -1.033 1.00 1.61 H new ATOM 0 HH11 ARG A 49 14.344 -15.084 -3.095 1.00 2.14 H new ATOM 0 HH12 ARG A 49 15.127 -15.621 -4.584 1.00 2.14 H new ATOM 0 HH21 ARG A 49 17.377 -17.786 -2.943 1.00 2.50 H new ATOM 0 HH22 ARG A 49 16.837 -17.144 -4.498 1.00 2.50 H new ATOM 809 N THR A 50 15.589 -14.081 3.133 1.00 0.76 N ATOM 810 CA THR A 50 16.463 -12.909 3.164 1.00 0.73 C ATOM 811 C THR A 50 17.766 -13.134 2.390 1.00 0.82 C ATOM 812 O THR A 50 18.850 -12.854 2.902 1.00 1.33 O ATOM 813 CB THR A 50 16.824 -12.543 4.613 1.00 0.74 C ATOM 814 OG1 THR A 50 17.118 -13.731 5.358 1.00 0.84 O ATOM 815 CG2 THR A 50 15.696 -11.780 5.276 1.00 0.63 C ATOM 0 H THR A 50 15.780 -14.763 3.867 1.00 0.76 H new ATOM 0 HA THR A 50 15.908 -12.100 2.690 1.00 0.73 H new ATOM 0 HB THR A 50 17.705 -11.902 4.596 1.00 0.74 H new ATOM 0 HG1 THR A 50 17.349 -13.490 6.280 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.976 -11.533 6.300 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.502 -10.862 4.721 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.796 -12.395 5.285 1.00 0.63 H new ATOM 823 N ASP A 51 17.672 -13.634 1.168 1.00 0.57 N ATOM 824 CA ASP A 51 18.871 -13.939 0.388 1.00 0.62 C ATOM 825 C ASP A 51 19.340 -12.740 -0.426 1.00 0.58 C ATOM 826 O ASP A 51 18.619 -11.749 -0.562 1.00 0.55 O ATOM 827 CB ASP A 51 18.642 -15.130 -0.545 1.00 0.69 C ATOM 828 CG ASP A 51 18.729 -16.464 0.165 1.00 1.26 C ATOM 829 OD1 ASP A 51 19.848 -16.861 0.550 1.00 2.01 O ATOM 830 OD2 ASP A 51 17.688 -17.137 0.311 1.00 1.78 O ATOM 0 H ASP A 51 16.791 -13.837 0.695 1.00 0.57 H new ATOM 0 HA ASP A 51 19.649 -14.195 1.107 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.661 -15.036 -1.011 1.00 0.69 H new ATOM 0 HB3 ASP A 51 19.380 -15.103 -1.347 1.00 0.69 H new ATOM 835 N GLU A 52 20.546 -12.838 -0.975 1.00 0.67 N ATOM 836 CA GLU A 52 21.082 -11.789 -1.836 1.00 0.71 C ATOM 837 C GLU A 52 20.280 -11.708 -3.123 1.00 0.67 C ATOM 838 O GLU A 52 19.969 -10.622 -3.615 1.00 0.63 O ATOM 839 CB GLU A 52 22.553 -12.045 -2.153 1.00 0.87 C ATOM 840 CG GLU A 52 23.432 -12.087 -0.920 1.00 0.95 C ATOM 841 CD GLU A 52 24.879 -12.387 -1.243 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.166 -13.506 -1.711 1.00 1.81 O ATOM 843 OE2 GLU A 52 25.737 -11.506 -1.032 1.00 1.91 O ATOM 0 H GLU A 52 21.171 -13.633 -0.839 1.00 0.67 H new ATOM 0 HA GLU A 52 21.004 -10.840 -1.306 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.643 -12.991 -2.688 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.915 -11.264 -2.822 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.371 -11.130 -0.403 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.053 -12.845 -0.234 1.00 0.95 H new ATOM 850 N ALA A 53 19.942 -12.866 -3.660 1.00 0.71 N ATOM 851 CA ALA A 53 19.104 -12.934 -4.845 1.00 0.76 C ATOM 852 C ALA A 53 17.730 -12.342 -4.551 1.00 0.66 C ATOM 853 O ALA A 53 17.095 -11.757 -5.425 1.00 0.69 O ATOM 854 CB ALA A 53 18.977 -14.374 -5.322 1.00 0.91 C ATOM 0 H ALA A 53 20.234 -13.773 -3.295 1.00 0.71 H new ATOM 0 HA ALA A 53 19.570 -12.350 -5.639 1.00 0.76 H new ATOM 0 HB1 ALA A 53 18.346 -14.409 -6.210 1.00 0.91 H new ATOM 0 HB2 ALA A 53 19.965 -14.766 -5.563 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.528 -14.980 -4.535 1.00 0.91 H new ATOM 860 N ALA A 54 17.298 -12.475 -3.305 1.00 0.60 N ATOM 861 CA ALA A 54 15.997 -11.978 -2.881 1.00 0.59 C ATOM 862 C ALA A 54 15.922 -10.461 -2.983 1.00 0.48 C ATOM 863 O ALA A 54 15.092 -9.933 -3.717 1.00 0.46 O ATOM 864 CB ALA A 54 15.690 -12.425 -1.464 1.00 0.64 C ATOM 0 H ALA A 54 17.835 -12.927 -2.565 1.00 0.60 H new ATOM 0 HA ALA A 54 15.248 -12.398 -3.552 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.714 -12.043 -1.166 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.683 -13.514 -1.419 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.453 -12.039 -0.787 1.00 0.64 H new ATOM 870 N PHE A 55 16.793 -9.758 -2.252 1.00 0.46 N ATOM 871 CA PHE A 55 16.805 -8.296 -2.298 1.00 0.42 C ATOM 872 C PHE A 55 17.041 -7.814 -3.711 1.00 0.44 C ATOM 873 O PHE A 55 16.512 -6.801 -4.123 1.00 0.45 O ATOM 874 CB PHE A 55 17.870 -7.700 -1.362 1.00 0.44 C ATOM 875 CG PHE A 55 19.288 -7.699 -1.877 1.00 1.06 C ATOM 876 CD1 PHE A 55 19.687 -6.803 -2.856 1.00 1.87 C ATOM 877 CD2 PHE A 55 20.223 -8.586 -1.375 1.00 1.98 C ATOM 878 CE1 PHE A 55 20.978 -6.797 -3.329 1.00 2.70 C ATOM 879 CE2 PHE A 55 21.525 -8.579 -1.844 1.00 2.77 C ATOM 880 CZ PHE A 55 21.901 -7.686 -2.824 1.00 2.95 C ATOM 0 H PHE A 55 17.488 -10.172 -1.631 1.00 0.46 H new ATOM 0 HA PHE A 55 15.828 -7.955 -1.955 1.00 0.42 H new ATOM 0 HB2 PHE A 55 17.588 -6.672 -1.134 1.00 0.44 H new ATOM 0 HB3 PHE A 55 17.848 -8.253 -0.423 1.00 0.44 H new ATOM 0 HD1 PHE A 55 18.972 -6.098 -3.254 1.00 1.87 H new ATOM 0 HD2 PHE A 55 19.934 -9.291 -0.610 1.00 1.98 H new ATOM 0 HE1 PHE A 55 21.268 -6.095 -4.097 1.00 2.70 H new ATOM 0 HE2 PHE A 55 22.247 -9.274 -1.442 1.00 2.77 H new ATOM 0 HZ PHE A 55 22.915 -7.683 -3.195 1.00 2.95 H new ATOM 890 N GLN A 56 17.882 -8.537 -4.417 1.00 0.49 N ATOM 891 CA GLN A 56 18.207 -8.223 -5.805 1.00 0.54 C ATOM 892 C GLN A 56 16.950 -8.232 -6.668 1.00 0.53 C ATOM 893 O GLN A 56 16.576 -7.214 -7.251 1.00 0.57 O ATOM 894 CB GLN A 56 19.208 -9.242 -6.338 1.00 0.62 C ATOM 895 CG GLN A 56 20.159 -8.690 -7.381 1.00 0.76 C ATOM 896 CD GLN A 56 19.467 -8.216 -8.648 1.00 0.98 C ATOM 897 OE1 GLN A 56 19.223 -8.998 -9.566 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.172 -6.925 -8.719 1.00 0.87 N ATOM 0 H GLN A 56 18.363 -9.359 -4.053 1.00 0.49 H new ATOM 0 HA GLN A 56 18.645 -7.226 -5.845 1.00 0.54 H new ATOM 0 HB2 GLN A 56 19.789 -9.635 -5.504 1.00 0.62 H new ATOM 0 HB3 GLN A 56 18.661 -10.081 -6.768 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.716 -7.859 -6.949 1.00 0.76 H new ATOM 0 HG3 GLN A 56 20.886 -9.460 -7.641 1.00 0.76 H new ATOM 0 HE21 GLN A 56 19.390 -6.308 -7.936 1.00 0.87 H new ATOM 0 HE22 GLN A 56 18.727 -6.549 -9.556 1.00 0.87 H new ATOM 907 N LYS A 57 16.307 -9.387 -6.745 1.00 0.51 N ATOM 908 CA LYS A 57 15.062 -9.515 -7.494 1.00 0.52 C ATOM 909 C LYS A 57 14.026 -8.511 -7.004 1.00 0.48 C ATOM 910 O LYS A 57 13.394 -7.826 -7.804 1.00 0.48 O ATOM 911 CB LYS A 57 14.501 -10.936 -7.397 1.00 0.55 C ATOM 912 CG LYS A 57 14.727 -11.766 -8.654 1.00 0.76 C ATOM 913 CD LYS A 57 16.201 -12.054 -8.897 1.00 1.01 C ATOM 914 CE LYS A 57 16.720 -13.164 -7.992 1.00 0.87 C ATOM 915 NZ LYS A 57 16.035 -14.456 -8.252 1.00 1.60 N ATOM 0 H LYS A 57 16.624 -10.248 -6.300 1.00 0.51 H new ATOM 0 HA LYS A 57 15.286 -9.304 -8.540 1.00 0.52 H new ATOM 0 HB2 LYS A 57 14.962 -11.443 -6.549 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.431 -10.883 -7.194 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.184 -12.707 -8.568 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.315 -11.238 -9.514 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.349 -12.337 -9.939 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.781 -11.147 -8.728 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.793 -13.285 -8.144 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.576 -12.880 -6.950 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 16.632 -15.239 -7.917 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.125 -14.474 -7.748 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 15.867 -14.561 -9.273 1.00 1.60 H new ATOM 929 N LEU A 58 13.872 -8.410 -5.689 1.00 0.46 N ATOM 930 CA LEU A 58 12.924 -7.480 -5.097 1.00 0.43 C ATOM 931 C LEU A 58 13.246 -6.049 -5.512 1.00 0.43 C ATOM 932 O LEU A 58 12.352 -5.267 -5.825 1.00 0.42 O ATOM 933 CB LEU A 58 12.951 -7.597 -3.577 1.00 0.43 C ATOM 934 CG LEU A 58 11.786 -6.924 -2.864 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.470 -7.527 -3.323 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.945 -7.054 -1.362 1.00 0.41 C ATOM 0 H LEU A 58 14.395 -8.965 -5.011 1.00 0.46 H new ATOM 0 HA LEU A 58 11.926 -7.732 -5.457 1.00 0.43 H new ATOM 0 HB2 LEU A 58 12.962 -8.653 -3.308 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.882 -7.165 -3.210 1.00 0.43 H new ATOM 0 HG LEU A 58 11.782 -5.864 -3.117 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.645 -7.037 -2.806 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.360 -7.385 -4.398 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.459 -8.593 -3.095 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.106 -6.569 -0.864 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.969 -8.109 -1.089 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.875 -6.578 -1.052 1.00 0.41 H new ATOM 948 N MET A 59 14.530 -5.733 -5.525 1.00 0.46 N ATOM 949 CA MET A 59 15.021 -4.437 -5.969 1.00 0.48 C ATOM 950 C MET A 59 14.493 -4.140 -7.349 1.00 0.48 C ATOM 951 O MET A 59 13.818 -3.142 -7.567 1.00 0.49 O ATOM 952 CB MET A 59 16.558 -4.424 -5.976 1.00 0.54 C ATOM 953 CG MET A 59 17.163 -3.325 -6.843 1.00 0.57 C ATOM 954 SD MET A 59 17.445 -3.859 -8.547 1.00 1.64 S ATOM 955 CE MET A 59 16.999 -2.385 -9.456 1.00 2.39 C ATOM 0 H MET A 59 15.267 -6.372 -5.226 1.00 0.46 H new ATOM 0 HA MET A 59 14.671 -3.669 -5.279 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.915 -4.304 -4.953 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.918 -5.391 -6.328 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.499 -2.460 -6.842 1.00 0.57 H new ATOM 0 HG3 MET A 59 18.108 -3.002 -6.406 1.00 0.57 H new ATOM 0 HE1 MET A 59 17.653 -2.279 -10.321 1.00 2.39 H new ATOM 0 HE2 MET A 59 15.964 -2.463 -9.790 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.107 -1.513 -8.811 1.00 2.39 H new ATOM 965 N SER A 60 14.781 -5.041 -8.264 1.00 0.50 N ATOM 966 CA SER A 60 14.367 -4.885 -9.645 1.00 0.53 C ATOM 967 C SER A 60 12.848 -4.860 -9.758 1.00 0.52 C ATOM 968 O SER A 60 12.297 -4.346 -10.723 1.00 0.56 O ATOM 969 CB SER A 60 14.967 -5.987 -10.520 1.00 0.56 C ATOM 970 OG SER A 60 14.719 -7.275 -9.984 1.00 1.35 O ATOM 0 H SER A 60 15.304 -5.896 -8.076 1.00 0.50 H new ATOM 0 HA SER A 60 14.744 -3.928 -10.006 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.547 -5.924 -11.524 1.00 0.56 H new ATOM 0 HB3 SER A 60 16.042 -5.833 -10.614 1.00 0.56 H new ATOM 0 HG SER A 60 14.058 -7.208 -9.264 1.00 1.35 H new ATOM 976 N ASN A 61 12.170 -5.429 -8.777 1.00 0.49 N ATOM 977 CA ASN A 61 10.722 -5.452 -8.792 1.00 0.51 C ATOM 978 C ASN A 61 10.147 -4.091 -8.456 1.00 0.50 C ATOM 979 O ASN A 61 9.319 -3.547 -9.186 1.00 0.57 O ATOM 980 CB ASN A 61 10.166 -6.475 -7.794 1.00 0.49 C ATOM 981 CG ASN A 61 10.454 -7.909 -8.180 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.566 -8.238 -9.361 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.570 -8.778 -7.187 1.00 0.58 N ATOM 0 H ASN A 61 12.597 -5.878 -7.966 1.00 0.49 H new ATOM 0 HA ASN A 61 10.427 -5.735 -9.803 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.591 -6.279 -6.810 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.088 -6.339 -7.708 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.759 -9.760 -7.388 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.470 -8.465 -6.221 1.00 0.58 H new ATOM 990 N LEU A 62 10.592 -3.555 -7.340 1.00 0.44 N ATOM 991 CA LEU A 62 10.042 -2.326 -6.802 1.00 0.44 C ATOM 992 C LEU A 62 10.603 -1.142 -7.559 1.00 0.49 C ATOM 993 O LEU A 62 9.865 -0.306 -8.084 1.00 0.55 O ATOM 994 CB LEU A 62 10.407 -2.220 -5.323 1.00 0.38 C ATOM 995 CG LEU A 62 10.396 -3.547 -4.566 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.774 -3.341 -3.107 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.045 -4.238 -4.705 1.00 0.35 C ATOM 0 H LEU A 62 11.344 -3.957 -6.780 1.00 0.44 H new ATOM 0 HA LEU A 62 8.957 -2.331 -6.909 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.399 -1.777 -5.239 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.710 -1.535 -4.839 1.00 0.38 H new ATOM 0 HG LEU A 62 11.146 -4.202 -5.009 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.759 -4.300 -2.588 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.774 -2.912 -3.047 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.060 -2.664 -2.638 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.061 -5.181 -4.158 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.264 -3.595 -4.298 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.843 -4.433 -5.758 1.00 0.35 H new ATOM 1009 N ASP A 63 11.922 -1.110 -7.623 1.00 0.48 N ATOM 1010 CA ASP A 63 12.652 -0.059 -8.301 1.00 0.54 C ATOM 1011 C ASP A 63 12.337 -0.082 -9.789 1.00 0.57 C ATOM 1012 O ASP A 63 12.862 -0.898 -10.545 1.00 0.63 O ATOM 1013 CB ASP A 63 14.145 -0.257 -8.065 1.00 0.56 C ATOM 1014 CG ASP A 63 15.002 0.811 -8.707 1.00 0.67 C ATOM 1015 OD1 ASP A 63 14.447 1.765 -9.287 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.244 0.692 -8.643 1.00 1.24 O ATOM 0 H ASP A 63 12.520 -1.820 -7.201 1.00 0.48 H new ATOM 0 HA ASP A 63 12.353 0.912 -7.905 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.337 -0.270 -6.992 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.441 -1.232 -8.454 1.00 0.56 H new ATOM 1021 N SER A 64 11.472 0.819 -10.193 1.00 0.59 N ATOM 1022 CA SER A 64 10.996 0.879 -11.561 1.00 0.64 C ATOM 1023 C SER A 64 12.012 1.581 -12.451 1.00 0.66 C ATOM 1024 O SER A 64 11.963 1.475 -13.677 1.00 0.76 O ATOM 1025 CB SER A 64 9.649 1.594 -11.591 1.00 0.72 C ATOM 1026 OG SER A 64 8.772 1.025 -10.629 1.00 1.37 O ATOM 0 H SER A 64 11.076 1.534 -9.583 1.00 0.59 H new ATOM 0 HA SER A 64 10.868 -0.132 -11.947 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.787 2.655 -11.385 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.210 1.517 -12.586 1.00 0.72 H new ATOM 0 HG SER A 64 7.911 1.492 -10.655 1.00 1.37 H new ATOM 1032 N ASN A 65 12.938 2.284 -11.819 1.00 0.63 N ATOM 1033 CA ASN A 65 13.968 3.024 -12.535 1.00 0.72 C ATOM 1034 C ASN A 65 15.226 2.162 -12.693 1.00 0.69 C ATOM 1035 O ASN A 65 16.091 2.439 -13.527 1.00 0.77 O ATOM 1036 CB ASN A 65 14.257 4.335 -11.790 1.00 0.79 C ATOM 1037 CG ASN A 65 15.656 4.409 -11.217 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.550 5.021 -11.798 1.00 1.65 O ATOM 1039 ND2 ASN A 65 15.863 3.755 -10.091 1.00 1.16 N ATOM 0 H ASN A 65 12.998 2.359 -10.804 1.00 0.63 H new ATOM 0 HA ASN A 65 13.622 3.273 -13.538 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.108 5.172 -12.472 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.535 4.451 -10.981 1.00 0.79 H new ATOM 0 HD21 ASN A 65 16.792 3.745 -9.671 1.00 1.16 H new ATOM 0 HD22 ASN A 65 15.094 3.259 -9.640 1.00 1.16 H new ATOM 1046 N ARG A 66 15.278 1.101 -11.886 1.00 0.60 N ATOM 1047 CA ARG A 66 16.360 0.120 -11.891 1.00 0.60 C ATOM 1048 C ARG A 66 17.722 0.768 -11.668 1.00 0.61 C ATOM 1049 O ARG A 66 18.604 0.701 -12.522 1.00 0.69 O ATOM 1050 CB ARG A 66 16.387 -0.660 -13.192 1.00 0.67 C ATOM 1051 CG ARG A 66 15.084 -1.343 -13.572 1.00 0.71 C ATOM 1052 CD ARG A 66 14.582 -2.354 -12.544 1.00 0.71 C ATOM 1053 NE ARG A 66 13.739 -3.351 -13.205 1.00 0.78 N ATOM 1054 CZ ARG A 66 12.421 -3.223 -13.372 1.00 1.20 C ATOM 1055 NH1 ARG A 66 11.759 -2.237 -12.775 1.00 2.24 N ATOM 1056 NH2 ARG A 66 11.760 -4.108 -14.109 1.00 1.15 N ATOM 0 H ARG A 66 14.554 0.897 -11.197 1.00 0.60 H new ATOM 0 HA ARG A 66 16.161 -0.561 -11.064 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.669 0.019 -13.997 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.168 -1.417 -13.125 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.318 -0.582 -13.720 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.218 -1.850 -14.528 1.00 0.71 H new ATOM 0 HD2 ARG A 66 15.426 -2.842 -12.057 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.016 -1.844 -11.764 1.00 0.71 H new ATOM 0 HE ARG A 66 14.186 -4.196 -13.560 1.00 0.78 H new ATOM 0 HH11 ARG A 66 12.258 -1.572 -12.185 1.00 2.24 H new ATOM 0 HH12 ARG A 66 10.752 -2.146 -12.907 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.260 -4.883 -14.546 1.00 1.15 H new ATOM 0 HH22 ARG A 66 10.753 -4.013 -14.239 1.00 1.15 H new ATOM 1070 N ASP A 67 17.894 1.376 -10.516 1.00 0.58 N ATOM 1071 CA ASP A 67 19.168 1.983 -10.156 1.00 0.62 C ATOM 1072 C ASP A 67 19.687 1.345 -8.876 1.00 0.56 C ATOM 1073 O ASP A 67 20.679 1.787 -8.297 1.00 0.57 O ATOM 1074 CB ASP A 67 19.020 3.495 -9.981 1.00 0.70 C ATOM 1075 CG ASP A 67 20.344 4.224 -10.066 1.00 1.07 C ATOM 1076 OD1 ASP A 67 21.115 3.956 -11.010 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.611 5.087 -9.207 1.00 1.64 O ATOM 0 H ASP A 67 17.168 1.467 -9.805 1.00 0.58 H new ATOM 0 HA ASP A 67 19.883 1.810 -10.960 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.347 3.881 -10.747 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.557 3.702 -9.016 1.00 0.70 H new ATOM 1082 N ASN A 68 18.965 0.309 -8.437 1.00 0.53 N ATOM 1083 CA ASN A 68 19.345 -0.513 -7.284 1.00 0.51 C ATOM 1084 C ASN A 68 19.028 0.193 -5.981 1.00 0.47 C ATOM 1085 O ASN A 68 19.577 -0.137 -4.930 1.00 0.48 O ATOM 1086 CB ASN A 68 20.824 -0.919 -7.339 1.00 0.58 C ATOM 1087 CG ASN A 68 21.072 -2.100 -8.257 1.00 0.73 C ATOM 1088 OD1 ASN A 68 22.056 -2.818 -8.111 1.00 1.08 O ATOM 1089 ND2 ASN A 68 20.168 -2.321 -9.193 1.00 0.66 N ATOM 0 H ASN A 68 18.093 0.015 -8.876 1.00 0.53 H new ATOM 0 HA ASN A 68 18.751 -1.426 -7.329 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.417 -0.070 -7.678 1.00 0.58 H new ATOM 0 HB3 ASN A 68 21.166 -1.167 -6.334 1.00 0.58 H new ATOM 0 HD21 ASN A 68 20.274 -3.113 -9.828 1.00 0.66 H new ATOM 0 HD22 ASN A 68 19.363 -1.700 -9.282 1.00 0.66 H new ATOM 1096 N GLU A 69 18.128 1.162 -6.063 1.00 0.46 N ATOM 1097 CA GLU A 69 17.684 1.898 -4.896 1.00 0.42 C ATOM 1098 C GLU A 69 16.187 2.155 -5.003 1.00 0.41 C ATOM 1099 O GLU A 69 15.722 2.819 -5.929 1.00 0.44 O ATOM 1100 CB GLU A 69 18.440 3.221 -4.759 1.00 0.46 C ATOM 1101 CG GLU A 69 19.946 3.079 -4.920 1.00 0.50 C ATOM 1102 CD GLU A 69 20.694 4.374 -4.716 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.477 5.316 -5.499 1.00 1.29 O ATOM 1104 OE2 GLU A 69 21.533 4.446 -3.792 1.00 1.31 O ATOM 0 H GLU A 69 17.689 1.456 -6.936 1.00 0.46 H new ATOM 0 HA GLU A 69 17.891 1.303 -4.006 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.067 3.922 -5.506 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.226 3.653 -3.781 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.312 2.340 -4.207 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.163 2.695 -5.917 1.00 0.50 H new ATOM 1111 N VAL A 70 15.447 1.601 -4.064 1.00 0.37 N ATOM 1112 CA VAL A 70 13.982 1.714 -4.054 1.00 0.36 C ATOM 1113 C VAL A 70 13.519 3.049 -3.460 1.00 0.35 C ATOM 1114 O VAL A 70 13.961 3.429 -2.392 1.00 0.36 O ATOM 1115 CB VAL A 70 13.360 0.559 -3.244 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.878 0.792 -3.011 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.578 -0.761 -3.954 1.00 0.37 C ATOM 0 H VAL A 70 15.829 1.062 -3.287 1.00 0.37 H new ATOM 0 HA VAL A 70 13.649 1.663 -5.090 1.00 0.36 H new ATOM 0 HB VAL A 70 13.855 0.523 -2.274 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.465 -0.038 -2.437 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.738 1.721 -2.458 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.365 0.861 -3.970 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.133 -1.566 -3.370 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.111 -0.726 -4.938 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.647 -0.942 -4.066 1.00 0.37 H new ATOM 1127 N ASP A 71 12.623 3.750 -4.151 1.00 0.38 N ATOM 1128 CA ASP A 71 12.095 5.029 -3.650 1.00 0.39 C ATOM 1129 C ASP A 71 10.884 4.813 -2.738 1.00 0.37 C ATOM 1130 O ASP A 71 10.329 3.718 -2.704 1.00 0.35 O ATOM 1131 CB ASP A 71 11.717 5.962 -4.817 1.00 0.45 C ATOM 1132 CG ASP A 71 10.217 6.195 -4.954 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.558 5.420 -5.649 1.00 1.43 O ATOM 1134 OD2 ASP A 71 9.685 7.156 -4.350 1.00 1.35 O ATOM 0 H ASP A 71 12.246 3.462 -5.054 1.00 0.38 H new ATOM 0 HA ASP A 71 12.884 5.501 -3.065 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.214 6.922 -4.678 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.096 5.538 -5.747 1.00 0.45 H new ATOM 1139 N PHE A 72 10.491 5.856 -1.990 1.00 0.41 N ATOM 1140 CA PHE A 72 9.309 5.803 -1.112 1.00 0.44 C ATOM 1141 C PHE A 72 8.122 5.158 -1.815 1.00 0.40 C ATOM 1142 O PHE A 72 7.442 4.296 -1.268 1.00 0.42 O ATOM 1143 CB PHE A 72 8.875 7.210 -0.701 1.00 0.54 C ATOM 1144 CG PHE A 72 9.738 7.891 0.318 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.803 8.685 -0.072 1.00 1.70 C ATOM 1146 CD2 PHE A 72 9.451 7.777 1.669 1.00 1.69 C ATOM 1147 CE1 PHE A 72 11.569 9.347 0.866 1.00 2.17 C ATOM 1148 CE2 PHE A 72 10.214 8.440 2.611 1.00 2.18 C ATOM 1149 CZ PHE A 72 11.275 9.227 2.206 1.00 2.15 C ATOM 0 H PHE A 72 10.978 6.752 -1.975 1.00 0.41 H new ATOM 0 HA PHE A 72 9.597 5.215 -0.241 1.00 0.44 H new ATOM 0 HB2 PHE A 72 8.840 7.834 -1.594 1.00 0.54 H new ATOM 0 HB3 PHE A 72 7.859 7.156 -0.310 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.037 8.787 -1.121 1.00 1.70 H new ATOM 0 HD2 PHE A 72 8.622 7.163 1.989 1.00 1.69 H new ATOM 0 HE1 PHE A 72 12.400 9.960 0.549 1.00 2.17 H new ATOM 0 HE2 PHE A 72 9.982 8.343 3.661 1.00 2.18 H new ATOM 0 HZ PHE A 72 11.873 9.747 2.939 1.00 2.15 H new ATOM 1159 N GLN A 73 7.893 5.605 -3.032 1.00 0.38 N ATOM 1160 CA GLN A 73 6.758 5.175 -3.833 1.00 0.37 C ATOM 1161 C GLN A 73 6.931 3.738 -4.308 1.00 0.36 C ATOM 1162 O GLN A 73 6.012 2.939 -4.198 1.00 0.37 O ATOM 1163 CB GLN A 73 6.573 6.119 -5.025 1.00 0.41 C ATOM 1164 CG GLN A 73 5.555 5.641 -6.045 1.00 0.50 C ATOM 1165 CD GLN A 73 6.196 5.140 -7.326 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.667 3.905 -7.302 1.00 0.63 O flip ATOM 1167 NE2 GLN A 73 6.312 5.875 -8.305 1.00 0.41 N flip ATOM 0 H GLN A 73 8.493 6.284 -3.501 1.00 0.38 H new ATOM 0 HA GLN A 73 5.864 5.211 -3.210 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.268 7.098 -4.655 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.534 6.251 -5.522 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.956 4.842 -5.607 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.873 6.458 -6.281 1.00 0.50 H new ATOM 0 HE21 GLN A 73 5.933 6.822 -8.280 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.787 5.538 -9.142 1.00 0.41 H new ATOM 1176 N GLU A 74 8.098 3.423 -4.853 1.00 0.37 N ATOM 1177 CA GLU A 74 8.416 2.061 -5.278 1.00 0.40 C ATOM 1178 C GLU A 74 8.303 1.113 -4.091 1.00 0.38 C ATOM 1179 O GLU A 74 7.923 -0.051 -4.225 1.00 0.41 O ATOM 1180 CB GLU A 74 9.825 2.025 -5.885 1.00 0.45 C ATOM 1181 CG GLU A 74 9.954 2.917 -7.111 1.00 0.59 C ATOM 1182 CD GLU A 74 11.379 3.097 -7.602 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.297 3.250 -6.766 1.00 2.04 O ATOM 1184 OE2 GLU A 74 11.575 3.121 -8.838 1.00 2.18 O ATOM 0 H GLU A 74 8.847 4.096 -5.013 1.00 0.37 H new ATOM 0 HA GLU A 74 7.708 1.738 -6.041 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.549 2.339 -5.133 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.073 0.999 -6.158 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.354 2.496 -7.918 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.535 3.896 -6.880 1.00 0.59 H new ATOM 1191 N TYR A 75 8.606 1.652 -2.927 1.00 0.34 N ATOM 1192 CA TYR A 75 8.464 0.952 -1.670 1.00 0.37 C ATOM 1193 C TYR A 75 6.982 0.818 -1.294 1.00 0.34 C ATOM 1194 O TYR A 75 6.544 -0.210 -0.781 1.00 0.34 O ATOM 1195 CB TYR A 75 9.227 1.726 -0.595 1.00 0.43 C ATOM 1196 CG TYR A 75 9.031 1.179 0.802 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.534 -0.067 1.144 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.350 1.903 1.776 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.366 -0.580 2.412 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.181 1.395 3.053 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.690 0.152 3.365 1.00 1.84 C ATOM 1202 OH TYR A 75 8.546 -0.359 4.636 1.00 2.33 O ATOM 0 H TYR A 75 8.963 2.602 -2.828 1.00 0.34 H new ATOM 0 HA TYR A 75 8.874 -0.054 -1.758 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.290 1.712 -0.835 1.00 0.43 H new ATOM 0 HB3 TYR A 75 8.909 2.768 -0.616 1.00 0.43 H new ATOM 0 HD1 TYR A 75 10.067 -0.646 0.404 1.00 1.50 H new ATOM 0 HD2 TYR A 75 7.947 2.875 1.532 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.763 -1.554 2.659 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.654 1.969 3.800 1.00 2.09 H new ATOM 0 HH TYR A 75 7.792 -0.984 4.654 1.00 2.33 H new ATOM 1212 N SER A 76 6.214 1.864 -1.571 1.00 0.35 N ATOM 1213 CA SER A 76 4.781 1.879 -1.294 1.00 0.37 C ATOM 1214 C SER A 76 4.037 0.930 -2.233 1.00 0.36 C ATOM 1215 O SER A 76 3.011 0.350 -1.869 1.00 0.41 O ATOM 1216 CB SER A 76 4.240 3.306 -1.437 1.00 0.41 C ATOM 1217 OG SER A 76 4.851 4.176 -0.501 1.00 1.21 O ATOM 0 H SER A 76 6.564 2.724 -1.993 1.00 0.35 H new ATOM 0 HA SER A 76 4.619 1.537 -0.272 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.422 3.668 -2.449 1.00 0.41 H new ATOM 0 HB3 SER A 76 3.160 3.306 -1.288 1.00 0.41 H new ATOM 0 HG SER A 76 5.799 4.282 -0.724 1.00 1.21 H new ATOM 1223 N VAL A 77 4.579 0.766 -3.432 1.00 0.35 N ATOM 1224 CA VAL A 77 4.029 -0.153 -4.418 1.00 0.36 C ATOM 1225 C VAL A 77 4.361 -1.570 -3.995 1.00 0.33 C ATOM 1226 O VAL A 77 3.604 -2.509 -4.222 1.00 0.33 O ATOM 1227 CB VAL A 77 4.596 0.121 -5.832 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.178 -0.969 -6.806 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.140 1.481 -6.333 1.00 0.44 C ATOM 0 H VAL A 77 5.411 1.265 -3.748 1.00 0.35 H new ATOM 0 HA VAL A 77 2.949 -0.011 -4.466 1.00 0.36 H new ATOM 0 HB VAL A 77 5.684 0.120 -5.766 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.589 -0.753 -7.792 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.554 -1.931 -6.459 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.090 -1.005 -6.866 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.548 1.658 -7.328 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.051 1.506 -6.377 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.494 2.256 -5.653 1.00 0.44 H new ATOM 1239 N PHE A 78 5.505 -1.692 -3.355 1.00 0.32 N ATOM 1240 CA PHE A 78 5.946 -2.943 -2.782 1.00 0.29 C ATOM 1241 C PHE A 78 4.974 -3.419 -1.709 1.00 0.27 C ATOM 1242 O PHE A 78 4.444 -4.527 -1.779 1.00 0.28 O ATOM 1243 CB PHE A 78 7.331 -2.754 -2.176 1.00 0.27 C ATOM 1244 CG PHE A 78 7.814 -3.936 -1.394 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.620 -5.227 -1.859 1.00 1.18 C ATOM 1246 CD2 PHE A 78 8.451 -3.752 -0.184 1.00 1.22 C ATOM 1247 CE1 PHE A 78 8.056 -6.308 -1.129 1.00 1.19 C ATOM 1248 CE2 PHE A 78 8.887 -4.829 0.550 1.00 1.24 C ATOM 1249 CZ PHE A 78 8.690 -6.110 0.078 1.00 0.37 C ATOM 0 H PHE A 78 6.158 -0.920 -3.218 1.00 0.32 H new ATOM 0 HA PHE A 78 5.984 -3.698 -3.568 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.042 -2.544 -2.975 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.316 -1.880 -1.524 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.122 -5.386 -2.804 1.00 1.18 H new ATOM 0 HD2 PHE A 78 8.609 -2.751 0.190 1.00 1.22 H new ATOM 0 HE1 PHE A 78 7.902 -7.310 -1.501 1.00 1.19 H new ATOM 0 HE2 PHE A 78 9.384 -4.672 1.496 1.00 1.24 H new ATOM 0 HZ PHE A 78 9.032 -6.957 0.654 1.00 0.37 H new ATOM 1259 N LEU A 79 4.745 -2.569 -0.722 1.00 0.27 N ATOM 1260 CA LEU A 79 3.900 -2.924 0.410 1.00 0.26 C ATOM 1261 C LEU A 79 2.473 -3.220 -0.035 1.00 0.31 C ATOM 1262 O LEU A 79 1.819 -4.115 0.502 1.00 0.33 O ATOM 1263 CB LEU A 79 3.924 -1.810 1.451 1.00 0.29 C ATOM 1264 CG LEU A 79 5.326 -1.419 1.924 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.245 -0.444 3.077 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.121 -2.651 2.323 1.00 0.30 C ATOM 0 H LEU A 79 5.132 -1.626 -0.680 1.00 0.27 H new ATOM 0 HA LEU A 79 4.297 -3.834 0.861 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.435 -0.929 1.035 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.336 -2.123 2.314 1.00 0.29 H new ATOM 0 HG LEU A 79 5.842 -0.932 1.097 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.252 -0.178 3.400 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.717 0.454 2.757 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.708 -0.905 3.906 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.114 -2.351 2.656 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.608 -3.169 3.133 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.212 -3.319 1.466 1.00 0.30 H new ATOM 1278 N SER A 80 1.997 -2.486 -1.029 1.00 0.36 N ATOM 1279 CA SER A 80 0.681 -2.751 -1.583 1.00 0.47 C ATOM 1280 C SER A 80 0.692 -4.041 -2.381 1.00 0.37 C ATOM 1281 O SER A 80 -0.253 -4.810 -2.310 1.00 0.38 O ATOM 1282 CB SER A 80 0.209 -1.601 -2.457 1.00 0.66 C ATOM 1283 OG SER A 80 1.256 -1.123 -3.279 1.00 0.84 O ATOM 0 H SER A 80 2.497 -1.711 -1.464 1.00 0.36 H new ATOM 0 HA SER A 80 -0.016 -2.854 -0.751 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.624 -1.930 -3.078 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.163 -0.792 -1.829 1.00 0.66 H new ATOM 0 HG SER A 80 1.787 -0.465 -2.783 1.00 0.84 H new ATOM 1289 N SER A 81 1.763 -4.269 -3.135 1.00 0.33 N ATOM 1290 CA SER A 81 1.932 -5.519 -3.861 1.00 0.30 C ATOM 1291 C SER A 81 1.760 -6.686 -2.904 1.00 0.24 C ATOM 1292 O SER A 81 1.021 -7.623 -3.186 1.00 0.26 O ATOM 1293 CB SER A 81 3.308 -5.577 -4.535 1.00 0.37 C ATOM 1294 OG SER A 81 3.467 -6.767 -5.289 1.00 1.22 O ATOM 0 H SER A 81 2.526 -3.603 -3.258 1.00 0.33 H new ATOM 0 HA SER A 81 1.175 -5.579 -4.643 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.432 -4.712 -5.187 1.00 0.37 H new ATOM 0 HB3 SER A 81 4.089 -5.518 -3.777 1.00 0.37 H new ATOM 0 HG SER A 81 4.353 -6.773 -5.707 1.00 1.22 H new ATOM 1300 N ILE A 82 2.412 -6.594 -1.750 1.00 0.23 N ATOM 1301 CA ILE A 82 2.276 -7.604 -0.713 1.00 0.23 C ATOM 1302 C ILE A 82 0.811 -7.825 -0.364 1.00 0.27 C ATOM 1303 O ILE A 82 0.297 -8.933 -0.488 1.00 0.30 O ATOM 1304 CB ILE A 82 3.018 -7.212 0.576 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.506 -6.979 0.293 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.815 -8.296 1.628 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.306 -6.561 1.510 1.00 0.23 C ATOM 0 H ILE A 82 3.041 -5.827 -1.511 1.00 0.23 H new ATOM 0 HA ILE A 82 2.715 -8.517 -1.115 1.00 0.23 H new ATOM 0 HB ILE A 82 2.610 -6.276 0.958 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.936 -7.894 -0.115 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.604 -6.211 -0.475 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.341 -8.019 2.542 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.751 -8.403 1.839 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.208 -9.242 1.256 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.349 -6.416 1.228 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.904 -5.629 1.907 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.241 -7.338 2.272 1.00 0.23 H new ATOM 1319 N ALA A 83 0.148 -6.756 0.058 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.236 -6.833 0.504 1.00 0.36 C ATOM 1321 C ALA A 83 -2.162 -7.338 -0.606 1.00 0.37 C ATOM 1322 O ALA A 83 -3.091 -8.106 -0.348 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.683 -5.475 1.028 1.00 0.40 C ATOM 0 H ALA A 83 0.550 -5.820 0.101 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.298 -7.559 1.315 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.719 -5.537 1.361 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.050 -5.182 1.865 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.601 -4.733 0.233 1.00 0.40 H new ATOM 1329 N MET A 84 -1.890 -6.925 -1.841 1.00 0.37 N ATOM 1330 CA MET A 84 -2.664 -7.382 -2.992 1.00 0.43 C ATOM 1331 C MET A 84 -2.466 -8.874 -3.195 1.00 0.34 C ATOM 1332 O MET A 84 -3.424 -9.644 -3.156 1.00 0.37 O ATOM 1333 CB MET A 84 -2.257 -6.645 -4.276 1.00 0.64 C ATOM 1334 CG MET A 84 -2.482 -5.142 -4.227 1.00 0.44 C ATOM 1335 SD MET A 84 -2.290 -4.344 -5.838 1.00 1.00 S ATOM 1336 CE MET A 84 -0.570 -4.679 -6.200 1.00 1.26 C ATOM 0 H MET A 84 -1.139 -6.274 -2.071 1.00 0.37 H new ATOM 0 HA MET A 84 -3.713 -7.167 -2.786 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.203 -6.837 -4.474 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.819 -7.059 -5.113 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.484 -4.943 -3.846 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.779 -4.698 -3.522 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.351 -4.388 -7.227 1.00 1.26 H new ATOM 0 HE2 MET A 84 0.063 -4.110 -5.519 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.372 -5.744 -6.074 1.00 1.26 H new ATOM 1346 N MET A 85 -1.211 -9.270 -3.381 1.00 0.34 N ATOM 1347 CA MET A 85 -0.866 -10.660 -3.656 1.00 0.35 C ATOM 1348 C MET A 85 -1.352 -11.571 -2.542 1.00 0.35 C ATOM 1349 O MET A 85 -1.855 -12.663 -2.803 1.00 0.42 O ATOM 1350 CB MET A 85 0.648 -10.813 -3.829 1.00 0.39 C ATOM 1351 CG MET A 85 1.225 -9.933 -4.924 1.00 1.36 C ATOM 1352 SD MET A 85 0.553 -10.305 -6.554 1.00 2.66 S ATOM 1353 CE MET A 85 1.336 -9.027 -7.533 1.00 3.35 C ATOM 0 H MET A 85 -0.409 -8.641 -3.346 1.00 0.34 H new ATOM 0 HA MET A 85 -1.361 -10.950 -4.583 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.139 -10.575 -2.886 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.877 -11.855 -4.053 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.027 -8.888 -4.685 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.308 -10.055 -4.947 1.00 1.36 H new ATOM 0 HE1 MET A 85 1.021 -9.121 -8.572 1.00 3.35 H new ATOM 0 HE2 MET A 85 1.045 -8.048 -7.152 1.00 3.35 H new ATOM 0 HE3 MET A 85 2.419 -9.133 -7.471 1.00 3.35 H new ATOM 1363 N SER A 86 -1.209 -11.114 -1.303 1.00 0.33 N ATOM 1364 CA SER A 86 -1.661 -11.874 -0.149 1.00 0.39 C ATOM 1365 C SER A 86 -3.153 -12.183 -0.246 1.00 0.43 C ATOM 1366 O SER A 86 -3.571 -13.325 -0.052 1.00 0.57 O ATOM 1367 CB SER A 86 -1.361 -11.108 1.143 1.00 0.43 C ATOM 1368 OG SER A 86 0.030 -10.857 1.275 1.00 1.24 O ATOM 0 H SER A 86 -0.781 -10.217 -1.074 1.00 0.33 H new ATOM 0 HA SER A 86 -1.119 -12.819 -0.133 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.906 -10.164 1.145 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.713 -11.682 2.000 1.00 0.43 H new ATOM 0 HG SER A 86 0.244 -9.986 0.880 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.957 -11.181 -0.576 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.397 -11.369 -0.561 1.00 0.51 C ATOM 1376 C ASN A 87 -5.921 -11.981 -1.857 1.00 0.44 C ATOM 1377 O ASN A 87 -6.875 -12.756 -1.835 1.00 0.53 O ATOM 1378 CB ASN A 87 -6.142 -10.077 -0.287 1.00 0.69 C ATOM 1379 CG ASN A 87 -7.523 -10.380 0.247 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.753 -10.359 1.452 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -8.433 -10.738 -0.643 1.00 1.49 N ATOM 0 H ASN A 87 -3.644 -10.250 -0.851 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.586 -12.067 0.255 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.589 -9.474 0.433 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -6.218 -9.490 -1.202 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -9.367 -11.010 -0.336 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -8.201 -10.742 -1.636 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.344 -11.617 -2.989 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.723 -12.249 -4.250 1.00 0.43 C ATOM 1390 C GLU A 88 -5.423 -13.745 -4.189 1.00 0.52 C ATOM 1391 O GLU A 88 -6.083 -14.556 -4.836 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.007 -11.597 -5.433 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.375 -10.136 -5.628 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.747 -9.536 -6.869 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -3.560 -9.172 -6.816 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -5.443 -9.432 -7.903 1.00 1.49 O ATOM 0 H GLU A 88 -4.623 -10.900 -3.066 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.794 -12.109 -4.400 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.930 -11.676 -5.285 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.246 -12.149 -6.342 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.459 -10.044 -5.694 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -5.059 -9.566 -4.754 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.435 -14.101 -3.379 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.126 -15.497 -3.122 1.00 0.63 C ATOM 1405 C PHE A 89 -5.009 -16.034 -1.993 1.00 0.66 C ATOM 1406 O PHE A 89 -5.190 -17.243 -1.857 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.644 -15.659 -2.771 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.180 -17.086 -2.700 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.820 -17.766 -3.851 1.00 2.16 C ATOM 1410 CD2 PHE A 89 -2.099 -17.744 -1.484 1.00 1.71 C ATOM 1411 CE1 PHE A 89 -1.387 -19.076 -3.791 1.00 2.80 C ATOM 1412 CE2 PHE A 89 -1.670 -19.055 -1.418 1.00 2.38 C ATOM 1413 CZ PHE A 89 -1.313 -19.721 -2.573 1.00 2.70 C ATOM 0 H PHE A 89 -3.834 -13.439 -2.889 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.329 -16.073 -4.025 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.046 -15.131 -3.514 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.455 -15.179 -1.811 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -1.878 -17.266 -4.807 1.00 2.16 H new ATOM 0 HD2 PHE A 89 -2.374 -17.226 -0.577 1.00 1.71 H new ATOM 0 HE1 PHE A 89 -1.107 -19.595 -4.696 1.00 2.80 H new ATOM 0 HE2 PHE A 89 -1.614 -19.558 -0.464 1.00 2.38 H new ATOM 0 HZ PHE A 89 -0.976 -20.746 -2.524 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.569 -15.129 -1.195 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.522 -15.506 -0.158 1.00 0.68 C ATOM 1425 C PHE A 90 -7.786 -16.040 -0.821 1.00 0.68 C ATOM 1426 O PHE A 90 -8.454 -16.935 -0.299 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.836 -14.302 0.741 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.871 -14.562 1.799 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.572 -15.333 2.908 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -9.145 -14.026 1.685 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -8.522 -15.566 3.884 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -10.099 -14.256 2.656 1.00 1.64 C ATOM 1433 CZ PHE A 90 -9.787 -15.029 3.757 1.00 1.21 C ATOM 0 H PHE A 90 -5.378 -14.128 -1.248 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.094 -16.285 0.473 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.915 -13.977 1.225 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.175 -13.477 0.115 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.585 -15.758 3.012 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.394 -13.421 0.826 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -8.275 -16.168 4.746 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -11.087 -13.832 2.555 1.00 1.64 H new ATOM 0 HZ PHE A 90 -10.532 -15.213 4.517 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.099 -15.482 -1.986 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.146 -16.024 -2.837 1.00 0.72 C ATOM 1445 C GLU A 91 -8.704 -17.375 -3.366 1.00 0.77 C ATOM 1446 O GLU A 91 -9.468 -18.335 -3.416 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.402 -15.121 -4.046 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.644 -13.664 -3.722 1.00 0.92 C ATOM 1449 CD GLU A 91 -9.681 -12.812 -4.975 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.722 -12.799 -5.662 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -8.675 -12.127 -5.265 1.00 2.23 O ATOM 0 H GLU A 91 -7.639 -14.652 -2.361 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.055 -16.102 -2.241 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.547 -15.190 -4.718 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.266 -15.504 -4.589 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -10.587 -13.562 -3.184 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -8.858 -13.303 -3.059 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.442 -17.415 -3.756 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.898 -18.547 -4.468 1.00 0.82 C ATOM 1460 C GLY A 92 -6.765 -18.203 -5.928 1.00 0.81 C ATOM 1461 O GLY A 92 -5.854 -18.663 -6.617 1.00 0.92 O ATOM 0 H GLY A 92 -6.772 -16.665 -3.587 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.925 -18.816 -4.056 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.547 -19.414 -4.345 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.668 -17.338 -6.372 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.718 -16.860 -7.741 1.00 0.78 C ATOM 1467 C PHE A 93 -8.404 -15.506 -7.738 1.00 0.69 C ATOM 1468 O PHE A 93 -9.554 -15.407 -7.312 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.498 -17.821 -8.653 1.00 1.00 C ATOM 1470 CG PHE A 93 -7.812 -19.135 -8.911 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -6.731 -19.206 -9.775 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -8.255 -20.296 -8.299 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -6.103 -20.412 -10.021 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -7.630 -21.504 -8.541 1.00 3.46 C ATOM 1475 CZ PHE A 93 -6.552 -21.563 -9.403 1.00 3.91 C ATOM 0 H PHE A 93 -8.397 -16.944 -5.778 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.701 -16.791 -8.128 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -9.472 -18.017 -8.204 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -8.680 -17.328 -9.608 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -6.376 -18.309 -10.261 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -9.098 -20.256 -7.625 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -5.261 -20.455 -10.696 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -7.984 -22.402 -8.056 1.00 3.46 H new ATOM 0 HZ PHE A 93 -6.062 -22.506 -9.593 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.707 -14.446 -8.172 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.263 -13.090 -8.193 1.00 0.61 C ATOM 1487 C PRO A 94 -9.542 -13.010 -9.022 1.00 0.71 C ATOM 1488 O PRO A 94 -9.497 -12.869 -10.246 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.153 -12.245 -8.823 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.227 -13.218 -9.471 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.326 -14.480 -8.666 1.00 0.83 C ATOM 0 HA PRO A 94 -8.545 -12.750 -7.197 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.560 -11.545 -9.553 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.635 -11.653 -8.068 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -6.509 -13.394 -10.509 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.205 -12.839 -9.479 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -6.137 -15.364 -9.275 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.605 -14.496 -7.849 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.675 -13.100 -8.344 1.00 0.71 N ATOM 1500 CA ASP A 95 -11.970 -13.177 -9.009 1.00 0.88 C ATOM 1501 C ASP A 95 -12.725 -11.867 -8.876 1.00 0.84 C ATOM 1502 O ASP A 95 -13.684 -11.601 -9.603 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.791 -14.327 -8.420 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.104 -14.543 -9.145 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.086 -15.123 -10.253 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -15.159 -14.148 -8.606 1.00 2.16 O ATOM 0 H ASP A 95 -10.726 -13.122 -7.325 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.804 -13.365 -10.070 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.204 -15.244 -8.460 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -12.991 -14.123 -7.368 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.257 -11.036 -7.967 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.882 -9.749 -7.700 1.00 0.86 C ATOM 1513 C LYS A 96 -12.261 -8.694 -8.597 1.00 0.84 C ATOM 1514 O LYS A 96 -12.656 -7.527 -8.596 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.703 -9.383 -6.224 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.334 -9.755 -5.683 1.00 0.94 C ATOM 1517 CD LYS A 96 -11.170 -9.383 -4.218 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.909 -9.995 -3.637 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.705 -9.531 -4.366 1.00 1.86 N ATOM 0 H LYS A 96 -11.436 -11.229 -7.393 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.950 -9.805 -7.912 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.858 -8.311 -6.100 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.470 -9.886 -5.635 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -11.178 -10.827 -5.803 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.565 -9.253 -6.271 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -11.131 -8.298 -4.117 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -12.037 -9.725 -3.653 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.825 -9.729 -2.583 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.972 -11.082 -3.688 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.908 -9.449 -3.703 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.466 -10.215 -5.112 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.895 -8.603 -4.795 1.00 1.86 H new ATOM 1663 N SER B 3 8.450 -3.309 13.395 1.00 0.80 N ATOM 1664 CA SER B 3 7.819 -4.409 14.112 1.00 0.78 C ATOM 1665 C SER B 3 6.388 -4.669 13.554 1.00 0.65 C ATOM 1666 O SER B 3 6.132 -4.350 12.401 1.00 0.83 O ATOM 1667 CB SER B 3 7.827 -4.012 15.591 1.00 0.97 C ATOM 1668 OG SER B 3 8.997 -3.270 15.902 1.00 1.18 O ATOM 0 HA SER B 3 8.353 -5.351 13.984 1.00 0.78 H new ATOM 0 HB2 SER B 3 6.942 -3.418 15.819 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.780 -4.906 16.213 1.00 0.97 H new ATOM 0 HG SER B 3 9.338 -2.841 15.090 1.00 1.18 H new ATOM 1674 N PRO B 4 5.465 -5.349 14.277 1.00 0.67 N ATOM 1675 CA PRO B 4 4.061 -5.524 13.851 1.00 0.62 C ATOM 1676 C PRO B 4 3.423 -4.404 12.983 1.00 0.47 C ATOM 1677 O PRO B 4 2.360 -4.628 12.441 1.00 0.50 O ATOM 1678 CB PRO B 4 3.350 -5.634 15.186 1.00 0.79 C ATOM 1679 CG PRO B 4 4.287 -6.444 16.008 1.00 0.97 C ATOM 1680 CD PRO B 4 5.679 -6.066 15.561 1.00 0.88 C ATOM 0 HA PRO B 4 3.982 -6.375 13.174 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.171 -4.654 15.628 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.380 -6.120 15.086 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.150 -6.238 17.070 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.109 -7.510 15.864 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.174 -5.430 16.295 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.307 -6.946 15.426 1.00 0.88 H new ATOM 1688 N LEU B 5 4.028 -3.211 12.862 1.00 0.36 N ATOM 1689 CA LEU B 5 3.458 -2.144 12.024 1.00 0.32 C ATOM 1690 C LEU B 5 3.358 -2.555 10.562 1.00 0.30 C ATOM 1691 O LEU B 5 2.322 -2.354 9.939 1.00 0.32 O ATOM 1692 CB LEU B 5 4.265 -0.853 12.121 1.00 0.32 C ATOM 1693 CG LEU B 5 3.873 0.246 11.114 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.828 1.592 11.812 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.852 0.304 9.948 1.00 0.27 C ATOM 0 H LEU B 5 4.901 -2.963 13.328 1.00 0.36 H new ATOM 0 HA LEU B 5 2.454 -1.968 12.411 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.160 -0.453 13.129 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.319 -1.092 11.981 1.00 0.32 H new ATOM 0 HG LEU B 5 2.887 0.004 10.718 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.550 2.365 11.095 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.092 1.561 12.615 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.810 1.819 12.228 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.547 1.089 9.256 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.852 0.519 10.323 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.857 -0.655 9.429 1.00 0.27 H new ATOM 1707 N GLU B 6 4.422 -3.113 9.998 1.00 0.35 N ATOM 1708 CA GLU B 6 4.358 -3.524 8.605 1.00 0.42 C ATOM 1709 C GLU B 6 3.361 -4.671 8.458 1.00 0.34 C ATOM 1710 O GLU B 6 2.597 -4.770 7.490 1.00 0.32 O ATOM 1711 CB GLU B 6 5.718 -3.925 8.062 1.00 0.62 C ATOM 1712 CG GLU B 6 6.646 -2.747 7.813 1.00 1.80 C ATOM 1713 CD GLU B 6 6.135 -1.795 6.753 1.00 2.84 C ATOM 1714 OE1 GLU B 6 6.447 -2.005 5.563 1.00 3.32 O ATOM 1715 OE2 GLU B 6 5.429 -0.833 7.111 1.00 3.61 O ATOM 0 H GLU B 6 5.311 -3.287 10.466 1.00 0.35 H new ATOM 0 HA GLU B 6 4.024 -2.669 8.017 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.193 -4.609 8.765 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.581 -4.472 7.129 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.786 -2.200 8.746 1.00 1.80 H new ATOM 0 HG3 GLU B 6 7.625 -3.122 7.513 1.00 1.80 H new ATOM 1722 N LYS B 7 3.355 -5.532 9.458 1.00 0.35 N ATOM 1723 CA LYS B 7 2.373 -6.595 9.541 1.00 0.36 C ATOM 1724 C LYS B 7 0.990 -6.000 9.819 1.00 0.32 C ATOM 1725 O LYS B 7 -0.028 -6.643 9.606 1.00 0.35 O ATOM 1726 CB LYS B 7 2.782 -7.619 10.606 1.00 0.44 C ATOM 1727 CG LYS B 7 4.187 -8.199 10.402 1.00 0.64 C ATOM 1728 CD LYS B 7 4.276 -9.259 9.291 1.00 0.80 C ATOM 1729 CE LYS B 7 3.940 -8.713 7.909 1.00 1.78 C ATOM 1730 NZ LYS B 7 2.568 -9.095 7.477 1.00 2.82 N ATOM 0 H LYS B 7 4.024 -5.515 10.228 1.00 0.35 H new ATOM 0 HA LYS B 7 2.325 -7.123 8.589 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.733 -7.147 11.587 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.059 -8.435 10.608 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.873 -7.385 10.168 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.525 -8.642 11.339 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.284 -9.675 9.275 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.597 -10.079 9.525 1.00 0.80 H new ATOM 0 HE2 LYS B 7 4.028 -7.627 7.917 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.665 -9.086 7.186 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.348 -8.634 6.571 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 2.515 -10.127 7.362 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 1.880 -8.791 8.196 1.00 2.82 H new ATOM 1744 N ALA B 8 0.971 -4.768 10.313 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.269 -4.046 10.556 1.00 0.29 C ATOM 1746 C ALA B 8 -0.835 -3.490 9.260 1.00 0.27 C ATOM 1747 O ALA B 8 -2.034 -3.264 9.161 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.076 -2.933 11.570 1.00 0.32 C ATOM 0 H ALA B 8 1.812 -4.244 10.555 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.984 -4.757 10.971 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.022 -2.415 11.727 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.267 -3.356 12.514 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.666 -2.227 11.198 1.00 0.32 H new ATOM 1754 N LEU B 9 0.019 -3.246 8.268 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.492 -3.004 6.913 1.00 0.25 C ATOM 1756 C LEU B 9 -1.196 -4.270 6.450 1.00 0.25 C ATOM 1757 O LEU B 9 -2.204 -4.244 5.757 1.00 0.26 O ATOM 1758 CB LEU B 9 0.602 -2.665 5.895 1.00 0.26 C ATOM 1759 CG LEU B 9 1.904 -2.117 6.453 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.926 -1.991 5.341 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.701 -0.778 7.146 1.00 0.27 C ATOM 0 H LEU B 9 1.034 -3.210 8.365 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.157 -2.142 6.964 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.828 -3.566 5.325 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.199 -1.936 5.192 1.00 0.26 H new ATOM 0 HG LEU B 9 2.272 -2.817 7.203 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.858 -1.597 5.746 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.107 -2.971 4.901 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.549 -1.313 4.575 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.655 -0.419 7.531 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.303 -0.056 6.433 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.999 -0.898 7.971 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.656 -5.401 6.852 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.336 -6.674 6.603 1.00 0.28 C ATOM 1775 C ASP B 10 -2.650 -6.713 7.390 1.00 0.27 C ATOM 1776 O ASP B 10 -3.649 -7.301 6.957 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.443 -7.857 6.975 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.140 -9.196 6.826 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.786 -9.647 7.795 1.00 1.15 O ATOM 1780 OD2 ASP B 10 -1.017 -9.819 5.751 1.00 1.18 O ATOM 0 H ASP B 10 0.234 -5.476 7.344 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.555 -6.754 5.538 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.447 -7.845 6.346 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.107 -7.741 8.005 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.652 -6.049 8.539 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.855 -5.894 9.331 1.00 0.27 C ATOM 1787 C VAL B 11 -4.820 -4.923 8.648 1.00 0.27 C ATOM 1788 O VAL B 11 -6.012 -4.963 8.896 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.527 -5.410 10.762 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.791 -5.118 11.548 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.685 -6.441 11.492 1.00 0.31 C ATOM 0 H VAL B 11 -1.825 -5.608 8.941 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.333 -6.870 9.409 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.959 -4.484 10.677 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.526 -4.780 12.550 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.363 -4.340 11.042 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.393 -6.024 11.618 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.463 -6.084 12.498 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.233 -7.381 11.553 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.753 -6.599 10.950 1.00 0.31 H new ATOM 1801 N MET B 12 -4.300 -4.058 7.780 1.00 0.26 N ATOM 1802 CA MET B 12 -5.147 -3.175 6.973 1.00 0.29 C ATOM 1803 C MET B 12 -5.949 -4.015 5.983 1.00 0.29 C ATOM 1804 O MET B 12 -7.082 -3.682 5.636 1.00 0.33 O ATOM 1805 CB MET B 12 -4.306 -2.116 6.240 1.00 0.32 C ATOM 1806 CG MET B 12 -4.063 -2.404 4.761 1.00 0.98 C ATOM 1807 SD MET B 12 -2.601 -1.564 4.111 1.00 2.23 S ATOM 1808 CE MET B 12 -2.552 -2.215 2.444 1.00 2.75 C ATOM 0 H MET B 12 -3.299 -3.948 7.616 1.00 0.26 H new ATOM 0 HA MET B 12 -5.833 -2.643 7.632 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.804 -1.150 6.331 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.342 -2.027 6.742 1.00 0.32 H new ATOM 0 HG2 MET B 12 -3.951 -3.479 4.619 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.937 -2.096 4.188 1.00 0.98 H new ATOM 0 HE1 MET B 12 -1.583 -2.680 2.263 1.00 2.75 H new ATOM 0 HE2 MET B 12 -3.340 -2.958 2.320 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.703 -1.404 1.732 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.353 -5.116 5.534 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.087 -6.098 4.742 1.00 0.31 C ATOM 1820 C VAL B 13 -7.237 -6.659 5.580 1.00 0.27 C ATOM 1821 O VAL B 13 -8.359 -6.843 5.099 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.183 -7.259 4.263 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.964 -8.226 3.386 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.970 -6.732 3.513 1.00 0.42 C ATOM 0 H VAL B 13 -4.374 -5.349 5.703 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.468 -5.593 3.854 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.835 -7.795 5.146 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.308 -9.034 3.061 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.797 -8.641 3.954 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.348 -7.697 2.514 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.352 -7.569 3.188 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.299 -6.164 2.643 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.389 -6.085 4.170 1.00 0.42 H new ATOM 1834 N SER B 14 -6.951 -6.907 6.852 1.00 0.26 N ATOM 1835 CA SER B 14 -7.968 -7.362 7.792 1.00 0.26 C ATOM 1836 C SER B 14 -9.011 -6.270 8.045 1.00 0.25 C ATOM 1837 O SER B 14 -10.201 -6.559 8.179 1.00 0.25 O ATOM 1838 CB SER B 14 -7.310 -7.796 9.103 1.00 0.31 C ATOM 1839 OG SER B 14 -6.204 -8.652 8.855 1.00 1.18 O ATOM 0 H SER B 14 -6.021 -6.800 7.257 1.00 0.26 H new ATOM 0 HA SER B 14 -8.483 -8.218 7.356 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.978 -6.918 9.657 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.040 -8.310 9.728 1.00 0.31 H new ATOM 0 HG SER B 14 -5.797 -8.916 9.707 1.00 1.18 H new ATOM 1845 N THR B 15 -8.545 -5.026 8.106 1.00 0.28 N ATOM 1846 CA THR B 15 -9.406 -3.856 8.166 1.00 0.32 C ATOM 1847 C THR B 15 -10.480 -3.951 7.092 1.00 0.28 C ATOM 1848 O THR B 15 -11.674 -3.737 7.345 1.00 0.29 O ATOM 1849 CB THR B 15 -8.570 -2.576 7.939 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.708 -2.341 9.061 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.451 -1.364 7.697 1.00 0.93 C ATOM 0 H THR B 15 -7.550 -4.803 8.115 1.00 0.28 H new ATOM 0 HA THR B 15 -9.876 -3.813 9.149 1.00 0.32 H new ATOM 0 HB THR B 15 -7.966 -2.732 7.045 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.177 -3.145 9.240 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.826 -0.485 7.542 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.066 -1.532 6.813 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.095 -1.203 8.562 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.041 -4.325 5.901 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.922 -4.419 4.766 1.00 0.27 C ATOM 1861 C PHE B 16 -12.026 -5.434 5.003 1.00 0.29 C ATOM 1862 O PHE B 16 -13.195 -5.072 4.989 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.148 -4.764 3.497 1.00 0.34 C ATOM 1864 CG PHE B 16 -11.004 -4.722 2.267 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.785 -5.804 1.912 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -11.033 -3.597 1.473 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -12.579 -5.766 0.792 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -11.825 -3.554 0.347 1.00 2.34 C ATOM 1869 CZ PHE B 16 -12.599 -4.640 0.009 1.00 2.36 C ATOM 0 H PHE B 16 -9.071 -4.569 5.702 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.384 -3.441 4.633 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.319 -4.066 3.381 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.715 -5.759 3.600 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.771 -6.694 2.524 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -10.429 -2.741 1.736 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -13.186 -6.620 0.529 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -11.838 -2.668 -0.270 1.00 2.34 H new ATOM 0 HZ PHE B 16 -13.222 -4.606 -0.872 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.660 -6.696 5.246 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.664 -7.760 5.370 1.00 0.40 C ATOM 1881 C HIS B 17 -13.622 -7.478 6.523 1.00 0.36 C ATOM 1882 O HIS B 17 -14.738 -7.993 6.562 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.009 -9.150 5.514 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.393 -9.470 6.853 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -10.061 -9.798 7.003 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -11.941 -9.580 8.089 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -9.823 -10.097 8.267 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.944 -9.971 8.945 1.00 2.20 N ATOM 0 H HIS B 17 -10.694 -7.004 5.359 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.244 -7.771 4.447 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.763 -9.906 5.296 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.235 -9.243 4.752 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -12.972 -9.394 8.350 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -8.869 -10.395 8.676 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -11.053 -10.137 9.945 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.170 -6.650 7.452 1.00 0.34 N ATOM 1898 CA LYS B 18 -13.982 -6.229 8.578 1.00 0.39 C ATOM 1899 C LYS B 18 -15.156 -5.382 8.110 1.00 0.37 C ATOM 1900 O LYS B 18 -16.282 -5.546 8.581 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.113 -5.445 9.559 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.887 -4.742 10.662 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.028 -4.596 11.907 1.00 0.73 C ATOM 1904 CE LYS B 18 -11.713 -3.897 11.605 1.00 0.79 C ATOM 1905 NZ LYS B 18 -10.712 -4.114 12.684 1.00 1.28 N ATOM 0 H LYS B 18 -12.231 -6.253 7.445 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.386 -7.110 9.077 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.395 -6.127 10.014 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.540 -4.702 9.004 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.209 -3.759 10.318 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.788 -5.308 10.899 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.575 -4.031 12.662 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.828 -5.581 12.328 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.314 -4.265 10.660 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -11.889 -2.828 11.482 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -9.828 -3.622 12.442 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.082 -3.740 13.581 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.525 -5.132 12.784 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.892 -4.482 7.177 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.930 -3.597 6.677 1.00 0.29 C ATOM 1921 C TYR B 19 -16.619 -4.151 5.445 1.00 0.33 C ATOM 1922 O TYR B 19 -17.778 -3.859 5.233 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.372 -2.212 6.392 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.081 -1.427 7.640 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -13.954 -1.692 8.397 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -15.940 -0.424 8.065 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -13.688 -0.982 9.541 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -15.677 0.295 9.210 1.00 1.26 C ATOM 1929 CZ TYR B 19 -14.550 0.011 9.945 1.00 0.62 C ATOM 1930 OH TYR B 19 -14.268 0.732 11.080 1.00 0.79 O ATOM 0 H TYR B 19 -13.974 -4.346 6.753 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.682 -3.521 7.463 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.456 -2.308 5.808 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.084 -1.659 5.779 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.273 -2.469 8.083 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -16.827 -0.204 7.490 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -12.805 -1.202 10.122 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -16.351 1.076 9.528 1.00 1.26 H new ATOM 0 HH TYR B 19 -13.330 1.015 11.063 1.00 0.79 H new ATOM 1940 N SER B 20 -15.916 -4.938 4.643 1.00 0.29 N ATOM 1941 CA SER B 20 -16.505 -5.512 3.438 1.00 0.32 C ATOM 1942 C SER B 20 -17.364 -6.717 3.773 1.00 0.40 C ATOM 1943 O SER B 20 -18.142 -7.186 2.951 1.00 0.60 O ATOM 1944 CB SER B 20 -15.411 -5.920 2.462 1.00 0.35 C ATOM 1945 OG SER B 20 -14.491 -6.811 3.075 1.00 0.86 O ATOM 0 H SER B 20 -14.942 -5.194 4.802 1.00 0.29 H new ATOM 0 HA SER B 20 -17.137 -4.752 2.978 1.00 0.32 H new ATOM 0 HB2 SER B 20 -15.857 -6.395 1.588 1.00 0.35 H new ATOM 0 HB3 SER B 20 -14.884 -5.034 2.109 1.00 0.35 H new ATOM 0 HG SER B 20 -13.592 -6.647 2.722 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.204 -7.233 4.977 1.00 0.37 N ATOM 1952 CA GLY B 21 -18.005 -8.359 5.392 1.00 0.43 C ATOM 1953 C GLY B 21 -19.267 -7.926 6.105 1.00 0.41 C ATOM 1954 O GLY B 21 -19.805 -8.663 6.931 1.00 0.46 O ATOM 0 H GLY B 21 -16.538 -6.895 5.671 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.269 -8.957 4.520 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.418 -8.998 6.051 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.738 -6.725 5.800 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.924 -6.195 6.449 1.00 0.46 C ATOM 1960 C LYS B 22 -22.134 -6.243 5.521 1.00 0.52 C ATOM 1961 O LYS B 22 -23.220 -6.670 5.918 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.688 -4.760 6.904 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.404 -4.561 7.690 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.285 -3.148 8.258 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.326 -2.065 7.181 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.710 -1.759 6.730 1.00 1.08 N ATOM 0 H LYS B 22 -19.317 -6.103 5.110 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.129 -6.821 7.318 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.669 -4.111 6.028 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.530 -4.442 7.518 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.365 -5.283 8.506 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.550 -4.764 7.044 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.095 -2.978 8.967 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.352 -3.064 8.815 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.864 -1.156 7.567 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -18.732 -2.386 6.326 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.739 -0.803 6.321 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.002 -2.452 6.012 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.358 -1.808 7.542 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.940 -5.806 4.286 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.023 -5.691 3.321 1.00 0.54 C ATOM 1982 C GLU B 23 -22.549 -6.114 1.929 1.00 0.58 C ATOM 1983 O GLU B 23 -21.388 -5.934 1.583 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.520 -4.242 3.293 1.00 0.67 C ATOM 1985 CG GLU B 23 -24.709 -4.005 2.378 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.927 -4.805 2.788 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.036 -5.987 2.392 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -26.785 -4.259 3.512 1.00 1.96 O ATOM 0 H GLU B 23 -21.029 -5.522 3.925 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.839 -6.351 3.617 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -23.791 -3.944 4.306 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -22.701 -3.595 2.979 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -24.958 -2.944 2.380 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -24.434 -4.266 1.356 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.449 -6.685 1.142 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.111 -7.077 -0.214 1.00 0.85 C ATOM 1997 C GLY B 24 -22.232 -8.309 -0.272 1.00 0.79 C ATOM 1998 O GLY B 24 -22.701 -9.421 -0.031 1.00 0.92 O ATOM 0 H GLY B 24 -24.410 -6.885 1.418 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.029 -7.266 -0.771 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.602 -6.250 -0.709 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.961 -8.113 -0.595 1.00 0.71 N ATOM 2003 CA ASP B 25 -20.010 -9.215 -0.671 1.00 0.70 C ATOM 2004 C ASP B 25 -19.265 -9.351 0.642 1.00 0.73 C ATOM 2005 O ASP B 25 -19.740 -8.917 1.686 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.006 -9.016 -1.821 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.625 -9.265 -3.180 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.315 -8.369 -3.703 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -19.423 -10.365 -3.733 1.00 1.64 O ATOM 0 H ASP B 25 -20.563 -7.199 -0.809 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.573 -10.127 -0.868 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -18.614 -8.000 -1.785 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.160 -9.689 -1.681 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.124 -10.006 0.589 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.216 -10.062 1.716 1.00 0.56 C ATOM 2016 C LYS B 26 -15.852 -9.532 1.279 1.00 0.49 C ATOM 2017 O LYS B 26 -14.967 -9.260 2.092 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.111 -11.507 2.220 1.00 0.71 C ATOM 2019 CG LYS B 26 -15.899 -11.767 3.093 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.081 -11.252 4.518 1.00 0.70 C ATOM 2021 CE LYS B 26 -16.620 -12.331 5.452 1.00 0.94 C ATOM 2022 NZ LYS B 26 -17.987 -12.781 5.078 1.00 1.56 N ATOM 0 H LYS B 26 -17.800 -10.514 -0.234 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.588 -9.444 2.533 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.011 -11.751 2.784 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.080 -12.179 1.362 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -15.699 -12.838 3.121 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -15.026 -11.291 2.647 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -15.126 -10.889 4.897 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -16.765 -10.403 4.512 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -15.944 -13.186 5.441 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -16.634 -11.949 6.473 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -18.412 -13.298 5.874 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -18.574 -11.954 4.850 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -17.932 -13.406 4.249 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.713 -9.336 -0.021 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.429 -9.017 -0.614 1.00 0.43 C ATOM 2038 C PHE B 27 -14.467 -7.660 -1.289 1.00 0.39 C ATOM 2039 O PHE B 27 -13.522 -7.280 -1.982 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.030 -10.086 -1.640 1.00 0.49 C ATOM 2041 CG PHE B 27 -13.561 -11.386 -1.043 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -14.432 -12.209 -0.347 1.00 1.28 C ATOM 2043 CD2 PHE B 27 -12.243 -11.788 -1.189 1.00 1.76 C ATOM 2044 CE1 PHE B 27 -13.998 -13.403 0.195 1.00 1.59 C ATOM 2045 CE2 PHE B 27 -11.804 -12.981 -0.651 1.00 2.08 C ATOM 2046 CZ PHE B 27 -12.682 -13.789 0.041 1.00 1.65 C ATOM 0 H PHE B 27 -16.481 -9.393 -0.689 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.690 -8.992 0.187 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.884 -10.286 -2.287 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.238 -9.685 -2.273 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -15.464 -11.913 -0.227 1.00 1.28 H new ATOM 0 HD2 PHE B 27 -11.551 -11.160 -1.730 1.00 1.76 H new ATOM 0 HE1 PHE B 27 -14.687 -14.033 0.738 1.00 1.59 H new ATOM 0 HE2 PHE B 27 -10.774 -13.282 -0.772 1.00 2.08 H new ATOM 0 HZ PHE B 27 -12.340 -14.723 0.462 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.550 -6.926 -1.076 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.739 -5.647 -1.732 1.00 0.36 C ATOM 2058 C LYS B 28 -16.542 -4.703 -0.868 1.00 0.34 C ATOM 2059 O LYS B 28 -17.575 -5.072 -0.323 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.439 -5.808 -3.079 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.586 -6.473 -4.136 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.653 -5.698 -5.434 1.00 0.56 C ATOM 2063 CE LYS B 28 -14.584 -6.149 -6.418 1.00 0.86 C ATOM 2064 NZ LYS B 28 -14.167 -5.053 -7.342 1.00 1.70 N ATOM 0 H LYS B 28 -16.310 -7.198 -0.453 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.746 -5.228 -1.896 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.348 -6.393 -2.938 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.745 -4.826 -3.438 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.553 -6.533 -3.794 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.928 -7.495 -4.298 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -16.638 -5.826 -5.883 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -15.532 -4.634 -5.229 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -13.714 -6.508 -5.867 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -14.961 -6.989 -7.001 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -13.715 -5.462 -8.184 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -15.003 -4.505 -7.630 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -13.493 -4.427 -6.857 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.050 -3.486 -0.783 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.696 -2.427 -0.056 1.00 0.28 C ATOM 2080 C LEU B 29 -17.638 -1.683 -0.971 1.00 0.30 C ATOM 2081 O LEU B 29 -17.204 -0.936 -1.852 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.653 -1.441 0.464 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.623 -2.003 1.421 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.475 -1.027 1.527 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.236 -2.249 2.784 1.00 0.25 C ATOM 0 H LEU B 29 -15.175 -3.205 -1.226 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.246 -2.862 0.778 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.129 -1.013 -0.391 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.173 -0.622 0.962 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.260 -2.959 1.043 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.725 -1.420 2.214 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -13.027 -0.884 0.544 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.843 -0.071 1.900 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.479 -2.653 3.456 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.615 -1.310 3.187 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.056 -2.962 2.691 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.916 -1.877 -0.760 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.919 -1.088 -1.444 1.00 0.35 C ATOM 2099 C ASN B 30 -19.925 0.289 -0.832 1.00 0.32 C ATOM 2100 O ASN B 30 -19.245 0.511 0.165 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.288 -1.758 -1.354 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.590 -2.261 0.039 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -21.008 -3.401 0.378 1.00 0.55 O flip ATOM 2104 ND2 ASN B 30 -22.303 -1.619 0.813 1.00 0.42 N flip ATOM 0 H ASN B 30 -19.291 -2.576 -0.119 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.684 -1.009 -2.505 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -22.058 -1.048 -1.656 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.329 -2.591 -2.056 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -22.731 -0.745 0.507 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -22.465 -1.962 1.760 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.668 1.209 -1.418 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.575 2.609 -1.030 1.00 0.34 C ATOM 2113 C LYS B 31 -20.667 2.792 0.484 1.00 0.31 C ATOM 2114 O LYS B 31 -19.915 3.572 1.058 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.691 3.432 -1.647 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.705 3.524 -3.154 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.839 4.439 -3.581 1.00 0.71 C ATOM 2118 CE LYS B 31 -22.969 4.537 -5.085 1.00 1.15 C ATOM 2119 NZ LYS B 31 -23.655 3.351 -5.658 1.00 1.99 N ATOM 0 H LYS B 31 -21.340 1.017 -2.161 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.603 2.948 -1.389 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.644 3.014 -1.322 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.633 4.443 -1.244 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.752 3.910 -3.517 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.835 2.534 -3.591 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.776 4.071 -3.162 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.674 5.434 -3.168 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -23.525 5.438 -5.344 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -21.979 4.634 -5.530 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -23.212 3.098 -6.564 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.575 2.551 -4.998 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -24.659 3.572 -5.814 1.00 1.99 H new ATOM 2133 N SER B 32 -21.604 2.084 1.113 1.00 0.34 N ATOM 2134 CA SER B 32 -21.792 2.178 2.557 1.00 0.37 C ATOM 2135 C SER B 32 -20.508 1.793 3.273 1.00 0.34 C ATOM 2136 O SER B 32 -19.982 2.549 4.085 1.00 0.37 O ATOM 2137 CB SER B 32 -22.939 1.267 3.017 1.00 0.45 C ATOM 2138 OG SER B 32 -23.165 1.385 4.419 1.00 1.33 O ATOM 0 H SER B 32 -22.243 1.441 0.645 1.00 0.34 H new ATOM 0 HA SER B 32 -22.048 3.208 2.804 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.850 1.525 2.477 1.00 0.45 H new ATOM 0 HB3 SER B 32 -22.705 0.231 2.770 1.00 0.45 H new ATOM 0 HG SER B 32 -22.405 1.004 4.906 1.00 1.33 H new ATOM 2144 N GLU B 33 -19.999 0.623 2.932 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.793 0.101 3.542 1.00 0.34 C ATOM 2146 C GLU B 33 -17.599 0.984 3.210 1.00 0.30 C ATOM 2147 O GLU B 33 -16.738 1.212 4.056 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.556 -1.314 3.051 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.718 -2.244 3.330 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.410 -3.659 2.917 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.791 -3.837 1.856 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -19.793 -4.588 3.652 1.00 2.32 O ATOM 0 H GLU B 33 -20.409 0.011 2.227 1.00 0.32 H new ATOM 0 HA GLU B 33 -18.915 0.093 4.625 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.366 -1.292 1.978 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.659 -1.711 3.526 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -19.957 -2.219 4.393 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.601 -1.893 2.796 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.563 1.475 1.977 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.536 2.403 1.542 1.00 0.33 C ATOM 2161 C LEU B 34 -16.544 3.639 2.437 1.00 0.29 C ATOM 2162 O LEU B 34 -15.518 4.006 3.003 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.780 2.795 0.083 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.663 3.594 -0.582 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.414 2.741 -0.708 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.116 4.094 -1.947 1.00 0.54 C ATOM 0 H LEU B 34 -18.244 1.240 1.255 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.559 1.925 1.617 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.946 1.886 -0.496 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.699 3.378 0.031 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.427 4.458 0.039 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.624 3.321 -1.184 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.087 2.426 0.283 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.633 1.862 -1.314 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.311 4.663 -2.412 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.372 3.244 -2.579 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.990 4.734 -1.828 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.715 4.266 2.568 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.896 5.396 3.481 1.00 0.29 C ATOM 2180 C LYS B 35 -17.370 5.080 4.873 1.00 0.29 C ATOM 2181 O LYS B 35 -16.480 5.759 5.383 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.375 5.753 3.624 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.973 6.504 2.454 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.479 6.631 2.625 1.00 0.51 C ATOM 2185 CE LYS B 35 -22.085 7.639 1.667 1.00 0.70 C ATOM 2186 NZ LYS B 35 -23.552 7.775 1.863 1.00 1.29 N ATOM 0 H LYS B 35 -18.555 4.009 2.051 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.340 6.229 3.051 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.941 4.834 3.773 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.502 6.355 4.524 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.523 7.494 2.380 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.748 5.982 1.524 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.944 5.658 2.466 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.702 6.928 3.650 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.608 8.609 1.810 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.882 7.332 0.641 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.929 8.473 1.190 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -24.010 6.856 1.702 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.745 8.092 2.835 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.935 4.044 5.478 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.641 3.702 6.862 1.00 0.32 C ATOM 2202 C GLU B 36 -16.175 3.416 7.057 1.00 0.31 C ATOM 2203 O GLU B 36 -15.556 3.934 7.976 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.467 2.502 7.296 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.941 2.736 7.100 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.784 1.512 7.390 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.057 1.239 8.581 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.179 0.815 6.430 1.00 1.31 O ATOM 0 H GLU B 36 -18.605 3.421 5.027 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.904 4.561 7.480 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.160 1.625 6.727 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.270 2.286 8.346 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.262 3.552 7.748 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.118 3.056 6.073 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.621 2.599 6.189 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.218 2.278 6.266 1.00 0.26 C ATOM 2217 C LEU B 37 -13.381 3.546 6.110 1.00 0.27 C ATOM 2218 O LEU B 37 -12.542 3.834 6.940 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.859 1.244 5.199 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.457 0.655 5.314 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.423 -0.755 4.754 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.454 1.538 4.597 1.00 0.50 C ATOM 0 H LEU B 37 -16.122 2.147 5.424 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.000 1.847 7.243 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.583 0.430 5.246 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.962 1.707 4.218 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.186 0.610 6.369 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.414 -1.158 4.845 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.117 -1.384 5.311 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.713 -0.736 3.703 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.458 1.105 4.688 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.723 1.613 3.543 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.459 2.532 5.044 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.637 4.317 5.070 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.868 5.532 4.827 1.00 0.29 C ATOM 2236 C LEU B 38 -12.928 6.487 6.019 1.00 0.30 C ATOM 2237 O LEU B 38 -11.902 6.946 6.506 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.367 6.228 3.565 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.595 5.890 2.288 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.167 6.392 2.390 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.606 4.392 2.019 1.00 0.43 C ATOM 0 H LEU B 38 -14.366 4.129 4.382 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.826 5.243 4.688 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.415 5.969 3.416 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.324 7.306 3.722 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.089 6.388 1.454 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.628 6.145 1.475 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.170 7.473 2.529 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.675 5.919 3.240 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.050 4.182 1.105 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.141 3.869 2.855 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.635 4.051 1.904 1.00 0.43 H new ATOM 2253 N THR B 39 -14.132 6.788 6.470 1.00 0.31 N ATOM 2254 CA THR B 39 -14.335 7.645 7.636 1.00 0.33 C ATOM 2255 C THR B 39 -13.655 7.098 8.906 1.00 0.34 C ATOM 2256 O THR B 39 -13.023 7.844 9.655 1.00 0.38 O ATOM 2257 CB THR B 39 -15.845 7.821 7.908 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.471 6.545 8.095 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.520 8.535 6.752 1.00 0.34 C ATOM 0 H THR B 39 -14.996 6.450 6.045 1.00 0.31 H new ATOM 0 HA THR B 39 -13.874 8.604 7.401 1.00 0.33 H new ATOM 0 HB THR B 39 -15.953 8.419 8.813 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.524 6.078 7.235 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.583 8.648 6.965 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.070 9.519 6.619 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.393 7.952 5.840 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.792 5.801 9.132 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.354 5.158 10.376 1.00 0.36 C ATOM 2269 C ARG B 40 -11.891 4.734 10.350 1.00 0.40 C ATOM 2270 O ARG B 40 -11.192 4.844 11.358 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.283 3.971 10.655 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.624 4.409 11.220 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.683 3.331 11.085 1.00 0.56 C ATOM 2274 NE ARG B 40 -16.411 2.170 11.923 1.00 1.16 N ATOM 2275 CZ ARG B 40 -17.350 1.472 12.554 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -18.622 1.846 12.482 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -17.015 0.401 13.258 1.00 2.31 N ATOM 0 H ARG B 40 -14.210 5.157 8.461 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.420 5.886 11.185 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.444 3.414 9.732 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.800 3.291 11.357 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.505 4.670 12.272 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.957 5.310 10.704 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -17.655 3.747 11.351 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.745 3.016 10.043 1.00 0.56 H new ATOM 0 HE ARG B 40 -15.441 1.875 12.032 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.881 2.671 11.941 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -19.340 1.308 12.967 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -16.038 0.113 13.315 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -17.734 -0.136 13.743 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.423 4.270 9.212 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.060 3.792 9.097 1.00 0.46 C ATOM 2293 C GLU B 41 -9.142 4.915 8.627 1.00 0.54 C ATOM 2294 O GLU B 41 -7.980 4.976 9.000 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.999 2.620 8.112 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.127 1.597 8.269 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.322 1.077 9.682 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.968 1.754 10.502 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -10.853 -0.033 9.995 1.00 1.30 O ATOM 0 H GLU B 41 -11.966 4.213 8.351 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.724 3.453 10.077 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.023 3.014 7.096 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.044 2.110 8.234 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.059 2.050 7.932 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -10.927 0.752 7.610 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.669 5.842 7.846 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.848 6.935 7.343 1.00 0.41 C ATOM 2308 C LEU B 42 -9.440 8.311 7.663 1.00 0.37 C ATOM 2309 O LEU B 42 -9.754 9.085 6.752 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.643 6.775 5.838 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.712 5.631 5.441 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.883 5.288 3.977 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.267 6.007 5.724 1.00 0.74 C ATOM 0 H LEU B 42 -10.645 5.863 7.549 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.885 6.884 7.852 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.613 6.616 5.367 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.243 7.707 5.438 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.972 4.755 6.035 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.211 4.471 3.714 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -8.913 4.984 3.792 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.648 6.161 3.369 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.614 5.183 5.437 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.003 6.896 5.151 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.146 6.212 6.788 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.583 8.640 8.967 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.039 9.961 9.416 1.00 0.43 C ATOM 2327 C PRO B 43 -9.285 11.103 8.760 1.00 0.45 C ATOM 2328 O PRO B 43 -9.868 12.109 8.386 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.720 9.948 10.902 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.846 8.523 11.295 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.353 7.736 10.114 1.00 0.44 C ATOM 0 HA PRO B 43 -11.088 10.122 9.169 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.716 10.326 11.096 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.412 10.577 11.462 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.254 8.308 12.185 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.880 8.271 11.531 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.299 7.480 10.216 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.899 6.800 10.001 1.00 0.44 H new ATOM 2339 N SER B 44 -7.981 10.952 8.637 1.00 0.45 N ATOM 2340 CA SER B 44 -7.173 11.986 8.033 1.00 0.47 C ATOM 2341 C SER B 44 -7.518 12.131 6.554 1.00 0.44 C ATOM 2342 O SER B 44 -7.958 13.198 6.107 1.00 0.45 O ATOM 2343 CB SER B 44 -5.694 11.660 8.208 1.00 0.51 C ATOM 2344 OG SER B 44 -4.867 12.661 7.641 1.00 0.59 O ATOM 0 H SER B 44 -7.464 10.129 8.946 1.00 0.45 H new ATOM 0 HA SER B 44 -7.383 12.934 8.529 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.467 11.558 9.269 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.475 10.700 7.741 1.00 0.51 H new ATOM 0 HG SER B 44 -3.926 12.421 7.773 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.387 11.027 5.820 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.524 11.054 4.368 1.00 0.41 C ATOM 2352 C PHE B 45 -8.922 11.488 3.947 1.00 0.41 C ATOM 2353 O PHE B 45 -9.093 12.509 3.280 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.213 9.693 3.748 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.120 9.767 2.248 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -5.940 10.158 1.636 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -8.217 9.475 1.452 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -5.854 10.254 0.259 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -8.136 9.566 0.075 1.00 2.37 C ATOM 2360 CZ PHE B 45 -6.954 9.957 -0.522 1.00 2.40 C ATOM 0 H PHE B 45 -7.187 10.105 6.208 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.800 11.783 4.003 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.273 9.317 4.152 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -7.989 8.981 4.029 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.077 10.391 2.242 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -9.146 9.173 1.913 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -4.928 10.561 -0.205 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -8.997 9.331 -0.534 1.00 2.37 H new ATOM 0 HZ PHE B 45 -6.890 10.030 -1.598 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.920 10.712 4.342 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.280 10.964 3.903 1.00 0.57 C ATOM 2372 C LEU B 46 -11.993 11.894 4.860 1.00 0.65 C ATOM 2373 O LEU B 46 -12.872 12.633 4.452 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.065 9.662 3.772 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.871 9.492 2.484 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -14.282 9.989 2.706 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -12.208 10.229 1.329 1.00 0.54 C ATOM 0 H LEU B 46 -9.813 9.909 4.961 1.00 0.45 H new ATOM 0 HA LEU B 46 -11.224 11.439 2.924 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.366 8.830 3.852 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.749 9.586 4.618 1.00 0.67 H new ATOM 0 HG LEU B 46 -12.905 8.435 2.220 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -14.859 9.869 1.789 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -14.749 9.414 3.506 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.257 11.043 2.983 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -12.799 10.093 0.424 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.143 11.291 1.565 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -11.206 9.831 1.171 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.606 11.868 6.130 1.00 0.74 N ATOM 2390 CA GLY B 47 -12.243 12.728 7.111 1.00 0.90 C ATOM 2391 C GLY B 47 -12.062 14.192 6.776 1.00 0.89 C ATOM 2392 O GLY B 47 -12.847 15.039 7.207 1.00 0.99 O ATOM 0 H GLY B 47 -10.866 11.270 6.497 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -13.307 12.496 7.162 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -11.825 12.526 8.097 1.00 0.90 H new ATOM 2396 N LYS B 48 -11.017 14.485 6.009 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.791 15.828 5.498 1.00 0.82 C ATOM 2398 C LYS B 48 -11.888 16.225 4.505 1.00 0.78 C ATOM 2399 O LYS B 48 -12.208 17.406 4.362 1.00 0.87 O ATOM 2400 CB LYS B 48 -9.425 15.888 4.820 1.00 0.81 C ATOM 2401 CG LYS B 48 -8.922 17.298 4.558 1.00 1.08 C ATOM 2402 CD LYS B 48 -7.526 17.283 3.956 1.00 1.51 C ATOM 2403 CE LYS B 48 -6.960 18.687 3.803 1.00 2.27 C ATOM 2404 NZ LYS B 48 -7.767 19.520 2.877 1.00 3.17 N ATOM 0 H LYS B 48 -10.311 13.805 5.728 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.818 16.530 6.331 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.699 15.365 5.443 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.478 15.351 3.873 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -9.606 17.811 3.882 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -8.912 17.862 5.491 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -6.864 16.691 4.588 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -7.556 16.795 2.982 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -6.919 19.169 4.780 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -5.936 18.626 3.435 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -7.281 20.425 2.711 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -7.885 19.019 1.973 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -8.701 19.701 3.297 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.482 15.234 3.843 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.506 15.483 2.833 1.00 0.81 C ATOM 2420 C ARG B 49 -14.408 14.254 2.670 1.00 0.74 C ATOM 2421 O ARG B 49 -14.251 13.470 1.735 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.833 15.865 1.506 1.00 0.95 C ATOM 2423 CG ARG B 49 -13.716 16.670 0.564 1.00 1.17 C ATOM 2424 CD ARG B 49 -14.624 15.787 -0.268 1.00 1.01 C ATOM 2425 NE ARG B 49 -15.591 16.572 -1.029 1.00 1.61 N ATOM 2426 CZ ARG B 49 -15.706 16.546 -2.355 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -14.910 15.772 -3.087 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -16.621 17.298 -2.952 1.00 2.50 N ATOM 0 H ARG B 49 -12.270 14.247 3.990 1.00 0.73 H new ATOM 0 HA ARG B 49 -14.138 16.312 3.152 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -11.933 16.440 1.721 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -12.516 14.954 0.998 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -14.322 17.366 1.144 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -13.088 17.267 -0.097 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -14.022 15.188 -0.952 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -15.152 15.091 0.384 1.00 1.01 H new ATOM 0 HE ARG B 49 -16.222 17.182 -0.509 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -14.204 15.192 -2.633 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -15.005 15.758 -4.102 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -17.234 17.894 -2.395 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -16.712 17.281 -3.968 1.00 2.50 H new ATOM 2442 N THR B 50 -15.352 14.096 3.593 1.00 0.75 N ATOM 2443 CA THR B 50 -16.228 12.926 3.622 1.00 0.72 C ATOM 2444 C THR B 50 -17.543 13.163 2.874 1.00 0.82 C ATOM 2445 O THR B 50 -18.618 12.874 3.399 1.00 1.33 O ATOM 2446 CB THR B 50 -16.564 12.541 5.072 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.838 13.719 5.842 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.428 11.761 5.701 1.00 0.63 C ATOM 0 H THR B 50 -15.532 14.769 4.338 1.00 0.75 H new ATOM 0 HA THR B 50 -15.683 12.123 3.126 1.00 0.72 H new ATOM 0 HB THR B 50 -17.450 11.906 5.062 1.00 0.73 H new ATOM 0 HG1 THR B 50 -17.053 13.465 6.764 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.690 11.500 6.726 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.251 10.850 5.129 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.524 12.370 5.701 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.468 13.681 1.658 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.680 13.996 0.901 1.00 0.61 C ATOM 2458 C ASP B 51 -19.159 12.808 0.078 1.00 0.58 C ATOM 2459 O ASP B 51 -18.440 11.816 -0.075 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.464 15.197 -0.025 1.00 0.68 C ATOM 2461 CG ASP B 51 -18.530 16.524 0.700 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -19.635 16.923 1.120 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -17.482 17.184 0.836 1.00 1.77 O ATOM 0 H ASP B 51 -16.595 13.892 1.175 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.446 14.244 1.636 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.493 15.103 -0.512 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -19.218 15.182 -0.812 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.369 12.913 -0.458 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.914 11.874 -1.323 1.00 0.71 C ATOM 2470 C GLU B 52 -20.127 11.813 -2.622 1.00 0.66 C ATOM 2471 O GLU B 52 -19.802 10.736 -3.120 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.389 12.132 -1.616 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.251 12.152 -0.371 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.706 12.439 -0.674 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.011 13.562 -1.129 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -25.550 11.540 -0.468 1.00 1.90 O ATOM 0 H GLU B 52 -20.991 13.707 -0.309 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.829 10.917 -0.808 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.488 13.086 -2.134 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.758 11.362 -2.293 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.172 11.190 0.136 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.871 12.907 0.317 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.806 12.980 -3.151 1.00 0.71 N ATOM 2484 CA ALA B 53 -18.985 13.067 -4.347 1.00 0.76 C ATOM 2485 C ALA B 53 -17.603 12.475 -4.084 1.00 0.66 C ATOM 2486 O ALA B 53 -16.975 11.913 -4.977 1.00 0.68 O ATOM 2487 CB ALA B 53 -18.867 14.514 -4.804 1.00 0.91 C ATOM 0 H ALA B 53 -20.101 13.880 -2.772 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.462 12.493 -5.141 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -18.249 14.563 -5.701 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -19.859 14.908 -5.025 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.408 15.109 -4.014 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.156 12.588 -2.842 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.849 12.085 -2.443 1.00 0.58 C ATOM 2495 C ALA B 54 -15.774 10.571 -2.570 1.00 0.48 C ATOM 2496 O ALA B 54 -14.949 10.060 -3.324 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.523 12.509 -1.023 1.00 0.64 C ATOM 0 H ALA B 54 -17.684 13.027 -2.088 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.110 12.517 -3.118 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.542 12.123 -0.744 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.516 13.597 -0.961 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.276 12.112 -0.343 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.636 9.855 -1.840 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.646 8.393 -1.908 1.00 0.42 C ATOM 2505 C PHE B 55 -16.905 7.933 -3.324 1.00 0.44 C ATOM 2506 O PHE B 55 -16.385 6.924 -3.758 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.696 7.781 -0.964 1.00 0.43 C ATOM 2508 CG PHE B 55 -19.123 7.787 -1.459 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -19.536 6.905 -2.445 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -20.050 8.666 -0.930 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -20.833 6.908 -2.898 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -21.358 8.666 -1.380 1.00 2.77 C ATOM 2513 CZ PHE B 55 -21.749 7.788 -2.367 1.00 2.95 C ATOM 0 H PHE B 55 -17.325 10.258 -1.205 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.663 8.049 -1.586 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -17.410 6.750 -0.756 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.660 8.319 -0.017 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -18.828 6.205 -2.863 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -19.750 9.359 -0.158 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -21.135 6.218 -3.672 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -22.074 9.355 -0.957 1.00 2.77 H new ATOM 0 HZ PHE B 55 -22.769 7.790 -2.722 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.757 8.666 -4.006 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.104 8.374 -5.392 1.00 0.54 C ATOM 2525 C GLN B 56 -16.860 8.397 -6.273 1.00 0.53 C ATOM 2526 O GLN B 56 -16.497 7.390 -6.879 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.115 9.399 -5.893 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.085 8.861 -6.926 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.418 8.411 -8.214 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -19.201 9.212 -9.123 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.113 7.126 -8.310 1.00 0.87 N ATOM 0 H GLN B 56 -18.232 9.483 -3.622 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.543 7.377 -5.441 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -19.681 9.780 -5.043 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.577 10.244 -6.322 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.630 8.020 -6.497 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -20.820 9.632 -7.158 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -19.310 6.496 -7.533 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -18.681 6.767 -9.161 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.220 9.553 -6.344 1.00 0.51 N ATOM 2541 CA LYS B 57 -14.985 9.695 -7.109 1.00 0.51 C ATOM 2542 C LYS B 57 -13.939 8.685 -6.651 1.00 0.47 C ATOM 2543 O LYS B 57 -13.315 8.018 -7.472 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.425 11.115 -6.999 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.667 11.964 -8.240 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.144 12.255 -8.455 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.646 13.352 -7.528 1.00 0.86 C ATOM 2548 NZ LYS B 57 -15.959 14.646 -7.776 1.00 1.60 N ATOM 0 H LYS B 57 -16.532 10.408 -5.883 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.225 9.499 -8.154 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.876 11.609 -6.138 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.353 11.060 -6.810 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.123 12.904 -8.148 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.268 11.449 -9.114 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.309 12.551 -9.491 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.721 11.346 -8.288 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.720 13.479 -7.665 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.490 13.051 -6.492 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -16.549 15.426 -7.421 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -15.043 14.653 -7.283 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -15.803 14.766 -8.797 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.772 8.558 -5.340 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.812 7.621 -4.778 1.00 0.43 C ATOM 2564 C LEU B 58 -13.139 6.198 -5.208 1.00 0.42 C ATOM 2565 O LEU B 58 -12.251 5.420 -5.542 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.814 7.716 -3.255 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.638 7.031 -2.572 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.329 7.644 -3.041 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.771 7.141 -1.066 1.00 0.40 C ATOM 0 H LEU B 58 -14.292 9.095 -4.646 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.821 7.879 -5.150 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.819 8.768 -2.970 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.739 7.280 -2.879 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.640 5.975 -2.842 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.496 7.146 -2.545 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.236 7.521 -4.120 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.315 8.706 -2.794 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.924 6.647 -0.589 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.788 8.192 -0.778 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.697 6.663 -0.747 1.00 0.40 H new ATOM 2581 N MET B 59 -14.424 5.883 -5.208 1.00 0.45 N ATOM 2582 CA MET B 59 -14.920 4.596 -5.665 1.00 0.48 C ATOM 2583 C MET B 59 -14.411 4.319 -7.057 1.00 0.48 C ATOM 2584 O MET B 59 -13.742 3.325 -7.300 1.00 0.48 O ATOM 2585 CB MET B 59 -16.457 4.579 -5.653 1.00 0.54 C ATOM 2586 CG MET B 59 -17.074 3.492 -6.525 1.00 0.57 C ATOM 2587 SD MET B 59 -17.388 4.052 -8.215 1.00 1.64 S ATOM 2588 CE MET B 59 -16.950 2.594 -9.155 1.00 2.39 C ATOM 0 H MET B 59 -15.156 6.517 -4.889 1.00 0.45 H new ATOM 0 HA MET B 59 -14.559 3.820 -4.990 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.800 4.445 -4.627 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.823 5.550 -5.988 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.408 2.629 -6.550 1.00 0.57 H new ATOM 0 HG3 MET B 59 -18.010 3.159 -6.077 1.00 0.57 H new ATOM 0 HE1 MET B 59 -17.618 2.498 -10.011 1.00 2.39 H new ATOM 0 HE2 MET B 59 -15.922 2.682 -9.506 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.043 1.712 -8.522 1.00 2.39 H new ATOM 2598 N SER B 60 -14.714 5.236 -7.955 1.00 0.49 N ATOM 2599 CA SER B 60 -14.318 5.103 -9.344 1.00 0.52 C ATOM 2600 C SER B 60 -12.802 5.083 -9.481 1.00 0.51 C ATOM 2601 O SER B 60 -12.264 4.588 -10.464 1.00 0.55 O ATOM 2602 CB SER B 60 -14.934 6.216 -10.195 1.00 0.55 C ATOM 2603 OG SER B 60 -14.686 7.499 -9.646 1.00 1.34 O ATOM 0 H SER B 60 -15.237 6.087 -7.746 1.00 0.49 H new ATOM 0 HA SER B 60 -14.697 4.150 -9.713 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.527 6.168 -11.205 1.00 0.55 H new ATOM 0 HB3 SER B 60 -16.009 6.058 -10.277 1.00 0.55 H new ATOM 0 HG SER B 60 -13.966 7.438 -8.984 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.108 5.633 -8.499 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.661 5.657 -8.537 1.00 0.50 C ATOM 2611 C ASN B 61 -10.084 4.287 -8.235 1.00 0.49 C ATOM 2612 O ASN B 61 -9.278 3.750 -8.996 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.089 6.661 -7.528 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.377 8.102 -7.885 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.493 8.456 -9.057 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.490 8.955 -6.874 1.00 0.57 N ATOM 0 H ASN B 61 -12.522 6.065 -7.673 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.380 5.960 -9.546 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.502 6.449 -6.542 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.010 6.520 -7.458 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.679 9.940 -7.057 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.388 8.625 -5.914 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.508 3.736 -7.117 1.00 0.44 N ATOM 2624 CA LEU B 62 -9.950 2.498 -6.607 1.00 0.43 C ATOM 2625 C LEU B 62 -10.524 1.325 -7.374 1.00 0.48 C ATOM 2626 O LEU B 62 -9.793 0.496 -7.921 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.294 2.368 -5.126 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.273 3.683 -4.347 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.630 3.454 -2.886 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.925 4.378 -4.495 1.00 0.35 C ATOM 0 H LEU B 62 -11.247 4.131 -6.536 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.867 2.505 -6.730 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.285 1.923 -5.035 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.590 1.676 -4.663 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.031 4.344 -4.768 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.608 4.404 -2.353 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.629 3.023 -2.819 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.909 2.770 -2.438 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.933 5.312 -3.932 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.137 3.730 -4.111 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.739 4.591 -5.548 1.00 0.35 H new ATOM 2642 N ASP B 63 -11.843 1.295 -7.419 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.582 0.257 -8.102 1.00 0.53 C ATOM 2644 C ASP B 63 -12.290 0.305 -9.593 1.00 0.57 C ATOM 2645 O ASP B 63 -12.828 1.132 -10.329 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.073 0.449 -7.841 1.00 0.56 C ATOM 2647 CG ASP B 63 -14.937 -0.609 -8.488 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -14.390 -1.552 -9.092 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.178 -0.492 -8.407 1.00 1.24 O ATOM 0 H ASP B 63 -12.434 1.999 -6.977 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.276 -0.719 -7.726 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.250 0.444 -6.765 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.375 1.429 -8.209 1.00 0.56 H new ATOM 2654 N SER B 64 -11.431 -0.590 -10.025 1.00 0.58 N ATOM 2655 CA SER B 64 -10.975 -0.627 -11.398 1.00 0.64 C ATOM 2656 C SER B 64 -12.007 -1.314 -12.284 1.00 0.65 C ATOM 2657 O SER B 64 -11.980 -1.189 -13.509 1.00 0.75 O ATOM 2658 CB SER B 64 -9.633 -1.347 -11.462 1.00 0.72 C ATOM 2659 OG SER B 64 -8.739 -0.823 -10.487 1.00 1.38 O ATOM 0 H SER B 64 -11.027 -1.316 -9.433 1.00 0.58 H new ATOM 0 HA SER B 64 -10.848 0.391 -11.767 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.778 -2.414 -11.295 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.201 -1.236 -12.457 1.00 0.72 H new ATOM 0 HG SER B 64 -7.883 -1.297 -10.540 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.923 -2.029 -11.650 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.962 -2.759 -12.362 1.00 0.72 C ATOM 2667 C ASN B 65 -15.222 -1.896 -12.487 1.00 0.69 C ATOM 2668 O ASN B 65 -16.107 -2.163 -13.305 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.239 -4.082 -11.631 1.00 0.79 C ATOM 2670 CG ASN B 65 -15.629 -4.163 -11.038 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.531 -4.763 -11.620 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -15.821 -3.527 -9.902 1.00 1.16 N ATOM 0 H ASN B 65 -12.968 -2.120 -10.635 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.631 -2.992 -13.374 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.101 -4.909 -12.328 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.505 -4.209 -10.835 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -16.746 -3.520 -9.472 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -15.045 -3.042 -9.452 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.261 -0.846 -11.664 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.344 0.133 -11.636 1.00 0.60 C ATOM 2681 C ARG B 66 -17.699 -0.526 -11.407 1.00 0.60 C ATOM 2682 O ARG B 66 -18.582 -0.468 -12.259 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.392 0.931 -12.925 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.094 1.619 -13.315 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.577 2.618 -12.280 1.00 0.70 C ATOM 2686 NE ARG B 66 -13.746 3.624 -12.938 1.00 0.78 N ATOM 2687 CZ ARG B 66 -12.431 3.495 -13.136 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -11.760 2.497 -12.569 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -11.782 4.390 -13.867 1.00 1.15 N ATOM 0 H ARG B 66 -14.525 -0.651 -10.986 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.136 0.803 -10.801 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.687 0.264 -13.735 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.172 1.687 -12.835 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.330 0.860 -13.483 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.242 2.138 -14.262 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -15.415 3.099 -11.774 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -13.999 2.098 -11.516 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.198 4.477 -13.266 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -12.249 1.824 -11.979 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -10.756 2.404 -12.724 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.286 5.176 -14.277 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -10.778 4.293 -14.019 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.856 -1.148 -10.260 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.126 -1.765 -9.892 1.00 0.61 C ATOM 2705 C ASP B 67 -19.628 -1.147 -8.594 1.00 0.56 C ATOM 2706 O ASP B 67 -20.620 -1.592 -8.014 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.970 -3.279 -9.744 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.288 -4.018 -9.818 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -21.091 -3.730 -10.731 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.517 -4.913 -8.983 1.00 1.63 O ATOM 0 H ASP B 67 -17.122 -1.244 -9.559 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.854 -1.582 -10.682 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.308 -3.649 -10.527 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.490 -3.498 -8.790 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.900 -0.119 -8.149 1.00 0.53 N ATOM 2716 CA ASN B 68 -19.262 0.686 -6.977 1.00 0.51 C ATOM 2717 C ASN B 68 -18.925 -0.038 -5.691 1.00 0.46 C ATOM 2718 O ASN B 68 -19.457 0.279 -4.626 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.740 1.092 -6.999 1.00 0.58 C ATOM 2720 CG ASN B 68 -21.002 2.287 -7.894 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.975 3.010 -7.713 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -20.117 2.523 -8.843 1.00 0.66 N ATOM 0 H ASN B 68 -18.034 0.182 -8.596 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.669 1.599 -7.021 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.340 0.248 -7.340 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -21.065 1.324 -5.985 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -20.230 3.330 -9.457 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -19.320 1.899 -8.963 1.00 0.66 H new ATOM 2729 N GLU B 69 -18.025 -1.004 -5.800 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.563 -1.759 -4.652 1.00 0.42 C ATOM 2731 C GLU B 69 -16.068 -2.013 -4.786 1.00 0.40 C ATOM 2732 O GLU B 69 -15.618 -2.660 -5.732 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.319 -3.083 -4.526 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.828 -2.940 -4.662 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.573 -4.240 -4.459 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.381 -5.166 -5.267 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -21.378 -4.328 -3.507 1.00 1.31 O ATOM 0 H GLU B 69 -17.598 -1.283 -6.683 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.755 -1.180 -3.749 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.958 -3.772 -5.290 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.091 -3.531 -3.559 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.183 -2.209 -3.936 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.061 -2.547 -5.651 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.315 -1.475 -3.850 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.850 -1.587 -3.863 1.00 0.36 C ATOM 2746 C VAL B 70 -13.376 -2.931 -3.299 1.00 0.35 C ATOM 2747 O VAL B 70 -13.800 -3.329 -2.229 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.215 -0.445 -3.044 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.731 -0.681 -2.838 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.444 0.887 -3.732 1.00 0.36 C ATOM 0 H VAL B 70 -15.686 -0.949 -3.059 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.534 -1.518 -4.904 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.694 -0.424 -2.065 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.309 0.140 -2.258 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.583 -1.618 -2.302 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.233 -0.734 -3.806 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.990 1.684 -3.143 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.992 0.867 -4.724 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.515 1.069 -3.825 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.491 -3.620 -4.014 1.00 0.37 N ATOM 2761 CA ASP B 71 -11.954 -4.906 -3.542 1.00 0.39 C ATOM 2762 C ASP B 71 -10.730 -4.704 -2.645 1.00 0.37 C ATOM 2763 O ASP B 71 -10.174 -3.610 -2.605 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.595 -5.821 -4.729 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.097 -6.050 -4.894 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.450 -5.267 -5.593 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -9.553 -7.017 -4.309 1.00 1.35 O ATOM 0 H ASP B 71 -12.128 -3.317 -4.918 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.734 -5.388 -2.952 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.088 -6.784 -4.597 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -11.990 -5.384 -5.646 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.326 -5.758 -1.919 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.130 -5.719 -1.058 1.00 0.44 C ATOM 2774 C PHE B 72 -7.955 -5.064 -1.768 1.00 0.40 C ATOM 2775 O PHE B 72 -7.265 -4.212 -1.216 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.691 -7.133 -0.677 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.539 -7.831 0.345 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.609 -8.620 -0.041 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -9.233 -7.738 1.693 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -11.361 -9.295 0.898 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -9.981 -8.415 2.635 1.00 2.18 C ATOM 2782 CZ PHE B 72 -11.047 -9.196 2.235 1.00 2.15 C ATOM 0 H PHE B 72 -10.813 -6.654 -1.911 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.404 -5.144 -0.173 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.671 -7.742 -1.581 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.669 -7.086 -0.301 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -10.858 -8.708 -1.088 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -8.400 -7.129 2.010 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -12.197 -9.902 0.584 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -9.733 -8.334 3.683 1.00 2.18 H new ATOM 0 HZ PHE B 72 -11.633 -9.728 2.969 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.745 -5.489 -2.995 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.622 -5.048 -3.807 1.00 0.37 C ATOM 2794 C GLN B 73 -6.803 -3.604 -4.256 1.00 0.36 C ATOM 2795 O GLN B 73 -5.884 -2.805 -4.149 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.455 -5.972 -5.017 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.449 -5.477 -6.043 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.107 -4.956 -7.306 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.579 -3.722 -7.255 1.00 0.62 O flip ATOM 2800 NE2 GLN B 73 -6.232 -5.673 -8.299 1.00 0.41 N flip ATOM 0 H GLN B 73 -8.354 -6.158 -3.466 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.719 -5.096 -3.199 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.147 -6.957 -4.668 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.423 -6.095 -5.503 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.845 -4.685 -5.600 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.770 -6.290 -6.301 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -5.852 -6.620 -8.296 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.715 -5.320 -9.125 1.00 0.41 H new ATOM 2809 N GLU B 74 -7.979 -3.281 -4.778 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.303 -1.912 -5.177 1.00 0.39 C ATOM 2811 C GLU B 74 -8.171 -0.983 -3.978 1.00 0.38 C ATOM 2812 O GLU B 74 -7.791 0.181 -4.100 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.720 -1.867 -5.761 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.868 -2.738 -6.999 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.301 -2.909 -7.469 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.205 -3.074 -6.622 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -11.515 -2.917 -8.701 1.00 2.18 O ATOM 0 H GLU B 74 -8.731 -3.952 -4.937 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.607 -1.577 -5.945 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.432 -2.194 -5.003 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.973 -0.837 -6.013 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.281 -2.303 -7.808 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.445 -3.721 -6.791 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.456 -1.541 -2.817 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.296 -0.860 -1.553 1.00 0.36 C ATOM 2826 C TYR B 75 -6.807 -0.731 -1.198 1.00 0.34 C ATOM 2827 O TYR B 75 -6.364 0.290 -0.676 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.041 -1.652 -0.479 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.826 -1.127 0.923 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.324 0.112 1.294 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.128 -1.865 1.875 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.136 0.605 2.568 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -7.940 -1.379 3.157 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.446 -0.141 3.497 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.282 0.348 4.774 1.00 2.33 O ATOM 0 H TYR B 75 -8.810 -2.493 -2.727 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.709 0.147 -1.618 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.108 -1.637 -0.703 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.721 -2.693 -0.521 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.869 0.702 0.572 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.727 -2.832 1.609 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.529 1.574 2.837 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.401 -1.965 3.887 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.521 0.965 4.793 1.00 2.33 H new ATOM 2845 N SER B 76 -6.045 -1.772 -1.502 1.00 0.35 N ATOM 2846 CA SER B 76 -4.607 -1.790 -1.247 1.00 0.36 C ATOM 2847 C SER B 76 -3.879 -0.826 -2.181 1.00 0.36 C ATOM 2848 O SER B 76 -2.849 -0.249 -1.822 1.00 0.41 O ATOM 2849 CB SER B 76 -4.070 -3.215 -1.419 1.00 0.41 C ATOM 2850 OG SER B 76 -4.666 -4.096 -0.484 1.00 1.21 O ATOM 0 H SER B 76 -6.402 -2.626 -1.931 1.00 0.35 H new ATOM 0 HA SER B 76 -4.428 -1.464 -0.223 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.270 -3.564 -2.432 1.00 0.41 H new ATOM 0 HB3 SER B 76 -2.988 -3.218 -1.289 1.00 0.41 H new ATOM 0 HG SER B 76 -5.610 -4.227 -0.713 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.437 -0.644 -3.371 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.902 0.290 -4.349 1.00 0.36 C ATOM 2858 C VAL B 77 -4.229 1.700 -3.898 1.00 0.33 C ATOM 2859 O VAL B 77 -3.475 2.642 -4.121 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.489 0.041 -5.758 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.084 1.147 -6.721 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.044 -1.312 -6.290 1.00 0.43 C ATOM 0 H VAL B 77 -5.272 -1.140 -3.684 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.823 0.148 -4.415 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.576 0.043 -5.675 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.510 0.947 -7.704 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.454 2.104 -6.353 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.997 1.183 -6.797 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.467 -1.470 -7.282 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.956 -1.339 -6.351 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.390 -2.098 -5.619 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.364 1.812 -3.240 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.796 3.054 -2.641 1.00 0.29 C ATOM 2874 C PHE B 78 -4.808 3.513 -1.576 1.00 0.27 C ATOM 2875 O PHE B 78 -4.279 4.623 -1.637 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.171 2.854 -2.017 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.643 4.024 -1.209 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.457 5.321 -1.656 1.00 1.18 C ATOM 2879 CD2 PHE B 78 -8.261 3.819 0.009 1.00 1.23 C ATOM 2880 CE1 PHE B 78 -7.881 6.391 -0.902 1.00 1.19 C ATOM 2881 CE2 PHE B 78 -8.686 4.885 0.766 1.00 1.24 C ATOM 2882 CZ PHE B 78 -8.497 6.173 0.311 1.00 0.37 C ATOM 0 H PHE B 78 -6.015 1.039 -3.106 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.846 3.821 -3.414 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.894 2.655 -2.808 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.146 1.970 -1.379 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.974 5.495 -2.606 1.00 1.18 H new ATOM 0 HD2 PHE B 78 -8.412 2.812 0.370 1.00 1.23 H new ATOM 0 HE1 PHE B 78 -7.731 7.399 -1.260 1.00 1.19 H new ATOM 0 HE2 PHE B 78 -9.168 4.714 1.717 1.00 1.24 H new ATOM 0 HZ PHE B 78 -8.832 7.010 0.905 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.564 2.648 -0.605 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.703 2.986 0.520 1.00 0.27 C ATOM 2894 C LEU B 79 -2.282 3.289 0.060 1.00 0.31 C ATOM 2895 O LEU B 79 -1.619 4.176 0.604 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.711 1.855 1.543 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.103 1.457 2.032 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.004 0.464 3.168 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.893 2.682 2.462 1.00 0.30 C ATOM 0 H LEU B 79 -4.950 1.704 -0.572 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.094 3.888 0.990 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.230 0.981 1.104 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.109 2.153 2.401 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.632 0.983 1.205 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.005 0.193 3.502 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.481 -0.429 2.826 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.454 0.912 3.996 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.881 2.376 2.806 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.367 3.188 3.272 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.998 3.362 1.617 1.00 0.30 H new ATOM 2911 N SER B 80 -1.820 2.572 -0.953 1.00 0.36 N ATOM 2912 CA SER B 80 -0.513 2.847 -1.523 1.00 0.47 C ATOM 2913 C SER B 80 -0.537 4.147 -2.301 1.00 0.37 C ATOM 2914 O SER B 80 0.412 4.915 -2.236 1.00 0.38 O ATOM 2915 CB SER B 80 -0.052 1.710 -2.419 1.00 0.66 C ATOM 2916 OG SER B 80 -1.109 1.241 -3.234 1.00 0.84 O ATOM 0 H SER B 80 -2.326 1.803 -1.393 1.00 0.36 H new ATOM 0 HA SER B 80 0.196 2.939 -0.700 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.772 2.049 -3.047 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.329 0.893 -1.807 1.00 0.66 H new ATOM 0 HG SER B 80 -1.585 0.521 -2.770 1.00 0.84 H new ATOM 2922 N SER B 81 -1.620 4.389 -3.034 1.00 0.33 N ATOM 2923 CA SER B 81 -1.799 5.649 -3.738 1.00 0.30 C ATOM 2924 C SER B 81 -1.613 6.801 -2.765 1.00 0.24 C ATOM 2925 O SER B 81 -0.878 7.742 -3.044 1.00 0.26 O ATOM 2926 CB SER B 81 -3.182 5.718 -4.396 1.00 0.37 C ATOM 2927 OG SER B 81 -3.340 6.914 -5.139 1.00 1.22 O ATOM 0 H SER B 81 -2.386 3.726 -3.154 1.00 0.33 H new ATOM 0 HA SER B 81 -1.052 5.721 -4.529 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.318 4.859 -5.053 1.00 0.37 H new ATOM 0 HB3 SER B 81 -3.955 5.659 -3.630 1.00 0.37 H new ATOM 0 HG SER B 81 -4.230 6.930 -5.548 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.249 6.692 -1.604 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.095 7.684 -0.553 1.00 0.23 C ATOM 2935 C ILE B 82 -0.626 7.899 -0.222 1.00 0.27 C ATOM 2936 O ILE B 82 -0.114 9.009 -0.339 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.817 7.271 0.741 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.309 7.042 0.476 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.599 8.338 1.806 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.091 6.605 1.698 1.00 0.23 C ATOM 0 H ILE B 82 -2.877 5.923 -1.369 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.539 8.604 -0.934 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.402 6.330 1.103 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.744 7.963 0.089 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.418 6.286 -0.302 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.110 8.046 2.723 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.532 8.443 2.003 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -2.998 9.289 1.455 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.138 6.464 1.429 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.683 5.667 2.074 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.015 7.370 2.471 1.00 0.23 H new ATOM 2952 N ALA B 83 0.042 6.826 0.176 1.00 0.30 N ATOM 2953 CA ALA B 83 1.433 6.896 0.605 1.00 0.36 C ATOM 2954 C ALA B 83 2.342 7.418 -0.514 1.00 0.37 C ATOM 2955 O ALA B 83 3.274 8.185 -0.260 1.00 0.42 O ATOM 2956 CB ALA B 83 1.890 5.530 1.098 1.00 0.40 C ATOM 0 H ALA B 83 -0.360 5.889 0.211 1.00 0.30 H new ATOM 0 HA ALA B 83 1.505 7.607 1.428 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.931 5.588 1.417 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.269 5.220 1.939 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.798 4.803 0.291 1.00 0.40 H new ATOM 2962 N MET B 84 2.053 7.024 -1.750 1.00 0.37 N ATOM 2963 CA MET B 84 2.809 7.499 -2.905 1.00 0.43 C ATOM 2964 C MET B 84 2.609 8.992 -3.085 1.00 0.34 C ATOM 2965 O MET B 84 3.567 9.761 -3.056 1.00 0.37 O ATOM 2966 CB MET B 84 2.384 6.781 -4.194 1.00 0.64 C ATOM 2967 CG MET B 84 2.611 5.281 -4.176 1.00 0.44 C ATOM 2968 SD MET B 84 2.394 4.517 -5.798 1.00 1.00 S ATOM 2969 CE MET B 84 0.664 4.845 -6.124 1.00 1.26 C ATOM 0 H MET B 84 1.299 6.376 -1.978 1.00 0.37 H new ATOM 0 HA MET B 84 3.860 7.282 -2.716 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.326 6.975 -4.372 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.932 7.210 -5.033 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.619 5.076 -3.815 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.920 4.823 -3.469 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.404 4.476 -7.116 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.051 4.340 -5.377 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.482 5.919 -6.077 1.00 1.26 H new ATOM 2979 N MET B 85 1.350 9.392 -3.240 1.00 0.33 N ATOM 2980 CA MET B 85 1.000 10.785 -3.494 1.00 0.35 C ATOM 2981 C MET B 85 1.501 11.681 -2.373 1.00 0.35 C ATOM 2982 O MET B 85 1.991 12.781 -2.625 1.00 0.42 O ATOM 2983 CB MET B 85 -0.516 10.940 -3.643 1.00 0.39 C ATOM 2984 CG MET B 85 -1.108 10.076 -4.742 1.00 1.36 C ATOM 2985 SD MET B 85 -0.460 10.475 -6.376 1.00 2.66 S ATOM 2986 CE MET B 85 -1.263 9.216 -7.367 1.00 3.35 C ATOM 0 H MET B 85 0.548 8.763 -3.193 1.00 0.33 H new ATOM 0 HA MET B 85 1.481 11.087 -4.425 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.994 10.688 -2.696 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.748 11.985 -3.849 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.904 9.028 -4.522 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.191 10.196 -4.747 1.00 1.36 H new ATOM 0 HE1 MET B 85 -0.964 9.327 -8.409 1.00 3.35 H new ATOM 0 HE2 MET B 85 -0.970 8.229 -7.009 1.00 3.35 H new ATOM 0 HE3 MET B 85 -2.345 9.325 -7.287 1.00 3.35 H new ATOM 2996 N SER B 86 1.377 11.202 -1.140 1.00 0.33 N ATOM 2997 CA SER B 86 1.846 11.943 0.021 1.00 0.39 C ATOM 2998 C SER B 86 3.335 12.259 -0.093 1.00 0.43 C ATOM 2999 O SER B 86 3.754 13.400 0.119 1.00 0.57 O ATOM 3000 CB SER B 86 1.570 11.156 1.307 1.00 0.43 C ATOM 3001 OG SER B 86 0.183 10.903 1.465 1.00 1.25 O ATOM 0 H SER B 86 0.954 10.300 -0.920 1.00 0.33 H new ATOM 0 HA SER B 86 1.300 12.885 0.060 1.00 0.39 H new ATOM 0 HB2 SER B 86 2.114 10.212 1.283 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.941 11.716 2.166 1.00 0.43 H new ATOM 0 HG SER B 86 -0.065 10.107 0.950 1.00 1.25 H new ATOM 3007 N ASN B 87 4.136 11.263 -0.452 1.00 0.40 N ATOM 3008 CA ASN B 87 5.577 11.451 -0.456 1.00 0.51 C ATOM 3009 C ASN B 87 6.081 12.081 -1.751 1.00 0.44 C ATOM 3010 O ASN B 87 7.033 12.856 -1.732 1.00 0.53 O ATOM 3011 CB ASN B 87 6.324 10.152 -0.214 1.00 0.69 C ATOM 3012 CG ASN B 87 7.713 10.448 0.304 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.958 10.413 1.506 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.613 10.818 -0.593 1.00 1.49 N ATOM 0 H ASN B 87 3.819 10.337 -0.738 1.00 0.40 H new ATOM 0 HA ASN B 87 5.780 12.137 0.367 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.781 9.538 0.505 1.00 0.69 H new ATOM 0 HB3 ASN B 87 6.386 9.580 -1.140 1.00 0.69 H new ATOM 0 HD21 ASN B 87 9.550 11.088 -0.294 1.00 1.49 H new ATOM 0 HD22 ASN B 87 8.369 10.834 -1.583 1.00 1.49 H new ATOM 3021 N GLU B 88 5.486 11.734 -2.881 1.00 0.37 N ATOM 3022 CA GLU B 88 5.847 12.385 -4.136 1.00 0.42 C ATOM 3023 C GLU B 88 5.550 13.880 -4.046 1.00 0.51 C ATOM 3024 O GLU B 88 6.203 14.701 -4.688 1.00 0.66 O ATOM 3025 CB GLU B 88 5.112 11.754 -5.320 1.00 0.48 C ATOM 3026 CG GLU B 88 5.478 10.296 -5.544 1.00 0.51 C ATOM 3027 CD GLU B 88 4.832 9.713 -6.784 1.00 0.91 C ATOM 3028 OE1 GLU B 88 3.651 9.326 -6.715 1.00 1.74 O ATOM 3029 OE2 GLU B 88 5.506 9.637 -7.833 1.00 1.49 O ATOM 0 H GLU B 88 4.763 11.019 -2.959 1.00 0.37 H new ATOM 0 HA GLU B 88 6.915 12.245 -4.304 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.037 11.831 -5.155 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.337 12.321 -6.223 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.561 10.207 -5.628 1.00 0.51 H new ATOM 0 HG3 GLU B 88 5.176 9.713 -4.674 1.00 0.51 H new ATOM 3036 N PHE B 89 4.573 14.223 -3.217 1.00 0.50 N ATOM 3037 CA PHE B 89 4.267 15.616 -2.934 1.00 0.63 C ATOM 3038 C PHE B 89 5.165 16.134 -1.811 1.00 0.66 C ATOM 3039 O PHE B 89 5.347 17.341 -1.658 1.00 0.79 O ATOM 3040 CB PHE B 89 2.789 15.771 -2.556 1.00 0.73 C ATOM 3041 CG PHE B 89 2.325 17.198 -2.454 1.00 1.18 C ATOM 3042 CD1 PHE B 89 1.950 17.899 -3.589 1.00 2.16 C ATOM 3043 CD2 PHE B 89 2.259 17.836 -1.224 1.00 1.70 C ATOM 3044 CE1 PHE B 89 1.518 19.209 -3.500 1.00 2.79 C ATOM 3045 CE2 PHE B 89 1.830 19.146 -1.131 1.00 2.37 C ATOM 3046 CZ PHE B 89 1.458 19.832 -2.270 1.00 2.70 C ATOM 0 H PHE B 89 3.979 13.553 -2.729 1.00 0.50 H new ATOM 0 HA PHE B 89 4.456 16.206 -3.831 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.180 15.255 -3.298 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.616 15.275 -1.601 1.00 0.73 H new ATOM 0 HD1 PHE B 89 1.996 17.416 -4.554 1.00 2.16 H new ATOM 0 HD2 PHE B 89 2.546 17.303 -0.330 1.00 1.70 H new ATOM 0 HE1 PHE B 89 1.228 19.744 -4.392 1.00 2.79 H new ATOM 0 HE2 PHE B 89 1.786 19.633 -0.168 1.00 2.37 H new ATOM 0 HZ PHE B 89 1.120 20.855 -2.198 1.00 2.70 H new ATOM 3056 N PHE B 90 5.739 15.216 -1.035 1.00 0.60 N ATOM 3057 CA PHE B 90 6.708 15.579 -0.007 1.00 0.68 C ATOM 3058 C PHE B 90 7.960 16.126 -0.679 1.00 0.68 C ATOM 3059 O PHE B 90 8.633 17.012 -0.151 1.00 0.79 O ATOM 3060 CB PHE B 90 7.035 14.362 0.869 1.00 0.70 C ATOM 3061 CG PHE B 90 8.085 14.605 1.916 1.00 0.85 C ATOM 3062 CD1 PHE B 90 7.799 15.354 3.045 1.00 1.46 C ATOM 3063 CD2 PHE B 90 9.357 14.075 1.774 1.00 1.53 C ATOM 3064 CE1 PHE B 90 8.762 15.571 4.010 1.00 1.59 C ATOM 3065 CE2 PHE B 90 10.324 14.288 2.736 1.00 1.64 C ATOM 3066 CZ PHE B 90 10.026 15.037 3.856 1.00 1.21 C ATOM 0 H PHE B 90 5.549 14.216 -1.100 1.00 0.60 H new ATOM 0 HA PHE B 90 6.290 16.349 0.642 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.121 14.030 1.361 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.365 13.547 0.225 1.00 0.70 H new ATOM 0 HD1 PHE B 90 6.812 15.773 3.172 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.595 13.488 0.900 1.00 1.53 H new ATOM 0 HE1 PHE B 90 8.527 16.158 4.885 1.00 1.59 H new ATOM 0 HE2 PHE B 90 11.312 13.869 2.612 1.00 1.64 H new ATOM 0 HZ PHE B 90 10.780 15.205 4.611 1.00 1.21 H new ATOM 3076 N GLU B 91 8.257 15.586 -1.857 1.00 0.61 N ATOM 3077 CA GLU B 91 9.292 16.143 -2.715 1.00 0.72 C ATOM 3078 C GLU B 91 8.839 17.501 -3.217 1.00 0.77 C ATOM 3079 O GLU B 91 9.599 18.466 -3.263 1.00 0.95 O ATOM 3080 CB GLU B 91 9.530 15.259 -3.940 1.00 0.82 C ATOM 3081 CG GLU B 91 9.777 13.797 -3.641 1.00 0.92 C ATOM 3082 CD GLU B 91 9.803 12.965 -4.908 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.837 12.968 -5.608 1.00 2.25 O ATOM 3084 OE2 GLU B 91 8.796 12.284 -5.195 1.00 2.22 O ATOM 0 H GLU B 91 7.793 14.761 -2.238 1.00 0.61 H new ATOM 0 HA GLU B 91 10.210 16.214 -2.132 1.00 0.72 H new ATOM 0 HB2 GLU B 91 8.665 15.338 -4.598 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.386 15.651 -4.490 1.00 0.82 H new ATOM 0 HG2 GLU B 91 10.725 13.688 -3.114 1.00 0.92 H new ATOM 0 HG3 GLU B 91 8.998 13.424 -2.976 1.00 0.92 H new ATOM 3091 N GLY B 92 7.571 17.543 -3.585 1.00 0.71 N ATOM 3092 CA GLY B 92 7.016 18.687 -4.270 1.00 0.82 C ATOM 3093 C GLY B 92 6.862 18.370 -5.735 1.00 0.81 C ATOM 3094 O GLY B 92 5.946 18.850 -6.405 1.00 0.91 O ATOM 0 H GLY B 92 6.905 16.789 -3.417 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.049 18.948 -3.840 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.666 19.552 -4.141 1.00 0.82 H new ATOM 3098 N PHE B 93 7.757 17.512 -6.205 1.00 0.76 N ATOM 3099 CA PHE B 93 7.787 17.056 -7.582 1.00 0.78 C ATOM 3100 C PHE B 93 8.474 15.704 -7.612 1.00 0.69 C ATOM 3101 O PHE B 93 9.632 15.601 -7.208 1.00 0.82 O ATOM 3102 CB PHE B 93 8.553 18.033 -8.489 1.00 1.00 C ATOM 3103 CG PHE B 93 7.865 19.349 -8.716 1.00 1.67 C ATOM 3104 CD1 PHE B 93 6.773 19.435 -9.563 1.00 2.58 C ATOM 3105 CD2 PHE B 93 8.316 20.501 -8.093 1.00 2.41 C ATOM 3106 CE1 PHE B 93 6.141 20.643 -9.782 1.00 3.59 C ATOM 3107 CE2 PHE B 93 7.689 21.713 -8.307 1.00 3.46 C ATOM 3108 CZ PHE B 93 6.599 21.784 -9.153 1.00 3.90 C ATOM 0 H PHE B 93 8.494 17.108 -5.627 1.00 0.76 H new ATOM 0 HA PHE B 93 6.765 16.992 -7.955 1.00 0.78 H new ATOM 0 HB2 PHE B 93 9.533 18.222 -8.051 1.00 1.00 H new ATOM 0 HB3 PHE B 93 8.722 17.555 -9.454 1.00 1.00 H new ATOM 0 HD1 PHE B 93 6.411 18.546 -10.058 1.00 2.58 H new ATOM 0 HD2 PHE B 93 9.168 20.451 -7.432 1.00 2.41 H new ATOM 0 HE1 PHE B 93 5.290 20.695 -10.444 1.00 3.59 H new ATOM 0 HE2 PHE B 93 8.050 22.603 -7.814 1.00 3.46 H new ATOM 0 HZ PHE B 93 6.106 22.730 -9.322 1.00 3.90 H new ATOM 3118 N PRO B 94 7.770 14.651 -8.050 1.00 0.64 N ATOM 3119 CA PRO B 94 8.328 13.297 -8.104 1.00 0.61 C ATOM 3120 C PRO B 94 9.594 13.237 -8.952 1.00 0.71 C ATOM 3121 O PRO B 94 9.539 13.133 -10.179 1.00 0.90 O ATOM 3122 CB PRO B 94 7.210 12.459 -8.731 1.00 0.65 C ATOM 3123 CG PRO B 94 6.273 13.442 -9.349 1.00 0.84 C ATOM 3124 CD PRO B 94 6.381 14.692 -8.527 1.00 0.83 C ATOM 0 HA PRO B 94 8.626 12.939 -7.118 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.607 11.772 -9.478 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.704 11.854 -7.979 1.00 0.65 H new ATOM 0 HG2 PRO B 94 6.540 13.635 -10.388 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.252 13.061 -9.347 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.184 15.585 -9.121 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.670 14.695 -7.701 1.00 0.83 H new ATOM 3132 N ASP B 95 10.736 13.309 -8.289 1.00 0.71 N ATOM 3133 CA ASP B 95 12.021 13.397 -8.970 1.00 0.87 C ATOM 3134 C ASP B 95 12.774 12.083 -8.874 1.00 0.84 C ATOM 3135 O ASP B 95 13.713 11.828 -9.626 1.00 0.96 O ATOM 3136 CB ASP B 95 12.856 14.534 -8.372 1.00 1.12 C ATOM 3137 CG ASP B 95 14.162 14.757 -9.109 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.136 15.346 -10.212 1.00 2.40 O ATOM 3139 OD2 ASP B 95 15.225 14.349 -8.588 1.00 2.16 O ATOM 0 H ASP B 95 10.801 13.308 -7.271 1.00 0.71 H new ATOM 0 HA ASP B 95 11.839 13.608 -10.024 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.273 15.455 -8.390 1.00 1.12 H new ATOM 0 HB3 ASP B 95 13.068 14.311 -7.326 1.00 1.12 H new ATOM 3144 N LYS B 96 12.322 11.238 -7.969 1.00 0.81 N ATOM 3145 CA LYS B 96 12.952 9.948 -7.733 1.00 0.86 C ATOM 3146 C LYS B 96 12.322 8.908 -8.638 1.00 0.83 C ATOM 3147 O LYS B 96 12.731 7.746 -8.673 1.00 0.94 O ATOM 3148 CB LYS B 96 12.797 9.557 -6.260 1.00 0.97 C ATOM 3149 CG LYS B 96 11.435 9.919 -5.693 1.00 0.93 C ATOM 3150 CD LYS B 96 11.294 9.523 -4.231 1.00 0.65 C ATOM 3151 CE LYS B 96 10.042 10.124 -3.621 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.828 9.671 -4.340 1.00 1.85 N ATOM 0 H LYS B 96 11.512 11.422 -7.377 1.00 0.81 H new ATOM 0 HA LYS B 96 14.016 10.009 -7.960 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.955 8.484 -6.156 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.572 10.052 -5.674 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.276 10.993 -5.793 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.658 9.426 -6.277 1.00 0.93 H new ATOM 0 HD2 LYS B 96 11.258 8.437 -4.147 1.00 0.65 H new ATOM 0 HD3 LYS B 96 12.170 9.857 -3.674 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.973 9.841 -2.571 1.00 0.84 H new ATOM 0 HE3 LYS B 96 10.104 11.212 -3.654 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 8.041 9.577 -3.667 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.577 10.367 -5.071 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 9.013 8.751 -4.787 1.00 1.85 H new