USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 950 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: A 1 MET CE :methyl -156:sc= -0.118 (180deg=-0.618) USER MOD Set 1.2: A 103 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.08 (180deg=-0.0385) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.85 K(o=-0.85,f=-5.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.224 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00472 X(o=-0.0047,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 35 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.16 K(o=1.2,f=-4.2!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.1!) USER MOD Single : A 53 HIS : no HD1:sc= -0.873 K(o=-0.87,f=-0.14) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -173:sc= -0.702 (180deg=-0.824) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -132:sc= 0.428 (180deg=-0.884) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 105 SER OG : rot 101:sc= 1.21 USER MOD Single : A 107 GLN : amide:sc= -0.0245 K(o=-0.024,f=-0.92) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot -116:sc= 1.3 USER MOD Single : A 116 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0.0022) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.051) USER MOD Single : A 120 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.19) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.577 -9.215 -3.425 1.00 0.00 N ATOM 2 CA MET A 1 -4.122 -7.821 -3.541 1.00 0.00 C ATOM 3 C MET A 1 -2.807 -7.615 -2.811 1.00 0.00 C ATOM 4 O MET A 1 -2.501 -8.347 -1.871 1.00 0.00 O ATOM 5 CB MET A 1 -5.194 -6.816 -3.123 1.00 0.00 C ATOM 6 CG MET A 1 -5.537 -6.777 -1.645 1.00 0.00 C ATOM 7 SD MET A 1 -7.156 -7.482 -1.232 1.00 0.00 S ATOM 8 CE MET A 1 -8.252 -6.355 -2.144 1.00 0.00 C ATOM 0 H1 MET A 1 -4.464 -9.695 -4.341 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.010 -9.706 -2.704 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.579 -9.231 -3.148 1.00 0.00 H new ATOM 0 HA MET A 1 -3.938 -7.626 -4.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.867 -5.821 -3.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.105 -7.035 -3.680 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.768 -7.316 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.508 -5.742 -1.305 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.241 -6.360 -1.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.843 -5.345 -2.113 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.330 -6.683 -3.181 1.00 0.00 H new ATOM 18 N ILE A 2 -2.069 -6.578 -3.202 1.00 0.00 N ATOM 19 CA ILE A 2 -0.982 -5.991 -2.428 1.00 0.00 C ATOM 20 C ILE A 2 -1.478 -4.587 -2.057 1.00 0.00 C ATOM 21 O ILE A 2 -2.248 -3.999 -2.821 1.00 0.00 O ATOM 22 CB ILE A 2 0.328 -5.935 -3.245 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.565 -7.210 -4.089 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.541 -5.660 -2.347 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.890 -7.190 -4.852 1.00 0.00 C ATOM 0 H ILE A 2 -2.218 -6.109 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.743 -6.583 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 2 0.211 -5.103 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.544 -8.081 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.254 -7.325 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.445 -5.628 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.410 -4.703 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.632 -6.453 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.995 -8.112 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.906 -6.338 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.716 -7.105 -4.145 1.00 0.00 H new ATOM 37 N ILE A 3 -1.065 -4.068 -0.904 1.00 0.00 N ATOM 38 CA ILE A 3 -1.591 -2.919 -0.183 1.00 0.00 C ATOM 39 C ILE A 3 -0.388 -2.058 0.145 1.00 0.00 C ATOM 40 O ILE A 3 0.394 -2.436 1.017 1.00 0.00 O ATOM 41 CB ILE A 3 -2.310 -3.390 1.100 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.583 -4.174 0.756 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.666 -2.203 2.005 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.971 -5.176 1.846 1.00 0.00 C ATOM 0 H ILE A 3 -0.278 -4.484 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.322 -2.361 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.623 -4.044 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.405 -3.475 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.435 -4.705 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.171 -2.566 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.755 -1.677 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.325 -1.521 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.878 -5.702 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.163 -5.895 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.148 -4.645 2.782 1.00 0.00 H new ATOM 56 N ALA A 4 -0.195 -0.949 -0.558 1.00 0.00 N ATOM 57 CA ALA A 4 0.918 -0.056 -0.218 1.00 0.00 C ATOM 58 C ALA A 4 0.512 0.806 0.962 1.00 0.00 C ATOM 59 O ALA A 4 -0.607 1.338 0.982 1.00 0.00 O ATOM 60 CB ALA A 4 1.350 0.867 -1.367 1.00 0.00 C ATOM 0 H ALA A 4 -0.771 -0.648 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 4 1.769 -0.696 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.177 1.496 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.669 0.264 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.511 1.497 -1.663 1.00 0.00 H new ATOM 66 N ILE A 5 1.440 1.026 1.876 1.00 0.00 N ATOM 67 CA ILE A 5 1.337 2.013 2.935 1.00 0.00 C ATOM 68 C ILE A 5 2.660 2.772 2.910 1.00 0.00 C ATOM 69 O ILE A 5 3.714 2.157 3.071 1.00 0.00 O ATOM 70 CB ILE A 5 1.011 1.375 4.301 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.363 0.683 4.214 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.971 2.475 5.380 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.818 -0.049 5.472 1.00 0.00 C ATOM 0 H ILE A 5 2.316 0.504 1.902 1.00 0.00 H new ATOM 0 HA ILE A 5 0.503 2.697 2.775 1.00 0.00 H new ATOM 0 HB ILE A 5 1.774 0.642 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.112 1.434 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.338 -0.030 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.741 2.028 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.941 2.970 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.203 3.206 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.796 -0.498 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.099 -0.830 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.885 0.657 6.300 1.00 0.00 H new ATOM 85 N PRO A 6 2.648 4.088 2.659 1.00 0.00 N ATOM 86 CA PRO A 6 3.827 4.906 2.853 1.00 0.00 C ATOM 87 C PRO A 6 4.081 4.978 4.357 1.00 0.00 C ATOM 88 O PRO A 6 3.199 5.450 5.079 1.00 0.00 O ATOM 89 CB PRO A 6 3.456 6.260 2.251 1.00 0.00 C ATOM 90 CG PRO A 6 1.941 6.355 2.401 1.00 0.00 C ATOM 91 CD PRO A 6 1.481 4.902 2.363 1.00 0.00 C ATOM 0 HA PRO A 6 4.737 4.529 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.957 7.075 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.754 6.322 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.661 6.839 3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.495 6.937 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.691 4.727 3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.072 4.651 1.384 1.00 0.00 H new ATOM 99 N VAL A 7 5.245 4.544 4.837 1.00 0.00 N ATOM 100 CA VAL A 7 5.579 4.608 6.259 1.00 0.00 C ATOM 101 C VAL A 7 6.760 5.534 6.473 1.00 0.00 C ATOM 102 O VAL A 7 7.626 5.652 5.605 1.00 0.00 O ATOM 103 CB VAL A 7 5.818 3.217 6.875 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.499 2.471 7.009 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.818 2.342 6.109 1.00 0.00 C ATOM 0 H VAL A 7 5.979 4.140 4.255 1.00 0.00 H new ATOM 0 HA VAL A 7 4.717 5.018 6.786 1.00 0.00 H new ATOM 0 HB VAL A 7 6.264 3.407 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.679 1.489 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.825 3.036 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.046 2.353 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.924 1.382 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.456 2.179 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.786 2.842 6.073 1.00 0.00 H new ATOM 115 N SER A 8 6.769 6.206 7.622 1.00 0.00 N ATOM 116 CA SER A 8 7.783 7.182 7.967 1.00 0.00 C ATOM 117 C SER A 8 9.127 6.518 8.231 1.00 0.00 C ATOM 118 O SER A 8 10.145 7.157 7.979 1.00 0.00 O ATOM 119 CB SER A 8 7.365 7.970 9.210 1.00 0.00 C ATOM 120 OG SER A 8 5.995 8.326 9.130 1.00 0.00 O ATOM 0 H SER A 8 6.060 6.082 8.345 1.00 0.00 H new ATOM 0 HA SER A 8 7.885 7.857 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.541 7.372 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.976 8.868 9.302 1.00 0.00 H new ATOM 0 HG SER A 8 5.740 8.828 9.932 1.00 0.00 H new ATOM 126 N GLU A 9 9.128 5.281 8.736 1.00 0.00 N ATOM 127 CA GLU A 9 10.293 4.454 8.987 1.00 0.00 C ATOM 128 C GLU A 9 9.858 3.019 8.730 1.00 0.00 C ATOM 129 O GLU A 9 8.670 2.694 8.844 1.00 0.00 O ATOM 130 CB GLU A 9 10.759 4.597 10.442 1.00 0.00 C ATOM 131 CG GLU A 9 11.435 5.940 10.716 1.00 0.00 C ATOM 132 CD GLU A 9 12.857 6.055 10.145 1.00 0.00 C ATOM 133 OE1 GLU A 9 13.739 5.269 10.573 1.00 0.00 O ATOM 134 OE2 GLU A 9 13.113 6.946 9.302 1.00 0.00 O ATOM 0 H GLU A 9 8.260 4.810 8.993 1.00 0.00 H new ATOM 0 HA GLU A 9 11.123 4.750 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.902 4.484 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.454 3.791 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.821 6.736 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.473 6.102 11.793 1.00 0.00 H new ATOM 141 N ASN A 10 10.817 2.154 8.422 1.00 0.00 N ATOM 142 CA ASN A 10 10.560 0.745 8.208 1.00 0.00 C ATOM 143 C ASN A 10 10.717 0.066 9.551 1.00 0.00 C ATOM 144 O ASN A 10 11.836 -0.060 10.066 1.00 0.00 O ATOM 145 CB ASN A 10 11.503 0.175 7.147 1.00 0.00 C ATOM 146 CG ASN A 10 11.375 -1.335 6.977 1.00 0.00 C ATOM 147 OD1 ASN A 10 10.726 -2.036 7.751 1.00 0.00 O ATOM 148 ND2 ASN A 10 11.966 -1.854 5.919 1.00 0.00 N ATOM 0 H ASN A 10 11.797 2.417 8.314 1.00 0.00 H new ATOM 0 HA ASN A 10 9.554 0.575 7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.300 0.660 6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.531 0.418 7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.889 -2.854 5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.500 -1.256 5.288 1.00 0.00 H new ATOM 155 N ARG A 11 9.588 -0.331 10.137 1.00 0.00 N ATOM 156 CA ARG A 11 9.576 -1.003 11.421 1.00 0.00 C ATOM 157 C ARG A 11 8.669 -2.242 11.354 1.00 0.00 C ATOM 158 O ARG A 11 8.033 -2.596 12.348 1.00 0.00 O ATOM 159 CB ARG A 11 9.143 0.022 12.489 1.00 0.00 C ATOM 160 CG ARG A 11 10.035 1.269 12.652 1.00 0.00 C ATOM 161 CD ARG A 11 9.658 1.955 13.971 1.00 0.00 C ATOM 162 NE ARG A 11 10.717 2.844 14.471 1.00 0.00 N ATOM 163 CZ ARG A 11 11.404 2.701 15.612 1.00 0.00 C ATOM 164 NH1 ARG A 11 11.352 1.580 16.329 1.00 0.00 N ATOM 165 NH2 ARG A 11 12.137 3.717 16.049 1.00 0.00 N ATOM 0 H ARG A 11 8.663 -0.193 9.731 1.00 0.00 H new ATOM 0 HA ARG A 11 10.565 -1.372 11.693 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.133 0.355 12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.093 -0.489 13.451 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.088 0.986 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.893 1.951 11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.744 2.531 13.828 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.442 1.195 14.722 1.00 0.00 H new ATOM 0 HE ARG A 11 10.952 3.650 13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.777 0.799 16.013 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.887 1.502 17.194 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.170 4.587 15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.667 3.628 16.916 1.00 0.00 H new ATOM 179 N GLY A 12 8.695 -2.978 10.235 1.00 0.00 N ATOM 180 CA GLY A 12 7.988 -4.244 10.000 1.00 0.00 C ATOM 181 C GLY A 12 6.471 -4.200 10.166 1.00 0.00 C ATOM 182 O GLY A 12 5.740 -4.282 9.180 1.00 0.00 O ATOM 0 H GLY A 12 9.241 -2.689 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.214 -4.582 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.388 -4.993 10.683 1.00 0.00 H new ATOM 186 N LYS A 13 5.979 -4.176 11.403 1.00 0.00 N ATOM 187 CA LYS A 13 4.556 -4.142 11.766 1.00 0.00 C ATOM 188 C LYS A 13 4.277 -2.765 12.351 1.00 0.00 C ATOM 189 O LYS A 13 3.405 -2.046 11.866 1.00 0.00 O ATOM 190 CB LYS A 13 4.202 -5.249 12.790 1.00 0.00 C ATOM 191 CG LYS A 13 4.308 -6.661 12.202 1.00 0.00 C ATOM 192 CD LYS A 13 4.211 -7.813 13.196 1.00 0.00 C ATOM 193 CE LYS A 13 5.538 -7.932 13.946 1.00 0.00 C ATOM 194 NZ LYS A 13 5.579 -9.172 14.752 1.00 0.00 N ATOM 0 H LYS A 13 6.587 -4.180 12.222 1.00 0.00 H new ATOM 0 HA LYS A 13 3.941 -4.326 10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.867 -5.168 13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.188 -5.088 13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.520 -6.783 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.259 -6.742 11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.396 -7.638 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.988 -8.744 12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.364 -7.928 13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.672 -7.067 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.489 -9.231 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.803 -9.162 15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.474 -9.996 14.127 1.00 0.00 H new ATOM 208 N ASP A 14 5.123 -2.403 13.314 1.00 0.00 N ATOM 209 CA ASP A 14 5.167 -1.168 14.090 1.00 0.00 C ATOM 210 C ASP A 14 5.360 0.103 13.229 1.00 0.00 C ATOM 211 O ASP A 14 5.310 1.207 13.765 1.00 0.00 O ATOM 212 CB ASP A 14 6.301 -1.265 15.143 1.00 0.00 C ATOM 213 CG ASP A 14 6.396 -2.614 15.873 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.956 -3.575 15.287 1.00 0.00 O ATOM 215 OD2 ASP A 14 5.910 -2.727 17.023 1.00 0.00 O ATOM 0 H ASP A 14 5.872 -3.035 13.598 1.00 0.00 H new ATOM 0 HA ASP A 14 4.195 -1.065 14.572 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.253 -1.068 14.649 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.157 -0.478 15.883 1.00 0.00 H new ATOM 220 N SER A 15 5.596 -0.030 11.919 1.00 0.00 N ATOM 221 CA SER A 15 5.799 0.995 10.893 1.00 0.00 C ATOM 222 C SER A 15 4.725 2.094 10.965 1.00 0.00 C ATOM 223 O SER A 15 3.573 1.806 10.626 1.00 0.00 O ATOM 224 CB SER A 15 5.800 0.291 9.541 1.00 0.00 C ATOM 225 OG SER A 15 6.636 -0.855 9.548 1.00 0.00 O ATOM 0 H SER A 15 5.656 -0.962 11.509 1.00 0.00 H new ATOM 0 HA SER A 15 6.750 1.504 11.052 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.783 -0.002 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.138 0.984 8.770 1.00 0.00 H new ATOM 0 HG SER A 15 6.612 -1.283 8.667 1.00 0.00 H new ATOM 231 N PRO A 16 5.048 3.333 11.387 1.00 0.00 N ATOM 232 CA PRO A 16 4.064 4.412 11.454 1.00 0.00 C ATOM 233 C PRO A 16 3.754 4.937 10.049 1.00 0.00 C ATOM 234 O PRO A 16 4.672 5.135 9.251 1.00 0.00 O ATOM 235 CB PRO A 16 4.718 5.483 12.324 1.00 0.00 C ATOM 236 CG PRO A 16 6.210 5.286 12.052 1.00 0.00 C ATOM 237 CD PRO A 16 6.334 3.772 11.922 1.00 0.00 C ATOM 0 HA PRO A 16 3.111 4.087 11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.387 6.484 12.048 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.479 5.347 13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.526 5.797 11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.824 5.674 12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.153 3.499 11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.539 3.308 12.887 1.00 0.00 H new ATOM 245 N ILE A 17 2.480 5.189 9.737 1.00 0.00 N ATOM 246 CA ILE A 17 2.078 5.727 8.442 1.00 0.00 C ATOM 247 C ILE A 17 2.608 7.170 8.239 1.00 0.00 C ATOM 248 O ILE A 17 2.540 8.037 9.121 1.00 0.00 O ATOM 249 CB ILE A 17 0.545 5.564 8.281 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.110 5.777 6.816 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.227 6.489 9.225 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.322 5.319 6.505 1.00 0.00 C ATOM 0 H ILE A 17 1.702 5.025 10.376 1.00 0.00 H new ATOM 0 HA ILE A 17 2.539 5.161 7.633 1.00 0.00 H new ATOM 0 HB ILE A 17 0.300 4.539 8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.200 6.836 6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.799 5.241 6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.298 6.344 9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.035 6.256 10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.031 7.526 9.010 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.544 5.506 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.416 4.253 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.024 5.873 7.128 1.00 0.00 H new ATOM 264 N SER A 18 3.109 7.448 7.037 1.00 0.00 N ATOM 265 CA SER A 18 3.495 8.767 6.542 1.00 0.00 C ATOM 266 C SER A 18 2.239 9.580 6.211 1.00 0.00 C ATOM 267 O SER A 18 1.138 9.036 6.078 1.00 0.00 O ATOM 268 CB SER A 18 4.308 8.561 5.260 1.00 0.00 C ATOM 269 OG SER A 18 4.878 9.748 4.746 1.00 0.00 O ATOM 0 H SER A 18 3.265 6.717 6.343 1.00 0.00 H new ATOM 0 HA SER A 18 4.077 9.300 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.104 7.843 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.663 8.120 4.500 1.00 0.00 H new ATOM 0 HG SER A 18 5.382 9.543 3.931 1.00 0.00 H new ATOM 275 N GLU A 19 2.399 10.877 5.937 1.00 0.00 N ATOM 276 CA GLU A 19 1.296 11.742 5.533 1.00 0.00 C ATOM 277 C GLU A 19 1.377 12.172 4.062 1.00 0.00 C ATOM 278 O GLU A 19 0.335 12.480 3.469 1.00 0.00 O ATOM 279 CB GLU A 19 1.233 12.971 6.439 1.00 0.00 C ATOM 280 CG GLU A 19 0.823 12.658 7.884 1.00 0.00 C ATOM 281 CD GLU A 19 0.694 13.927 8.732 1.00 0.00 C ATOM 282 OE1 GLU A 19 0.359 15.008 8.184 1.00 0.00 O ATOM 283 OE2 GLU A 19 0.863 13.846 9.969 1.00 0.00 O ATOM 0 H GLU A 19 3.299 11.354 5.990 1.00 0.00 H new ATOM 0 HA GLU A 19 0.382 11.157 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.209 13.456 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.525 13.685 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.127 12.124 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.561 11.994 8.335 1.00 0.00 H new ATOM 290 N HIS A 20 2.570 12.188 3.454 1.00 0.00 N ATOM 291 CA HIS A 20 2.785 12.621 2.072 1.00 0.00 C ATOM 292 C HIS A 20 3.410 11.489 1.265 1.00 0.00 C ATOM 293 O HIS A 20 4.625 11.437 1.116 1.00 0.00 O ATOM 294 CB HIS A 20 3.675 13.875 1.983 1.00 0.00 C ATOM 295 CG HIS A 20 3.103 15.184 2.475 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.819 16.354 2.655 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.801 15.448 2.794 1.00 0.00 C ATOM 298 CE1 HIS A 20 2.966 17.299 3.092 1.00 0.00 C ATOM 299 NE2 HIS A 20 1.734 16.765 3.204 1.00 0.00 N ATOM 0 H HIS A 20 3.428 11.894 3.920 1.00 0.00 H new ATOM 0 HA HIS A 20 1.810 12.881 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.588 13.677 2.544 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.964 14.007 0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.976 14.754 2.736 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.227 18.322 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.899 17.249 3.534 1.00 0.00 H new ATOM 308 N PHE A 21 2.567 10.642 0.668 1.00 0.00 N ATOM 309 CA PHE A 21 2.957 9.551 -0.231 1.00 0.00 C ATOM 310 C PHE A 21 4.098 9.932 -1.187 1.00 0.00 C ATOM 311 O PHE A 21 5.072 9.195 -1.279 1.00 0.00 O ATOM 312 CB PHE A 21 1.720 9.086 -1.017 1.00 0.00 C ATOM 313 CG PHE A 21 2.019 8.064 -2.096 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.354 8.492 -3.398 1.00 0.00 C ATOM 315 CD2 PHE A 21 1.993 6.689 -1.798 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.700 7.552 -4.386 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.342 5.751 -2.786 1.00 0.00 C ATOM 318 CZ PHE A 21 2.707 6.185 -4.072 1.00 0.00 C ATOM 0 H PHE A 21 1.557 10.699 0.802 1.00 0.00 H new ATOM 0 HA PHE A 21 3.344 8.738 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.998 8.661 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.247 9.954 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.345 9.545 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.705 6.355 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.959 7.881 -5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.330 4.696 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.994 5.463 -4.822 1.00 0.00 H new ATOM 328 N GLY A 22 3.996 11.073 -1.885 1.00 0.00 N ATOM 329 CA GLY A 22 4.968 11.460 -2.911 1.00 0.00 C ATOM 330 C GLY A 22 6.400 11.662 -2.402 1.00 0.00 C ATOM 331 O GLY A 22 7.325 11.705 -3.206 1.00 0.00 O ATOM 0 H GLY A 22 3.242 11.747 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.979 10.695 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.631 12.385 -3.379 1.00 0.00 H new ATOM 335 N ARG A 23 6.594 11.779 -1.088 1.00 0.00 N ATOM 336 CA ARG A 23 7.890 11.840 -0.426 1.00 0.00 C ATOM 337 C ARG A 23 7.775 11.062 0.879 1.00 0.00 C ATOM 338 O ARG A 23 8.020 11.588 1.967 1.00 0.00 O ATOM 339 CB ARG A 23 8.325 13.303 -0.238 1.00 0.00 C ATOM 340 CG ARG A 23 7.351 14.175 0.578 1.00 0.00 C ATOM 341 CD ARG A 23 8.069 14.899 1.716 1.00 0.00 C ATOM 342 NE ARG A 23 9.040 15.881 1.215 1.00 0.00 N ATOM 343 CZ ARG A 23 9.549 16.906 1.899 1.00 0.00 C ATOM 344 NH1 ARG A 23 9.291 17.069 3.192 1.00 0.00 N ATOM 345 NH2 ARG A 23 10.315 17.770 1.253 1.00 0.00 N ATOM 0 H ARG A 23 5.816 11.836 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 23 8.674 11.382 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.298 13.316 0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.457 13.756 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.877 14.905 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.556 13.551 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.336 15.403 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.581 14.170 2.344 1.00 0.00 H new ATOM 0 HE ARG A 23 9.355 15.768 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.693 16.403 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.691 17.860 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.502 17.642 0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.719 18.564 1.749 1.00 0.00 H new ATOM 359 N ALA A 24 7.301 9.826 0.773 1.00 0.00 N ATOM 360 CA ALA A 24 7.500 8.839 1.812 1.00 0.00 C ATOM 361 C ALA A 24 8.909 8.231 1.630 1.00 0.00 C ATOM 362 O ALA A 24 9.450 8.282 0.520 1.00 0.00 O ATOM 363 CB ALA A 24 6.368 7.817 1.715 1.00 0.00 C ATOM 0 H ALA A 24 6.773 9.488 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 24 7.463 9.263 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.494 7.060 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.411 8.320 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.390 7.341 0.735 1.00 0.00 H new ATOM 369 N PRO A 25 9.543 7.728 2.702 1.00 0.00 N ATOM 370 CA PRO A 25 10.874 7.122 2.650 1.00 0.00 C ATOM 371 C PRO A 25 10.861 5.614 2.374 1.00 0.00 C ATOM 372 O PRO A 25 11.870 5.073 1.915 1.00 0.00 O ATOM 373 CB PRO A 25 11.497 7.414 4.014 1.00 0.00 C ATOM 374 CG PRO A 25 10.306 7.564 4.951 1.00 0.00 C ATOM 375 CD PRO A 25 9.166 8.046 4.066 1.00 0.00 C ATOM 0 HA PRO A 25 11.441 7.542 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.153 6.604 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.100 8.322 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.060 6.617 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.517 8.279 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.231 7.554 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.008 9.118 4.185 1.00 0.00 H new ATOM 383 N TYR A 26 9.751 4.932 2.659 1.00 0.00 N ATOM 384 CA TYR A 26 9.569 3.507 2.426 1.00 0.00 C ATOM 385 C TYR A 26 8.130 3.285 1.960 1.00 0.00 C ATOM 386 O TYR A 26 7.255 4.127 2.202 1.00 0.00 O ATOM 387 CB TYR A 26 9.816 2.716 3.721 1.00 0.00 C ATOM 388 CG TYR A 26 11.163 2.902 4.399 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.342 3.938 5.337 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.217 2.002 4.152 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.564 4.094 6.012 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.431 2.131 4.850 1.00 0.00 C ATOM 393 CZ TYR A 26 13.609 3.175 5.784 1.00 0.00 C ATOM 394 OH TYR A 26 14.780 3.314 6.457 1.00 0.00 O ATOM 0 H TYR A 26 8.930 5.375 3.072 1.00 0.00 H new ATOM 0 HA TYR A 26 10.277 3.162 1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.038 2.985 4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.693 1.656 3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.530 4.620 5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.093 1.212 3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.702 4.913 6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.231 1.428 4.671 1.00 0.00 H new ATOM 0 HH TYR A 26 15.398 2.602 6.189 1.00 0.00 H new ATOM 404 N PHE A 27 7.867 2.143 1.330 1.00 0.00 N ATOM 405 CA PHE A 27 6.525 1.676 0.987 1.00 0.00 C ATOM 406 C PHE A 27 6.407 0.263 1.537 1.00 0.00 C ATOM 407 O PHE A 27 7.066 -0.642 1.038 1.00 0.00 O ATOM 408 CB PHE A 27 6.261 1.710 -0.529 1.00 0.00 C ATOM 409 CG PHE A 27 6.139 3.104 -1.128 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.177 4.012 -0.648 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.989 3.506 -2.175 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.073 5.288 -1.223 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.869 4.775 -2.766 1.00 0.00 C ATOM 414 CZ PHE A 27 5.896 5.669 -2.295 1.00 0.00 C ATOM 0 H PHE A 27 8.601 1.499 1.036 1.00 0.00 H new ATOM 0 HA PHE A 27 5.774 2.335 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.069 1.182 -1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.343 1.160 -0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.520 3.728 0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.748 2.826 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.348 5.988 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.522 5.060 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.781 6.641 -2.752 1.00 0.00 H new ATOM 424 N ALA A 28 5.583 0.087 2.570 1.00 0.00 N ATOM 425 CA ALA A 28 5.184 -1.205 3.103 1.00 0.00 C ATOM 426 C ALA A 28 4.084 -1.699 2.170 1.00 0.00 C ATOM 427 O ALA A 28 2.914 -1.401 2.372 1.00 0.00 O ATOM 428 CB ALA A 28 4.651 -1.031 4.534 1.00 0.00 C ATOM 0 H ALA A 28 5.164 0.870 3.072 1.00 0.00 H new ATOM 0 HA ALA A 28 6.012 -1.912 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.352 -2.001 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.432 -0.605 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.790 -0.363 4.523 1.00 0.00 H new ATOM 434 N PHE A 29 4.467 -2.372 1.089 1.00 0.00 N ATOM 435 CA PHE A 29 3.561 -3.160 0.272 1.00 0.00 C ATOM 436 C PHE A 29 3.282 -4.466 1.017 1.00 0.00 C ATOM 437 O PHE A 29 4.114 -5.368 1.078 1.00 0.00 O ATOM 438 CB PHE A 29 4.147 -3.370 -1.135 1.00 0.00 C ATOM 439 CG PHE A 29 3.563 -2.462 -2.217 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.168 -2.274 -2.362 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.422 -1.822 -3.130 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.649 -1.397 -3.333 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.889 -1.044 -4.177 1.00 0.00 C ATOM 444 CZ PHE A 29 2.511 -0.783 -4.251 1.00 0.00 C ATOM 0 H PHE A 29 5.430 -2.383 0.754 1.00 0.00 H new ATOM 0 HA PHE A 29 2.614 -2.644 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.225 -3.212 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.989 -4.408 -1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.490 -2.813 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.492 -1.927 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.588 -1.198 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.549 -0.643 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.121 -0.117 -5.006 1.00 0.00 H new ATOM 454 N VAL A 30 2.137 -4.524 1.678 1.00 0.00 N ATOM 455 CA VAL A 30 1.643 -5.682 2.402 1.00 0.00 C ATOM 456 C VAL A 30 0.848 -6.536 1.428 1.00 0.00 C ATOM 457 O VAL A 30 0.169 -5.991 0.563 1.00 0.00 O ATOM 458 CB VAL A 30 0.766 -5.191 3.577 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.479 -6.344 4.545 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.407 -3.987 4.300 1.00 0.00 C ATOM 0 H VAL A 30 1.499 -3.729 1.726 1.00 0.00 H new ATOM 0 HA VAL A 30 2.456 -6.281 2.813 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.184 -4.844 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.139 -5.984 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.047 -7.140 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.419 -6.730 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.762 -3.670 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.381 -4.276 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.531 -3.164 3.596 1.00 0.00 H new ATOM 470 N LYS A 31 0.936 -7.858 1.517 1.00 0.00 N ATOM 471 CA LYS A 31 0.239 -8.738 0.588 1.00 0.00 C ATOM 472 C LYS A 31 -1.121 -9.125 1.181 1.00 0.00 C ATOM 473 O LYS A 31 -1.547 -8.564 2.192 1.00 0.00 O ATOM 474 CB LYS A 31 1.186 -9.895 0.236 1.00 0.00 C ATOM 475 CG LYS A 31 2.454 -9.355 -0.447 1.00 0.00 C ATOM 476 CD LYS A 31 3.248 -10.406 -1.236 1.00 0.00 C ATOM 477 CE LYS A 31 2.474 -10.907 -2.462 1.00 0.00 C ATOM 478 NZ LYS A 31 3.348 -11.605 -3.425 1.00 0.00 N ATOM 0 H LYS A 31 1.485 -8.345 2.226 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.009 -8.259 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.456 -10.442 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.681 -10.600 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.172 -8.548 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.104 -8.921 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.198 -9.978 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.481 -11.249 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.681 -11.581 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.993 -10.063 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.783 -11.926 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.090 -10.955 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.788 -12.426 -2.963 1.00 0.00 H new ATOM 492 N VAL A 32 -1.837 -10.050 0.540 1.00 0.00 N ATOM 493 CA VAL A 32 -3.033 -10.674 1.094 1.00 0.00 C ATOM 494 C VAL A 32 -3.067 -12.118 0.614 1.00 0.00 C ATOM 495 O VAL A 32 -2.878 -12.372 -0.577 1.00 0.00 O ATOM 496 CB VAL A 32 -4.324 -9.930 0.656 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.617 -10.622 1.125 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.391 -8.486 1.163 1.00 0.00 C ATOM 0 H VAL A 32 -1.597 -10.389 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.996 -10.627 2.182 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.262 -9.947 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.480 -10.050 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.662 -11.629 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.625 -10.678 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.317 -8.023 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.363 -8.481 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.541 -7.925 0.776 1.00 0.00 H new ATOM 508 N LYS A 33 -3.348 -13.046 1.531 1.00 0.00 N ATOM 509 CA LYS A 33 -3.565 -14.467 1.277 1.00 0.00 C ATOM 510 C LYS A 33 -4.815 -14.858 2.033 1.00 0.00 C ATOM 511 O LYS A 33 -4.779 -14.793 3.257 1.00 0.00 O ATOM 512 CB LYS A 33 -2.388 -15.306 1.800 1.00 0.00 C ATOM 513 CG LYS A 33 -2.583 -16.825 1.649 1.00 0.00 C ATOM 514 CD LYS A 33 -2.248 -17.565 2.947 1.00 0.00 C ATOM 515 CE LYS A 33 -3.348 -17.355 3.994 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.182 -18.272 5.140 1.00 0.00 N ATOM 0 H LYS A 33 -3.434 -12.812 2.520 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.658 -14.646 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.482 -15.012 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.230 -15.074 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.614 -17.034 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.949 -17.196 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.132 -18.630 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.295 -17.209 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.326 -16.323 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.324 -17.515 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.941 -18.105 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.227 -19.256 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.260 -18.101 5.591 1.00 0.00 H new ATOM 530 N ASN A 34 -5.866 -15.314 1.355 1.00 0.00 N ATOM 531 CA ASN A 34 -7.091 -15.856 1.956 1.00 0.00 C ATOM 532 C ASN A 34 -7.546 -15.061 3.188 1.00 0.00 C ATOM 533 O ASN A 34 -7.657 -15.607 4.287 1.00 0.00 O ATOM 534 CB ASN A 34 -6.954 -17.357 2.261 1.00 0.00 C ATOM 535 CG ASN A 34 -6.652 -18.196 1.028 1.00 0.00 C ATOM 536 OD1 ASN A 34 -7.251 -18.011 -0.032 1.00 0.00 O ATOM 537 ND2 ASN A 34 -5.683 -19.092 1.127 1.00 0.00 N ATOM 0 H ASN A 34 -5.893 -15.318 0.335 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.880 -15.744 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.160 -17.501 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.877 -17.714 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.417 -19.648 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.202 -19.227 2.016 1.00 0.00 H new ATOM 544 N ASN A 35 -7.767 -13.752 3.012 1.00 0.00 N ATOM 545 CA ASN A 35 -7.948 -12.757 4.080 1.00 0.00 C ATOM 546 C ASN A 35 -7.005 -12.976 5.268 1.00 0.00 C ATOM 547 O ASN A 35 -7.431 -13.208 6.402 1.00 0.00 O ATOM 548 CB ASN A 35 -9.399 -12.633 4.547 1.00 0.00 C ATOM 549 CG ASN A 35 -10.334 -11.911 3.597 1.00 0.00 C ATOM 550 OD1 ASN A 35 -9.915 -11.273 2.633 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.627 -12.018 3.826 1.00 0.00 N ATOM 0 H ASN A 35 -7.827 -13.338 2.082 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.677 -11.805 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.792 -13.634 4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.410 -12.113 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.295 -11.568 3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.960 -12.550 4.630 1.00 0.00 H new ATOM 558 N ALA A 36 -5.710 -12.870 5.019 1.00 0.00 N ATOM 559 CA ALA A 36 -4.658 -12.612 5.990 1.00 0.00 C ATOM 560 C ALA A 36 -3.586 -11.762 5.309 1.00 0.00 C ATOM 561 O ALA A 36 -3.613 -11.645 4.085 1.00 0.00 O ATOM 562 CB ALA A 36 -4.029 -13.926 6.447 1.00 0.00 C ATOM 0 H ALA A 36 -5.342 -12.968 4.073 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.074 -12.099 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.243 -13.720 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.792 -14.554 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.602 -14.443 5.588 1.00 0.00 H new ATOM 568 N ILE A 37 -2.609 -11.249 6.063 1.00 0.00 N ATOM 569 CA ILE A 37 -1.534 -10.363 5.587 1.00 0.00 C ATOM 570 C ILE A 37 -0.653 -11.014 4.508 1.00 0.00 C ATOM 571 O ILE A 37 -0.018 -10.307 3.741 1.00 0.00 O ATOM 572 CB ILE A 37 -0.718 -9.873 6.826 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.314 -8.589 7.438 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.778 -9.609 6.575 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.745 -8.726 7.974 1.00 0.00 C ATOM 0 H ILE A 37 -2.540 -11.445 7.062 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.976 -9.502 5.085 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.795 -10.718 7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.668 -8.259 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.300 -7.804 6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.248 -9.274 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.258 -10.527 6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.888 -8.839 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.073 -7.771 8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.411 -9.021 7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.769 -9.484 8.757 1.00 0.00 H new ATOM 587 N ALA A 38 -0.631 -12.344 4.401 1.00 0.00 N ATOM 588 CA ALA A 38 0.336 -13.170 3.670 1.00 0.00 C ATOM 589 C ALA A 38 1.814 -12.931 4.009 1.00 0.00 C ATOM 590 O ALA A 38 2.522 -13.891 4.327 1.00 0.00 O ATOM 591 CB ALA A 38 0.143 -13.000 2.164 1.00 0.00 C ATOM 0 H ALA A 38 -1.342 -12.916 4.857 1.00 0.00 H new ATOM 0 HA ALA A 38 0.119 -14.187 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.867 -13.618 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.867 -13.306 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.291 -11.954 1.894 1.00 0.00 H new ATOM 597 N ASP A 39 2.300 -11.710 3.803 1.00 0.00 N ATOM 598 CA ASP A 39 3.698 -11.306 3.742 1.00 0.00 C ATOM 599 C ASP A 39 3.769 -9.775 3.714 1.00 0.00 C ATOM 600 O ASP A 39 2.775 -9.113 3.396 1.00 0.00 O ATOM 601 CB ASP A 39 4.284 -11.849 2.436 1.00 0.00 C ATOM 602 CG ASP A 39 5.807 -11.868 2.359 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.514 -11.598 3.357 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.268 -12.267 1.261 1.00 0.00 O ATOM 0 H ASP A 39 1.675 -10.916 3.664 1.00 0.00 H new ATOM 0 HA ASP A 39 4.249 -11.686 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.917 -12.865 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.903 -11.249 1.610 1.00 0.00 H new ATOM 609 N ILE A 40 4.941 -9.204 3.978 1.00 0.00 N ATOM 610 CA ILE A 40 5.173 -7.768 4.127 1.00 0.00 C ATOM 611 C ILE A 40 6.460 -7.453 3.350 1.00 0.00 C ATOM 612 O ILE A 40 7.475 -8.114 3.577 1.00 0.00 O ATOM 613 CB ILE A 40 5.254 -7.451 5.649 1.00 0.00 C ATOM 614 CG1 ILE A 40 3.862 -7.436 6.341 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.049 -6.174 5.949 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.243 -6.059 6.668 1.00 0.00 C ATOM 0 H ILE A 40 5.793 -9.752 4.099 1.00 0.00 H new ATOM 0 HA ILE A 40 4.376 -7.143 3.724 1.00 0.00 H new ATOM 0 HB ILE A 40 5.811 -8.280 6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.163 -7.976 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.943 -7.998 7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.072 -6.004 7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.068 -6.284 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.573 -5.325 5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.274 -6.200 7.147 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.905 -5.513 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.113 -5.491 5.747 1.00 0.00 H new ATOM 628 N SER A 41 6.417 -6.448 2.471 1.00 0.00 N ATOM 629 CA SER A 41 7.529 -5.905 1.697 1.00 0.00 C ATOM 630 C SER A 41 7.620 -4.407 1.975 1.00 0.00 C ATOM 631 O SER A 41 6.972 -3.609 1.303 1.00 0.00 O ATOM 632 CB SER A 41 7.291 -6.167 0.202 1.00 0.00 C ATOM 633 OG SER A 41 7.779 -7.446 -0.165 1.00 0.00 O ATOM 0 H SER A 41 5.543 -5.961 2.270 1.00 0.00 H new ATOM 0 HA SER A 41 8.465 -6.385 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.226 -6.101 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.787 -5.399 -0.391 1.00 0.00 H new ATOM 0 HG SER A 41 7.617 -7.596 -1.120 1.00 0.00 H new ATOM 639 N VAL A 42 8.370 -4.012 2.999 1.00 0.00 N ATOM 640 CA VAL A 42 8.660 -2.621 3.316 1.00 0.00 C ATOM 641 C VAL A 42 9.963 -2.254 2.614 1.00 0.00 C ATOM 642 O VAL A 42 11.048 -2.277 3.192 1.00 0.00 O ATOM 643 CB VAL A 42 8.652 -2.389 4.837 1.00 0.00 C ATOM 644 CG1 VAL A 42 8.555 -0.908 5.215 1.00 0.00 C ATOM 645 CG2 VAL A 42 7.566 -3.161 5.587 1.00 0.00 C ATOM 0 H VAL A 42 8.804 -4.669 3.647 1.00 0.00 H new ATOM 0 HA VAL A 42 7.886 -1.949 2.946 1.00 0.00 H new ATOM 0 HB VAL A 42 9.619 -2.781 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.554 -0.809 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.409 -0.371 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.633 -0.489 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.632 -2.940 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.586 -2.864 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.705 -4.231 5.429 1.00 0.00 H new ATOM 655 N GLU A 43 9.850 -1.940 1.330 1.00 0.00 N ATOM 656 CA GLU A 43 10.992 -1.605 0.498 1.00 0.00 C ATOM 657 C GLU A 43 11.372 -0.154 0.784 1.00 0.00 C ATOM 658 O GLU A 43 10.482 0.688 0.978 1.00 0.00 O ATOM 659 CB GLU A 43 10.611 -1.721 -0.988 1.00 0.00 C ATOM 660 CG GLU A 43 9.945 -3.035 -1.411 1.00 0.00 C ATOM 661 CD GLU A 43 10.885 -4.217 -1.272 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.788 -4.348 -2.130 1.00 0.00 O ATOM 663 OE2 GLU A 43 10.674 -5.022 -0.338 1.00 0.00 O ATOM 0 H GLU A 43 8.958 -1.911 0.836 1.00 0.00 H new ATOM 0 HA GLU A 43 11.818 -2.283 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.938 -0.900 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.513 -1.585 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.057 -3.204 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.612 -2.956 -2.446 1.00 0.00 H new ATOM 670 N GLU A 44 12.659 0.182 0.705 1.00 0.00 N ATOM 671 CA GLU A 44 13.087 1.569 0.583 1.00 0.00 C ATOM 672 C GLU A 44 12.512 2.187 -0.694 1.00 0.00 C ATOM 673 O GLU A 44 12.259 1.489 -1.682 1.00 0.00 O ATOM 674 CB GLU A 44 14.622 1.663 0.569 1.00 0.00 C ATOM 675 CG GLU A 44 15.276 1.003 1.790 1.00 0.00 C ATOM 676 CD GLU A 44 15.880 -0.370 1.494 1.00 0.00 C ATOM 677 OE1 GLU A 44 15.147 -1.383 1.498 1.00 0.00 O ATOM 678 OE2 GLU A 44 17.125 -0.471 1.363 1.00 0.00 O ATOM 0 H GLU A 44 13.424 -0.493 0.724 1.00 0.00 H new ATOM 0 HA GLU A 44 12.714 2.122 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.001 1.192 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.916 2.712 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.058 1.660 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.531 0.900 2.579 1.00 0.00 H new ATOM 685 N ASN A 45 12.261 3.495 -0.669 1.00 0.00 N ATOM 686 CA ASN A 45 11.821 4.260 -1.829 1.00 0.00 C ATOM 687 C ASN A 45 13.045 4.902 -2.483 1.00 0.00 C ATOM 688 O ASN A 45 13.564 5.865 -1.912 1.00 0.00 O ATOM 689 CB ASN A 45 10.834 5.341 -1.377 1.00 0.00 C ATOM 690 CG ASN A 45 10.376 6.261 -2.504 1.00 0.00 C ATOM 691 OD1 ASN A 45 10.664 6.066 -3.681 1.00 0.00 O ATOM 692 ND2 ASN A 45 9.654 7.313 -2.167 1.00 0.00 N ATOM 0 H ASN A 45 12.360 4.060 0.174 1.00 0.00 H new ATOM 0 HA ASN A 45 11.324 3.609 -2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.961 4.862 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.299 5.942 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.335 7.964 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.415 7.475 -1.189 1.00 0.00 H new ATOM 699 N PRO A 46 13.511 4.448 -3.659 1.00 0.00 N ATOM 700 CA PRO A 46 14.698 5.015 -4.297 1.00 0.00 C ATOM 701 C PRO A 46 14.500 6.460 -4.777 1.00 0.00 C ATOM 702 O PRO A 46 15.470 7.106 -5.185 1.00 0.00 O ATOM 703 CB PRO A 46 15.029 4.061 -5.447 1.00 0.00 C ATOM 704 CG PRO A 46 13.671 3.472 -5.825 1.00 0.00 C ATOM 705 CD PRO A 46 12.946 3.385 -4.483 1.00 0.00 C ATOM 0 HA PRO A 46 15.520 5.094 -3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.486 4.587 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.730 3.286 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.138 4.109 -6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.772 2.493 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.871 3.517 -4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 46 13.095 2.410 -4.020 1.00 0.00 H new ATOM 713 N LEU A 47 13.281 7.000 -4.709 1.00 0.00 N ATOM 714 CA LEU A 47 12.930 8.372 -5.043 1.00 0.00 C ATOM 715 C LEU A 47 12.300 9.053 -3.817 1.00 0.00 C ATOM 716 O LEU A 47 11.348 9.830 -3.949 1.00 0.00 O ATOM 717 CB LEU A 47 11.996 8.392 -6.241 1.00 0.00 C ATOM 718 CG LEU A 47 12.685 7.943 -7.536 1.00 0.00 C ATOM 719 CD1 LEU A 47 11.729 7.040 -8.285 1.00 0.00 C ATOM 720 CD2 LEU A 47 13.099 9.128 -8.413 1.00 0.00 C ATOM 0 H LEU A 47 12.473 6.458 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 47 13.826 8.929 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.144 7.742 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.603 9.400 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 47 13.602 7.411 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.195 6.706 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.487 6.175 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.816 7.588 -8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.582 8.760 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.216 9.707 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.794 9.762 -7.863 1.00 0.00 H new ATOM 732 N ALA A 48 12.793 8.782 -2.607 1.00 0.00 N ATOM 733 CA ALA A 48 12.310 9.461 -1.401 1.00 0.00 C ATOM 734 C ALA A 48 12.711 10.939 -1.385 1.00 0.00 C ATOM 735 O ALA A 48 11.997 11.766 -0.806 1.00 0.00 O ATOM 736 CB ALA A 48 12.891 8.765 -0.170 1.00 0.00 C ATOM 0 H ALA A 48 13.528 8.096 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 48 11.221 9.409 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.536 9.264 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.572 7.723 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.979 8.811 -0.206 1.00 0.00 H new ATOM 742 N GLN A 49 13.823 11.283 -2.039 1.00 0.00 N ATOM 743 CA GLN A 49 14.332 12.634 -2.192 1.00 0.00 C ATOM 744 C GLN A 49 15.115 12.691 -3.508 1.00 0.00 C ATOM 745 O GLN A 49 16.341 12.595 -3.515 1.00 0.00 O ATOM 746 CB GLN A 49 15.181 12.990 -0.957 1.00 0.00 C ATOM 747 CG GLN A 49 15.834 14.381 -1.009 1.00 0.00 C ATOM 748 CD GLN A 49 17.313 14.320 -0.649 1.00 0.00 C ATOM 749 OE1 GLN A 49 18.173 14.278 -1.523 1.00 0.00 O ATOM 750 NE2 GLN A 49 17.647 14.279 0.624 1.00 0.00 N ATOM 0 H GLN A 49 14.416 10.589 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 49 13.535 13.376 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.550 12.932 -0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.963 12.240 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.719 14.800 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.319 15.051 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.924 14.315 1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.629 14.212 0.892 1.00 0.00 H new ATOM 759 N ASP A 50 14.406 12.831 -4.624 1.00 0.00 N ATOM 760 CA ASP A 50 14.948 13.388 -5.855 1.00 0.00 C ATOM 761 C ASP A 50 13.833 14.172 -6.547 1.00 0.00 C ATOM 762 O ASP A 50 13.670 15.359 -6.255 1.00 0.00 O ATOM 763 CB ASP A 50 15.567 12.321 -6.766 1.00 0.00 C ATOM 764 CG ASP A 50 16.304 12.974 -7.941 1.00 0.00 C ATOM 765 OD1 ASP A 50 15.681 13.735 -8.718 1.00 0.00 O ATOM 766 OD2 ASP A 50 17.518 12.735 -8.098 1.00 0.00 O ATOM 0 H ASP A 50 13.426 12.557 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 50 15.774 14.058 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.260 11.704 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.787 11.659 -7.142 1.00 0.00 H new ATOM 771 N HIS A 51 13.055 13.531 -7.428 1.00 0.00 N ATOM 772 CA HIS A 51 12.135 14.196 -8.352 1.00 0.00 C ATOM 773 C HIS A 51 10.760 14.473 -7.735 1.00 0.00 C ATOM 774 O HIS A 51 10.026 15.305 -8.265 1.00 0.00 O ATOM 775 CB HIS A 51 12.006 13.381 -9.648 1.00 0.00 C ATOM 776 CG HIS A 51 12.783 13.908 -10.832 1.00 0.00 C ATOM 777 ND1 HIS A 51 14.158 13.960 -10.950 1.00 0.00 N ATOM 778 CD2 HIS A 51 12.243 14.350 -12.010 1.00 0.00 C ATOM 779 CE1 HIS A 51 14.447 14.429 -12.180 1.00 0.00 C ATOM 780 NE2 HIS A 51 13.297 14.674 -12.844 1.00 0.00 N ATOM 0 H HIS A 51 13.049 12.515 -7.518 1.00 0.00 H new ATOM 0 HA HIS A 51 12.563 15.171 -8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 51 12.332 12.360 -9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.952 13.331 -9.921 1.00 0.00 H new ATOM 0 HD1 HIS A 51 14.834 13.692 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.192 14.430 -12.244 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.441 14.584 -12.572 1.00 0.00 H new ATOM 789 N VAL A 52 10.395 13.824 -6.628 1.00 0.00 N ATOM 790 CA VAL A 52 9.202 14.035 -5.795 1.00 0.00 C ATOM 791 C VAL A 52 7.873 13.647 -6.479 1.00 0.00 C ATOM 792 O VAL A 52 6.892 13.368 -5.796 1.00 0.00 O ATOM 793 CB VAL A 52 9.194 15.469 -5.204 1.00 0.00 C ATOM 794 CG1 VAL A 52 8.278 15.581 -3.974 1.00 0.00 C ATOM 795 CG2 VAL A 52 10.576 16.015 -4.803 1.00 0.00 C ATOM 0 H VAL A 52 10.975 13.071 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 52 9.274 13.334 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 52 8.820 16.073 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.303 16.602 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.257 15.324 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.624 14.896 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.467 17.022 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.017 15.368 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.225 16.042 -5.679 1.00 0.00 H new ATOM 805 N HIS A 53 7.783 13.603 -7.808 1.00 0.00 N ATOM 806 CA HIS A 53 6.743 12.939 -8.599 1.00 0.00 C ATOM 807 C HIS A 53 7.405 12.513 -9.911 1.00 0.00 C ATOM 808 O HIS A 53 8.526 12.949 -10.191 1.00 0.00 O ATOM 809 CB HIS A 53 5.547 13.878 -8.873 1.00 0.00 C ATOM 810 CG HIS A 53 4.557 14.085 -7.739 1.00 0.00 C ATOM 811 ND1 HIS A 53 3.886 15.268 -7.476 1.00 0.00 N ATOM 812 CD2 HIS A 53 4.236 13.189 -6.750 1.00 0.00 C ATOM 813 CE1 HIS A 53 3.234 15.111 -6.309 1.00 0.00 C ATOM 814 NE2 HIS A 53 3.422 13.860 -5.853 1.00 0.00 N ATOM 0 H HIS A 53 8.478 14.059 -8.400 1.00 0.00 H new ATOM 0 HA HIS A 53 6.340 12.083 -8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.941 14.853 -9.161 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.001 13.489 -9.732 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.556 12.160 -6.684 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.650 15.873 -5.815 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.032 13.472 -4.994 1.00 0.00 H new ATOM 823 N GLY A 54 6.748 11.686 -10.720 1.00 0.00 N ATOM 824 CA GLY A 54 7.252 11.254 -12.021 1.00 0.00 C ATOM 825 C GLY A 54 7.489 9.756 -11.990 1.00 0.00 C ATOM 826 O GLY A 54 6.573 9.001 -12.324 1.00 0.00 O ATOM 0 H GLY A 54 5.837 11.291 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.536 11.505 -12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.179 11.776 -12.257 1.00 0.00 H new ATOM 830 N ALA A 55 8.666 9.328 -11.527 1.00 0.00 N ATOM 831 CA ALA A 55 9.048 7.928 -11.391 1.00 0.00 C ATOM 832 C ALA A 55 8.669 7.294 -10.049 1.00 0.00 C ATOM 833 O ALA A 55 8.615 6.069 -9.983 1.00 0.00 O ATOM 834 CB ALA A 55 10.554 7.783 -11.559 1.00 0.00 C ATOM 0 H ALA A 55 9.400 9.970 -11.228 1.00 0.00 H new ATOM 0 HA ALA A 55 8.492 7.405 -12.170 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.832 6.734 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.846 8.141 -12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.064 8.370 -10.795 1.00 0.00 H new ATOM 840 N VAL A 56 8.371 8.065 -8.992 1.00 0.00 N ATOM 841 CA VAL A 56 7.963 7.487 -7.698 1.00 0.00 C ATOM 842 C VAL A 56 6.829 6.447 -7.913 1.00 0.00 C ATOM 843 O VAL A 56 6.918 5.347 -7.372 1.00 0.00 O ATOM 844 CB VAL A 56 7.527 8.601 -6.702 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.414 8.195 -5.716 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.706 9.181 -5.925 1.00 0.00 C ATOM 0 H VAL A 56 8.404 9.084 -9.005 1.00 0.00 H new ATOM 0 HA VAL A 56 8.819 6.975 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 56 7.105 9.367 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.180 9.037 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.522 7.908 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.752 7.352 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.348 9.954 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.190 8.389 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.423 9.615 -6.622 1.00 0.00 H new ATOM 856 N PRO A 57 5.750 6.742 -8.678 1.00 0.00 N ATOM 857 CA PRO A 57 4.710 5.764 -8.946 1.00 0.00 C ATOM 858 C PRO A 57 5.151 4.746 -9.993 1.00 0.00 C ATOM 859 O PRO A 57 4.676 3.624 -9.945 1.00 0.00 O ATOM 860 CB PRO A 57 3.521 6.552 -9.476 1.00 0.00 C ATOM 861 CG PRO A 57 4.122 7.800 -10.105 1.00 0.00 C ATOM 862 CD PRO A 57 5.498 7.945 -9.458 1.00 0.00 C ATOM 0 HA PRO A 57 4.472 5.206 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.959 5.973 -10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.829 6.809 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.204 7.697 -11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.502 8.676 -9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.267 8.075 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.529 8.828 -8.820 1.00 0.00 H new ATOM 870 N ASN A 58 6.029 5.113 -10.936 1.00 0.00 N ATOM 871 CA ASN A 58 6.525 4.197 -11.963 1.00 0.00 C ATOM 872 C ASN A 58 7.133 2.965 -11.297 1.00 0.00 C ATOM 873 O ASN A 58 6.855 1.852 -11.736 1.00 0.00 O ATOM 874 CB ASN A 58 7.544 4.909 -12.863 1.00 0.00 C ATOM 875 CG ASN A 58 8.026 4.030 -14.002 1.00 0.00 C ATOM 876 OD1 ASN A 58 9.094 3.433 -13.929 1.00 0.00 O ATOM 877 ND2 ASN A 58 7.282 3.978 -15.093 1.00 0.00 N ATOM 0 H ASN A 58 6.414 6.055 -11.005 1.00 0.00 H new ATOM 0 HA ASN A 58 5.698 3.873 -12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.094 5.814 -13.272 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.398 5.222 -12.263 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.593 3.433 -15.897 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.397 4.483 -15.131 1.00 0.00 H new ATOM 884 N PHE A 59 7.868 3.167 -10.198 1.00 0.00 N ATOM 885 CA PHE A 59 8.292 2.111 -9.292 1.00 0.00 C ATOM 886 C PHE A 59 7.082 1.342 -8.762 1.00 0.00 C ATOM 887 O PHE A 59 6.869 0.214 -9.173 1.00 0.00 O ATOM 888 CB PHE A 59 9.157 2.702 -8.170 1.00 0.00 C ATOM 889 CG PHE A 59 9.391 1.765 -7.004 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.135 0.583 -7.184 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.820 2.053 -5.749 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.307 -0.310 -6.113 1.00 0.00 C ATOM 893 CE2 PHE A 59 8.971 1.136 -4.695 1.00 0.00 C ATOM 894 CZ PHE A 59 9.714 -0.040 -4.870 1.00 0.00 C ATOM 0 H PHE A 59 8.188 4.093 -9.913 1.00 0.00 H new ATOM 0 HA PHE A 59 8.908 1.391 -9.831 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.121 2.993 -8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.681 3.611 -7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.574 0.363 -8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.271 2.971 -5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.896 -1.205 -6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.510 1.339 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.830 -0.735 -4.052 1.00 0.00 H new ATOM 904 N VAL A 60 6.244 1.890 -7.878 1.00 0.00 N ATOM 905 CA VAL A 60 5.182 1.067 -7.270 1.00 0.00 C ATOM 906 C VAL A 60 4.175 0.462 -8.284 1.00 0.00 C ATOM 907 O VAL A 60 3.425 -0.450 -7.935 1.00 0.00 O ATOM 908 CB VAL A 60 4.474 1.838 -6.139 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.318 1.950 -4.849 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.045 3.243 -6.535 1.00 0.00 C ATOM 0 H VAL A 60 6.271 2.863 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 60 5.685 0.201 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 60 3.589 1.232 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.759 2.504 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.542 0.952 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.249 2.473 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.554 3.725 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.921 3.823 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.352 3.189 -7.375 1.00 0.00 H new ATOM 920 N LYS A 61 4.138 0.931 -9.533 1.00 0.00 N ATOM 921 CA LYS A 61 3.352 0.374 -10.636 1.00 0.00 C ATOM 922 C LYS A 61 4.016 -0.853 -11.283 1.00 0.00 C ATOM 923 O LYS A 61 3.325 -1.611 -11.960 1.00 0.00 O ATOM 924 CB LYS A 61 3.086 1.478 -11.678 1.00 0.00 C ATOM 925 CG LYS A 61 1.816 1.247 -12.512 1.00 0.00 C ATOM 926 CD LYS A 61 2.017 1.241 -14.023 1.00 0.00 C ATOM 927 CE LYS A 61 2.576 2.544 -14.586 1.00 0.00 C ATOM 928 NZ LYS A 61 2.686 2.468 -16.055 1.00 0.00 N ATOM 0 H LYS A 61 4.680 1.747 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 61 2.406 0.019 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.004 2.437 -11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.943 1.547 -12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.377 0.294 -12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.092 2.022 -12.262 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.692 0.426 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.062 1.031 -14.504 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.928 3.375 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.556 2.744 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.068 3.363 -16.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.322 1.688 -16.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.745 2.299 -16.465 1.00 0.00 H new ATOM 942 N GLU A 62 5.318 -1.081 -11.091 1.00 0.00 N ATOM 943 CA GLU A 62 5.959 -2.371 -11.372 1.00 0.00 C ATOM 944 C GLU A 62 5.573 -3.417 -10.322 1.00 0.00 C ATOM 945 O GLU A 62 5.567 -4.615 -10.614 1.00 0.00 O ATOM 946 CB GLU A 62 7.503 -2.274 -11.507 1.00 0.00 C ATOM 947 CG GLU A 62 8.368 -2.237 -10.223 1.00 0.00 C ATOM 948 CD GLU A 62 9.799 -2.747 -10.379 1.00 0.00 C ATOM 949 OE1 GLU A 62 10.464 -2.282 -11.332 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.265 -3.502 -9.486 1.00 0.00 O ATOM 0 H GLU A 62 5.961 -0.374 -10.735 1.00 0.00 H new ATOM 0 HA GLU A 62 5.583 -2.689 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.835 -3.124 -12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.727 -1.375 -12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.405 -1.210 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.872 -2.829 -9.454 1.00 0.00 H new ATOM 957 N LYS A 63 5.256 -2.994 -9.090 1.00 0.00 N ATOM 958 CA LYS A 63 5.238 -3.879 -7.923 1.00 0.00 C ATOM 959 C LYS A 63 3.873 -4.552 -7.777 1.00 0.00 C ATOM 960 O LYS A 63 3.422 -4.782 -6.662 1.00 0.00 O ATOM 961 CB LYS A 63 5.595 -3.082 -6.646 1.00 0.00 C ATOM 962 CG LYS A 63 6.941 -2.336 -6.670 1.00 0.00 C ATOM 963 CD LYS A 63 8.171 -3.246 -6.757 1.00 0.00 C ATOM 964 CE LYS A 63 8.525 -3.848 -5.397 1.00 0.00 C ATOM 965 NZ LYS A 63 9.401 -5.029 -5.538 1.00 0.00 N ATOM 0 H LYS A 63 5.005 -2.028 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 63 5.985 -4.660 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.803 -2.356 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.599 -3.771 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.949 -1.654 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.020 -1.725 -5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.981 -4.047 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.020 -2.676 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.022 -3.096 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.611 -4.132 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.621 -5.412 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.916 -5.755 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.283 -4.752 -6.014 1.00 0.00 H new ATOM 979 N GLY A 64 3.251 -4.920 -8.898 1.00 0.00 N ATOM 980 CA GLY A 64 2.058 -5.763 -9.001 1.00 0.00 C ATOM 981 C GLY A 64 0.905 -5.378 -8.066 1.00 0.00 C ATOM 982 O GLY A 64 0.147 -6.256 -7.652 1.00 0.00 O ATOM 0 H GLY A 64 3.586 -4.620 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.697 -5.731 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.343 -6.795 -8.795 1.00 0.00 H new ATOM 986 N ALA A 65 0.798 -4.104 -7.671 1.00 0.00 N ATOM 987 CA ALA A 65 -0.088 -3.703 -6.590 1.00 0.00 C ATOM 988 C ALA A 65 -1.560 -3.698 -6.999 1.00 0.00 C ATOM 989 O ALA A 65 -1.874 -3.712 -8.189 1.00 0.00 O ATOM 990 CB ALA A 65 0.333 -2.327 -6.103 1.00 0.00 C ATOM 0 H ALA A 65 1.320 -3.335 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 65 0.001 -4.437 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.323 -2.012 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.361 -2.367 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.263 -1.613 -6.924 1.00 0.00 H new ATOM 996 N GLU A 66 -2.461 -3.608 -6.014 1.00 0.00 N ATOM 997 CA GLU A 66 -3.909 -3.654 -6.225 1.00 0.00 C ATOM 998 C GLU A 66 -4.649 -2.681 -5.296 1.00 0.00 C ATOM 999 O GLU A 66 -5.691 -2.171 -5.692 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.398 -5.105 -6.074 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.441 -5.799 -7.444 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.571 -7.323 -7.350 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -3.742 -7.986 -6.680 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -5.515 -7.893 -7.943 1.00 0.00 O ATOM 0 H GLU A 66 -2.199 -3.500 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.135 -3.322 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.735 -5.651 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.390 -5.116 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.281 -5.405 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.534 -5.552 -7.997 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.116 -2.367 -4.108 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.682 -1.397 -3.175 1.00 0.00 C ATOM 1013 C LEU A 67 -3.567 -0.488 -2.645 1.00 0.00 C ATOM 1014 O LEU A 67 -2.388 -0.862 -2.658 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.385 -2.132 -2.011 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.380 -1.255 -1.212 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.776 -1.322 -1.825 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.459 -1.679 0.255 1.00 0.00 C ATOM 0 H LEU A 67 -3.256 -2.795 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.422 -0.784 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.919 -2.994 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.627 -2.515 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.007 -0.232 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.458 -0.698 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.739 -0.963 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.129 -2.353 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.168 -1.039 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.791 -2.715 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.475 -1.585 0.714 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.928 0.672 -2.105 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.053 1.572 -1.364 1.00 0.00 C ATOM 1032 C VAL A 68 -3.869 2.118 -0.187 1.00 0.00 C ATOM 1033 O VAL A 68 -5.087 2.277 -0.306 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.544 2.716 -2.272 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.248 3.340 -1.744 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.265 2.281 -3.716 1.00 0.00 C ATOM 0 H VAL A 68 -4.882 1.026 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.169 1.046 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.362 3.437 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.929 4.138 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.420 3.749 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.471 2.577 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.912 3.136 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.504 1.501 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.181 1.896 -4.163 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.214 2.414 0.936 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.812 3.018 2.118 1.00 0.00 C ATOM 1048 C ILE A 69 -2.886 4.159 2.528 1.00 0.00 C ATOM 1049 O ILE A 69 -1.727 3.932 2.877 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.059 1.990 3.243 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -4.832 0.758 2.729 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.807 2.692 4.388 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.007 -0.363 3.767 1.00 0.00 C ATOM 0 H ILE A 69 -2.217 2.232 1.047 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.808 3.405 1.902 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.103 1.616 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.817 1.078 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.311 0.354 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.991 1.980 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.203 3.518 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.758 3.076 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.561 -1.189 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.028 -0.716 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.557 0.020 4.627 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.371 5.393 2.412 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.577 6.607 2.565 1.00 0.00 C ATOM 1067 C VAL A 70 -3.326 7.626 3.435 1.00 0.00 C ATOM 1068 O VAL A 70 -4.404 7.347 3.969 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.197 7.156 1.166 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.510 6.118 0.273 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.412 7.677 0.399 1.00 0.00 C ATOM 0 H VAL A 70 -4.352 5.580 2.204 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.645 6.387 3.086 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.502 7.968 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.271 6.568 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.592 5.777 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.177 5.269 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.095 8.051 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.129 6.868 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.880 8.484 0.963 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.757 8.825 3.587 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.402 9.944 4.261 1.00 0.00 C ATOM 1083 C ARG A 71 -3.567 11.073 3.252 1.00 0.00 C ATOM 1084 O ARG A 71 -4.433 10.964 2.387 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.607 10.321 5.522 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.404 9.114 6.445 1.00 0.00 C ATOM 1087 CD ARG A 71 -1.997 9.524 7.859 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.108 10.145 8.582 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.046 10.852 9.710 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -1.888 11.152 10.285 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.179 11.247 10.268 1.00 0.00 N ATOM 0 H ARG A 71 -1.823 9.044 3.239 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.399 9.688 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.637 10.726 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.133 11.108 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.326 8.535 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.638 8.463 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.651 8.648 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.160 10.220 7.810 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.036 10.023 8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.013 10.840 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.873 11.695 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.071 11.009 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.160 11.789 11.132 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.697 12.081 3.272 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.847 13.279 2.448 1.00 0.00 C ATOM 1107 C GLY A 72 -2.385 13.089 1.004 1.00 0.00 C ATOM 1108 O GLY A 72 -2.868 13.796 0.119 1.00 0.00 O ATOM 0 H GLY A 72 -1.865 12.090 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.894 13.582 2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.279 14.093 2.898 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.485 12.127 0.758 1.00 0.00 N ATOM 1113 CA ILE A 73 -0.931 11.731 -0.542 1.00 0.00 C ATOM 1114 C ILE A 73 -0.533 12.922 -1.434 1.00 0.00 C ATOM 1115 O ILE A 73 0.587 13.427 -1.289 1.00 0.00 O ATOM 1116 CB ILE A 73 -1.790 10.611 -1.207 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.387 10.295 -2.668 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.318 10.840 -1.166 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.603 8.829 -3.045 1.00 0.00 C ATOM 0 H ILE A 73 -1.098 11.566 1.517 1.00 0.00 H new ATOM 0 HA ILE A 73 0.037 11.261 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.560 9.755 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.965 10.927 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.337 10.550 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.824 10.007 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.648 10.909 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.561 11.766 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.302 8.672 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.004 8.193 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.657 8.575 -2.931 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.390 13.319 -2.374 1.00 0.00 N ATOM 1132 CA GLY A 74 -1.182 14.344 -3.384 1.00 0.00 C ATOM 1133 C GLY A 74 -1.740 13.874 -4.725 1.00 0.00 C ATOM 1134 O GLY A 74 -1.332 12.816 -5.209 1.00 0.00 O ATOM 0 H GLY A 74 -2.316 12.898 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.671 15.270 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.118 14.562 -3.479 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.651 14.648 -5.332 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.459 14.268 -6.501 1.00 0.00 C ATOM 1140 C ARG A 75 -2.621 13.632 -7.608 1.00 0.00 C ATOM 1141 O ARG A 75 -3.061 12.651 -8.196 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.266 15.483 -7.015 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.578 15.162 -7.769 1.00 0.00 C ATOM 1144 CD ARG A 75 -5.413 14.238 -8.984 1.00 0.00 C ATOM 1145 NE ARG A 75 -6.513 14.325 -9.965 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.144 13.283 -10.531 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -6.979 12.057 -10.048 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -7.939 13.479 -11.575 1.00 0.00 N ATOM 0 H ARG A 75 -2.854 15.594 -5.009 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.164 13.501 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.507 16.119 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.624 16.065 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.278 14.701 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.028 16.098 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.475 14.479 -9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.333 13.208 -8.635 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.821 15.259 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.371 11.903 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.460 11.269 -10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.070 14.420 -11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.419 12.689 -12.006 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.416 14.121 -7.912 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.653 13.533 -9.014 1.00 0.00 C ATOM 1164 C ARG A 76 -0.393 12.036 -8.820 1.00 0.00 C ATOM 1165 O ARG A 76 -0.380 11.297 -9.801 1.00 0.00 O ATOM 1166 CB ARG A 76 0.644 14.313 -9.248 1.00 0.00 C ATOM 1167 CG ARG A 76 1.358 13.743 -10.482 1.00 0.00 C ATOM 1168 CD ARG A 76 2.383 14.747 -11.034 1.00 0.00 C ATOM 1169 NE ARG A 76 2.776 14.452 -12.424 1.00 0.00 N ATOM 1170 CZ ARG A 76 2.042 14.664 -13.526 1.00 0.00 C ATOM 1171 NH1 ARG A 76 0.825 15.194 -13.434 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.535 14.363 -14.719 1.00 0.00 N ATOM 0 H ARG A 76 -0.960 14.896 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.265 13.615 -9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.425 15.371 -9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.290 14.240 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.860 12.812 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.626 13.504 -11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.964 15.752 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.270 14.740 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 76 3.701 14.045 -12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.444 15.442 -12.521 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.273 15.352 -14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.473 13.970 -14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.976 14.524 -15.557 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.192 11.569 -7.587 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.013 10.145 -7.345 1.00 0.00 C ATOM 1188 C ALA A 77 -1.336 9.382 -7.348 1.00 0.00 C ATOM 1189 O ALA A 77 -1.316 8.201 -7.667 1.00 0.00 O ATOM 1190 CB ALA A 77 0.721 9.933 -6.022 1.00 0.00 C ATOM 0 H ALA A 77 -0.150 12.152 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 77 0.585 9.746 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.852 8.865 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.697 10.416 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.138 10.366 -5.209 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.479 10.032 -7.106 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.787 9.424 -7.355 1.00 0.00 C ATOM 1198 C ILE A 78 -3.796 8.964 -8.823 1.00 0.00 C ATOM 1199 O ILE A 78 -4.104 7.820 -9.126 1.00 0.00 O ATOM 1200 CB ILE A 78 -4.938 10.398 -7.023 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -4.822 10.949 -5.589 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.340 9.808 -7.235 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.038 9.945 -4.460 1.00 0.00 C ATOM 0 H ILE A 78 -2.523 10.982 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.950 8.567 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.824 11.212 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.832 11.389 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.546 11.756 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.092 10.555 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.458 9.516 -8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.467 8.933 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.931 10.449 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.039 9.520 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.298 9.148 -4.535 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.357 9.819 -9.753 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.303 9.464 -11.167 1.00 0.00 C ATOM 1217 C ALA A 79 -2.362 8.277 -11.491 1.00 0.00 C ATOM 1218 O ALA A 79 -2.428 7.787 -12.619 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.938 10.706 -11.990 1.00 0.00 C ATOM 0 H ALA A 79 -3.034 10.764 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.297 9.111 -11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.897 10.443 -13.047 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.692 11.478 -11.837 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.965 11.081 -11.671 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.496 7.802 -10.576 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.787 6.536 -10.727 1.00 0.00 C ATOM 1227 C ALA A 80 -1.733 5.352 -10.560 1.00 0.00 C ATOM 1228 O ALA A 80 -1.853 4.555 -11.483 1.00 0.00 O ATOM 1229 CB ALA A 80 0.350 6.455 -9.714 1.00 0.00 C ATOM 0 H ALA A 80 -1.274 8.294 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.373 6.492 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.876 5.507 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.045 7.278 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.056 6.521 -8.705 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.422 5.259 -9.421 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.547 4.356 -9.176 1.00 0.00 C ATOM 1237 C PHE A 81 -4.420 4.256 -10.392 1.00 0.00 C ATOM 1238 O PHE A 81 -4.697 3.159 -10.857 1.00 0.00 O ATOM 1239 CB PHE A 81 -4.390 4.849 -7.992 1.00 0.00 C ATOM 1240 CG PHE A 81 -5.910 5.065 -8.139 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -6.786 4.037 -8.529 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -6.471 6.323 -7.865 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -8.176 4.218 -8.556 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -7.862 6.527 -7.888 1.00 0.00 C ATOM 1245 CZ PHE A 81 -8.716 5.462 -8.208 1.00 0.00 C ATOM 0 H PHE A 81 -2.201 5.836 -8.609 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.138 3.373 -8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.245 4.139 -7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.962 5.797 -7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.376 3.080 -8.816 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.820 7.152 -7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.825 3.404 -8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.271 7.500 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.787 5.601 -8.186 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.850 5.410 -10.882 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.847 5.482 -11.920 1.00 0.00 C ATOM 1257 C GLU A 82 -5.316 4.930 -13.248 1.00 0.00 C ATOM 1258 O GLU A 82 -6.112 4.700 -14.160 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.252 6.948 -12.119 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.969 7.651 -10.948 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.536 9.025 -11.347 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -7.209 9.556 -12.434 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.224 9.694 -10.544 1.00 0.00 O ATOM 0 H GLU A 82 -4.512 6.319 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.702 4.879 -11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.353 7.517 -12.354 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.901 7.003 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.780 7.017 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.271 7.776 -10.120 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.996 4.728 -13.393 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.464 4.070 -14.566 1.00 0.00 C ATOM 1272 C ALA A 83 -3.601 2.555 -14.438 1.00 0.00 C ATOM 1273 O ALA A 83 -3.572 1.870 -15.454 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.987 4.427 -14.726 1.00 0.00 C ATOM 0 H ALA A 83 -3.294 5.014 -12.710 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.026 4.405 -15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.586 3.931 -15.610 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.884 5.506 -14.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.436 4.099 -13.845 1.00 0.00 H new ATOM 1280 N MET A 84 -3.717 2.033 -13.211 1.00 0.00 N ATOM 1281 CA MET A 84 -3.687 0.591 -12.957 1.00 0.00 C ATOM 1282 C MET A 84 -4.924 0.122 -12.177 1.00 0.00 C ATOM 1283 O MET A 84 -4.987 -1.025 -11.742 1.00 0.00 O ATOM 1284 CB MET A 84 -2.342 0.181 -12.327 1.00 0.00 C ATOM 1285 CG MET A 84 -1.929 1.070 -11.153 1.00 0.00 C ATOM 1286 SD MET A 84 -0.439 0.635 -10.197 1.00 0.00 S ATOM 1287 CE MET A 84 -0.230 -1.148 -10.499 1.00 0.00 C ATOM 0 H MET A 84 -3.834 2.598 -12.370 1.00 0.00 H new ATOM 0 HA MET A 84 -3.747 0.062 -13.908 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.408 -0.852 -11.986 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.565 0.215 -13.091 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.790 2.080 -11.538 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.767 1.107 -10.457 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.570 -1.533 -9.867 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.159 -1.668 -10.265 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.024 -1.312 -11.546 1.00 0.00 H new ATOM 1297 N GLY A 85 -5.941 0.977 -12.022 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.156 0.686 -11.264 1.00 0.00 C ATOM 1299 C GLY A 85 -6.880 0.358 -9.796 1.00 0.00 C ATOM 1300 O GLY A 85 -7.672 -0.364 -9.186 1.00 0.00 O ATOM 0 H GLY A 85 -5.939 1.911 -12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.826 1.544 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.674 -0.154 -11.727 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.752 0.814 -9.250 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.249 0.430 -7.920 1.00 0.00 C ATOM 1306 C VAL A 86 -5.975 1.207 -6.815 1.00 0.00 C ATOM 1307 O VAL A 86 -5.630 2.351 -6.527 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.706 0.595 -7.923 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.031 0.842 -6.578 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.122 -0.692 -8.503 1.00 0.00 C ATOM 0 H VAL A 86 -5.143 1.478 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.464 -0.616 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.512 1.498 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.955 0.938 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.422 1.760 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.233 0.005 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.035 -0.621 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.418 -1.538 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.496 -0.837 -9.516 1.00 0.00 H new ATOM 1320 N LYS A 87 -7.021 0.625 -6.238 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.943 1.387 -5.398 1.00 0.00 C ATOM 1322 C LYS A 87 -7.200 1.999 -4.198 1.00 0.00 C ATOM 1323 O LYS A 87 -6.508 1.285 -3.468 1.00 0.00 O ATOM 1324 CB LYS A 87 -9.141 0.523 -5.014 1.00 0.00 C ATOM 1325 CG LYS A 87 -10.268 1.407 -4.458 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.092 0.729 -3.364 1.00 0.00 C ATOM 1327 CE LYS A 87 -12.038 -0.350 -3.891 1.00 0.00 C ATOM 1328 NZ LYS A 87 -11.587 -1.726 -3.611 1.00 0.00 N ATOM 0 H LYS A 87 -7.252 -0.364 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.346 2.231 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.496 -0.029 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.844 -0.214 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.836 2.325 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.930 1.694 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.416 0.283 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.674 1.485 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.023 -0.204 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.151 -0.227 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.276 -2.403 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.660 -1.885 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.506 -1.862 -2.583 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.352 3.307 -3.990 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.560 4.082 -3.051 1.00 0.00 C ATOM 1344 C VAL A 88 -7.485 4.602 -1.960 1.00 0.00 C ATOM 1345 O VAL A 88 -8.260 5.545 -2.140 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.735 5.161 -3.791 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -6.544 6.014 -4.787 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.999 6.081 -2.814 1.00 0.00 C ATOM 0 H VAL A 88 -8.048 3.865 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.808 3.468 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.015 4.591 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.886 6.744 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.977 5.368 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.341 6.534 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.431 6.825 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.723 6.584 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.318 5.490 -2.201 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.416 3.965 -0.802 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.144 4.393 0.375 1.00 0.00 C ATOM 1360 C ILE A 89 -7.285 5.443 1.071 1.00 0.00 C ATOM 1361 O ILE A 89 -6.076 5.264 1.236 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.478 3.151 1.224 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.632 2.417 0.489 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.809 3.600 2.660 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.985 1.003 0.936 1.00 0.00 C ATOM 0 H ILE A 89 -6.848 3.131 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.104 4.860 0.155 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.648 2.452 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.529 3.029 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.381 2.378 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.047 2.727 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.949 4.117 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.665 4.274 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.808 0.625 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.117 0.355 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.283 1.017 1.984 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.905 6.551 1.481 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.224 7.615 2.199 1.00 0.00 C ATOM 1379 C LYS A 90 -7.815 7.821 3.587 1.00 0.00 C ATOM 1380 O LYS A 90 -8.771 7.144 3.961 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.299 8.882 1.364 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.581 8.754 0.010 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.343 9.362 -1.154 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.683 8.695 -1.457 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.828 9.449 -0.894 1.00 0.00 N ATOM 0 H LYS A 90 -8.896 6.730 1.321 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.180 7.342 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.345 9.135 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.860 9.707 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.605 9.233 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.404 7.699 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.517 10.418 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.718 9.312 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.806 8.605 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.683 7.683 -1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.459 8.795 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.477 10.172 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.353 9.910 -1.665 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.246 8.772 4.330 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.741 9.142 5.644 1.00 0.00 C ATOM 1401 C GLY A 91 -7.487 8.051 6.682 1.00 0.00 C ATOM 1402 O GLY A 91 -8.157 8.015 7.711 1.00 0.00 O ATOM 0 H GLY A 91 -6.429 9.304 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.260 10.066 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.811 9.343 5.585 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.540 7.145 6.427 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.102 6.210 7.448 1.00 0.00 C ATOM 1408 C ALA A 92 -5.274 6.954 8.503 1.00 0.00 C ATOM 1409 O ALA A 92 -4.933 8.123 8.316 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.293 5.105 6.772 1.00 0.00 C ATOM 0 H ALA A 92 -6.069 7.045 5.528 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.955 5.760 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.954 4.391 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.917 4.593 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.429 5.541 6.270 1.00 0.00 H new ATOM 1416 N SER A 93 -4.876 6.266 9.569 1.00 0.00 N ATOM 1417 CA SER A 93 -3.867 6.696 10.526 1.00 0.00 C ATOM 1418 C SER A 93 -3.500 5.482 11.376 1.00 0.00 C ATOM 1419 O SER A 93 -4.325 4.573 11.500 1.00 0.00 O ATOM 1420 CB SER A 93 -4.379 7.848 11.396 1.00 0.00 C ATOM 1421 OG SER A 93 -5.603 7.555 12.033 1.00 0.00 O ATOM 0 H SER A 93 -5.267 5.352 9.798 1.00 0.00 H new ATOM 0 HA SER A 93 -2.988 7.074 10.004 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.630 8.086 12.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.501 8.737 10.777 1.00 0.00 H new ATOM 0 HG SER A 93 -5.882 8.322 12.575 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.310 5.478 11.972 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.851 4.404 12.848 1.00 0.00 C ATOM 1429 C GLY A 94 -0.659 3.676 12.236 1.00 0.00 C ATOM 1430 O GLY A 94 -0.044 4.158 11.286 1.00 0.00 O ATOM 0 H GLY A 94 -1.630 6.229 11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.573 4.815 13.819 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.663 3.698 13.022 1.00 0.00 H new ATOM 1434 N THR A 95 -0.268 2.546 12.818 1.00 0.00 N ATOM 1435 CA THR A 95 0.799 1.736 12.254 1.00 0.00 C ATOM 1436 C THR A 95 0.252 0.878 11.109 1.00 0.00 C ATOM 1437 O THR A 95 -0.962 0.763 10.922 1.00 0.00 O ATOM 1438 CB THR A 95 1.444 0.899 13.365 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.462 0.215 14.115 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.177 1.815 14.338 1.00 0.00 C ATOM 0 H THR A 95 -0.674 2.174 13.677 1.00 0.00 H new ATOM 0 HA THR A 95 1.576 2.372 11.831 1.00 0.00 H new ATOM 0 HB THR A 95 2.123 0.191 12.890 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.896 -0.314 14.817 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.634 1.217 15.126 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.952 2.366 13.805 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.470 2.517 14.779 1.00 0.00 H new ATOM 1448 N VAL A 96 1.145 0.250 10.338 1.00 0.00 N ATOM 1449 CA VAL A 96 0.756 -0.649 9.255 1.00 0.00 C ATOM 1450 C VAL A 96 -0.126 -1.760 9.806 1.00 0.00 C ATOM 1451 O VAL A 96 -1.198 -2.008 9.266 1.00 0.00 O ATOM 1452 CB VAL A 96 2.015 -1.193 8.550 1.00 0.00 C ATOM 1453 CG1 VAL A 96 1.774 -2.439 7.687 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.553 -0.085 7.650 1.00 0.00 C ATOM 0 H VAL A 96 2.154 0.352 10.449 1.00 0.00 H new ATOM 0 HA VAL A 96 0.174 -0.109 8.508 1.00 0.00 H new ATOM 0 HB VAL A 96 2.713 -1.493 9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.713 -2.752 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.388 -3.245 8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.050 -2.206 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.447 -0.437 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.795 0.188 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.803 0.786 8.255 1.00 0.00 H new ATOM 1464 N GLU A 97 0.310 -2.414 10.880 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.431 -3.511 11.495 1.00 0.00 C ATOM 1466 C GLU A 97 -1.863 -3.104 11.894 1.00 0.00 C ATOM 1467 O GLU A 97 -2.764 -3.940 11.858 1.00 0.00 O ATOM 1468 CB GLU A 97 0.350 -4.030 12.717 1.00 0.00 C ATOM 1469 CG GLU A 97 0.636 -2.914 13.740 1.00 0.00 C ATOM 1470 CD GLU A 97 1.324 -3.385 15.018 1.00 0.00 C ATOM 1471 OE1 GLU A 97 2.569 -3.516 15.047 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.631 -3.571 16.040 1.00 0.00 O ATOM 0 H GLU A 97 1.189 -2.197 11.349 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.531 -4.306 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.219 -4.825 13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.292 -4.467 12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.259 -2.156 13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.305 -2.433 14.006 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.078 -1.832 12.246 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.376 -1.297 12.613 1.00 0.00 C ATOM 1481 C GLU A 98 -4.166 -1.122 11.335 1.00 0.00 C ATOM 1482 O GLU A 98 -5.193 -1.773 11.169 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.290 0.065 13.318 1.00 0.00 C ATOM 1484 CG GLU A 98 -2.931 -0.011 14.794 1.00 0.00 C ATOM 1485 CD GLU A 98 -2.976 1.396 15.381 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -4.066 1.829 15.792 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -1.907 2.061 15.473 1.00 0.00 O ATOM 0 H GLU A 98 -1.332 -1.137 12.282 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.844 -1.990 13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.547 0.678 12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.248 0.574 13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.629 -0.662 15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.937 -0.441 14.920 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.693 -0.231 10.459 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.372 0.222 9.263 1.00 0.00 C ATOM 1496 C VAL A 99 -4.759 -0.957 8.369 1.00 0.00 C ATOM 1497 O VAL A 99 -5.881 -0.993 7.856 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.399 1.195 8.558 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.776 1.475 7.114 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.364 2.562 9.245 1.00 0.00 C ATOM 0 H VAL A 99 -2.781 0.210 10.579 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.309 0.726 9.501 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.435 0.689 8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.054 2.164 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.775 0.542 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.770 1.920 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.669 3.216 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.361 3.003 9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.038 2.442 10.278 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.849 -1.914 8.175 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.116 -3.104 7.388 1.00 0.00 C ATOM 1512 C VAL A 100 -5.292 -3.835 8.024 1.00 0.00 C ATOM 1513 O VAL A 100 -6.252 -4.156 7.322 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.843 -3.969 7.276 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.118 -5.315 6.599 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.790 -3.259 6.418 1.00 0.00 C ATOM 0 H VAL A 100 -2.906 -1.879 8.563 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.390 -2.850 6.364 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.494 -4.128 8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.193 -5.889 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.855 -5.870 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.502 -5.145 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.898 -3.881 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.191 -3.086 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.531 -2.304 6.876 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.257 -4.070 9.339 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.361 -4.782 9.966 1.00 0.00 C ATOM 1528 C ASN A 101 -7.667 -3.968 9.905 1.00 0.00 C ATOM 1529 O ASN A 101 -8.722 -4.572 9.731 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.003 -5.180 11.397 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.168 -5.920 12.040 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -7.427 -7.073 11.700 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.920 -5.276 12.914 1.00 0.00 N ATOM 0 H ASN A 101 -4.504 -3.788 9.966 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.536 -5.698 9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.116 -5.813 11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.760 -4.292 11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.735 -5.735 13.322 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.686 -4.320 13.181 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.632 -2.630 9.980 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.832 -1.795 9.850 1.00 0.00 C ATOM 1542 C GLN A 102 -9.482 -2.002 8.476 1.00 0.00 C ATOM 1543 O GLN A 102 -10.703 -2.159 8.363 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.535 -0.295 10.055 1.00 0.00 C ATOM 1545 CG GLN A 102 -8.037 0.056 11.465 1.00 0.00 C ATOM 1546 CD GLN A 102 -7.858 1.553 11.725 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.218 2.413 10.921 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -7.283 1.896 12.864 1.00 0.00 N ATOM 0 H GLN A 102 -6.774 -2.099 10.132 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.517 -2.109 10.638 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.787 0.019 9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.440 0.276 9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.741 -0.344 12.194 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.084 -0.445 11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.988 1.176 13.524 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.134 2.881 13.084 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.674 -1.986 7.414 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.120 -2.278 6.062 1.00 0.00 C ATOM 1559 C TYR A 103 -9.721 -3.668 5.933 1.00 0.00 C ATOM 1560 O TYR A 103 -10.838 -3.772 5.427 1.00 0.00 O ATOM 1561 CB TYR A 103 -7.968 -2.107 5.088 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.257 -2.679 3.708 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.322 -2.172 2.935 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.561 -3.823 3.267 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.711 -2.821 1.750 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -7.945 -4.479 2.088 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.043 -3.996 1.340 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.473 -4.680 0.247 1.00 0.00 O ATOM 0 H TYR A 103 -7.680 -1.766 7.476 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.911 -1.568 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.736 -1.046 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.081 -2.592 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.841 -1.281 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.726 -4.197 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.519 -2.422 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.403 -5.351 1.753 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.883 -4.057 -0.389 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.015 -4.713 6.377 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.507 -6.081 6.337 1.00 0.00 C ATOM 1580 C LEU A 104 -10.823 -6.208 7.101 1.00 0.00 C ATOM 1581 O LEU A 104 -11.683 -6.994 6.696 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.470 -7.059 6.920 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.485 -7.578 5.864 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.339 -6.623 5.557 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.846 -8.891 6.310 1.00 0.00 C ATOM 0 H LEU A 104 -8.080 -4.626 6.776 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.680 -6.337 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.915 -6.562 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.988 -7.904 7.373 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.094 -7.699 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.689 -7.065 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.741 -5.681 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.766 -6.439 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.152 -9.237 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.306 -8.734 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.623 -9.641 6.461 1.00 0.00 H new ATOM 1597 N SER A 105 -11.004 -5.414 8.157 1.00 0.00 N ATOM 1598 CA SER A 105 -12.232 -5.390 8.941 1.00 0.00 C ATOM 1599 C SER A 105 -13.351 -4.618 8.228 1.00 0.00 C ATOM 1600 O SER A 105 -14.460 -4.523 8.749 1.00 0.00 O ATOM 1601 CB SER A 105 -11.945 -4.806 10.327 1.00 0.00 C ATOM 1602 OG SER A 105 -10.858 -5.487 10.931 1.00 0.00 O ATOM 0 H SER A 105 -10.293 -4.764 8.493 1.00 0.00 H new ATOM 0 HA SER A 105 -12.587 -6.414 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.716 -3.744 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.831 -4.891 10.956 1.00 0.00 H new ATOM 0 HG SER A 105 -10.044 -4.949 10.841 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.092 -4.035 7.055 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.089 -3.333 6.267 1.00 0.00 C ATOM 1610 C GLY A 106 -14.389 -1.935 6.805 1.00 0.00 C ATOM 1611 O GLY A 106 -15.351 -1.318 6.343 1.00 0.00 O ATOM 0 H GLY A 106 -12.167 -4.042 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.742 -3.255 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.010 -3.917 6.250 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.621 -1.434 7.779 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.856 -0.133 8.404 1.00 0.00 C ATOM 1617 C GLN A 107 -13.419 0.995 7.468 1.00 0.00 C ATOM 1618 O GLN A 107 -14.120 1.993 7.300 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.075 -0.050 9.727 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.599 -1.026 10.794 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.976 -0.634 11.339 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -15.372 0.528 11.283 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.746 -1.576 11.851 1.00 0.00 N ATOM 0 H GLN A 107 -12.812 -1.927 8.157 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.922 -0.023 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.023 -0.260 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.132 0.968 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.655 -2.027 10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.887 -1.071 11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.413 -2.539 11.895 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.674 -1.341 12.202 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.244 0.828 6.867 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.589 1.824 6.024 1.00 0.00 C ATOM 1634 C LEU A 108 -12.276 1.886 4.653 1.00 0.00 C ATOM 1635 O LEU A 108 -12.843 0.877 4.211 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.097 1.439 5.936 1.00 0.00 C ATOM 1637 CG LEU A 108 -9.114 2.502 6.454 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -9.431 2.992 7.870 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.704 1.911 6.464 1.00 0.00 C ATOM 0 H LEU A 108 -11.704 -0.033 6.956 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.668 2.827 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.942 0.519 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.856 1.220 4.896 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.200 3.357 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.697 3.740 8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.427 3.434 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.395 2.151 8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.999 2.658 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.680 1.038 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.426 1.615 5.452 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.244 3.042 3.973 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.896 3.247 2.669 1.00 0.00 C ATOM 1653 C LYS A 109 -12.312 4.446 1.920 1.00 0.00 C ATOM 1654 O LYS A 109 -11.633 5.283 2.507 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.406 3.474 2.876 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.268 3.028 1.683 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.324 1.505 1.472 1.00 0.00 C ATOM 1658 CE LYS A 109 -15.257 1.194 -0.030 1.00 0.00 C ATOM 1659 NZ LYS A 109 -15.687 -0.176 -0.346 1.00 0.00 N ATOM 0 H LYS A 109 -11.759 3.871 4.317 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.721 2.353 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.727 2.934 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.583 4.533 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.283 3.400 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.881 3.494 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.495 1.024 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.243 1.102 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.885 1.901 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.236 1.340 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.622 -0.332 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.073 -0.855 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.671 -0.311 -0.037 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.612 4.550 0.629 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.127 5.504 -0.369 1.00 0.00 C ATOM 1675 C ASP A 110 -13.185 6.555 -0.724 1.00 0.00 C ATOM 1676 O ASP A 110 -13.151 7.132 -1.811 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.717 4.738 -1.644 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.907 3.982 -2.243 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.302 2.977 -1.612 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -13.425 4.384 -3.310 1.00 0.00 O ATOM 0 H ASP A 110 -13.273 3.897 0.209 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.271 6.028 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.320 5.437 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.918 4.035 -1.408 1.00 0.00 H new ATOM 1685 N SER A 111 -14.134 6.834 0.156 1.00 0.00 N ATOM 1686 CA SER A 111 -15.264 7.722 -0.118 1.00 0.00 C ATOM 1687 C SER A 111 -14.896 9.216 -0.027 1.00 0.00 C ATOM 1688 O SER A 111 -15.647 10.002 0.547 1.00 0.00 O ATOM 1689 CB SER A 111 -16.420 7.334 0.809 1.00 0.00 C ATOM 1690 OG SER A 111 -16.791 5.993 0.544 1.00 0.00 O ATOM 0 H SER A 111 -14.145 6.445 1.099 1.00 0.00 H new ATOM 0 HA SER A 111 -15.576 7.589 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 111 -16.120 7.443 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 111 -17.269 7.998 0.650 1.00 0.00 H new ATOM 0 HG SER A 111 -17.530 5.735 1.134 1.00 0.00 H new ATOM 1696 N ASP A 112 -13.767 9.635 -0.617 1.00 0.00 N ATOM 1697 CA ASP A 112 -13.359 11.040 -0.652 1.00 0.00 C ATOM 1698 C ASP A 112 -12.725 11.343 -2.005 1.00 0.00 C ATOM 1699 O ASP A 112 -11.496 11.432 -2.136 1.00 0.00 O ATOM 1700 CB ASP A 112 -12.433 11.405 0.530 1.00 0.00 C ATOM 1701 CG ASP A 112 -13.207 11.980 1.713 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -13.963 12.958 1.510 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -13.033 11.458 2.837 1.00 0.00 O ATOM 0 H ASP A 112 -13.113 9.006 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 112 -14.241 11.669 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.889 10.516 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.690 12.130 0.197 1.00 0.00 H new ATOM 1708 N TYR A 113 -13.560 11.441 -3.035 1.00 0.00 N ATOM 1709 CA TYR A 113 -13.177 11.837 -4.378 1.00 0.00 C ATOM 1710 C TYR A 113 -14.458 12.241 -5.093 1.00 0.00 C ATOM 1711 O TYR A 113 -15.183 11.365 -5.556 1.00 0.00 O ATOM 1712 CB TYR A 113 -12.489 10.663 -5.102 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.927 10.957 -6.484 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -12.765 11.070 -7.609 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.535 11.050 -6.658 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -12.217 11.250 -8.891 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.977 11.183 -7.940 1.00 0.00 C ATOM 1718 CZ TYR A 113 -10.817 11.255 -9.068 1.00 0.00 C ATOM 1719 OH TYR A 113 -10.282 11.299 -10.315 1.00 0.00 O ATOM 0 H TYR A 113 -14.556 11.239 -2.950 1.00 0.00 H new ATOM 0 HA TYR A 113 -12.468 12.664 -4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -11.676 10.303 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -13.208 9.848 -5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -13.837 11.018 -7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.887 11.019 -5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -12.868 11.385 -9.742 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.905 11.230 -8.061 1.00 0.00 H new ATOM 0 HH TYR A 113 -9.787 10.471 -10.488 1.00 0.00 H new ATOM 1729 N GLU A 114 -14.745 13.537 -5.196 1.00 0.00 N ATOM 1730 CA GLU A 114 -15.690 14.021 -6.192 1.00 0.00 C ATOM 1731 C GLU A 114 -15.448 15.504 -6.456 1.00 0.00 C ATOM 1732 O GLU A 114 -14.801 16.174 -5.651 1.00 0.00 O ATOM 1733 CB GLU A 114 -17.139 13.721 -5.759 1.00 0.00 C ATOM 1734 CG GLU A 114 -17.828 12.875 -6.836 1.00 0.00 C ATOM 1735 CD GLU A 114 -19.032 12.111 -6.301 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -18.838 11.080 -5.626 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -20.170 12.500 -6.656 1.00 0.00 O ATOM 0 H GLU A 114 -14.339 14.263 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.533 13.493 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.143 13.191 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -17.685 14.652 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.147 13.523 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.110 12.168 -7.252 1.00 0.00 H new ATOM 1744 N VAL A 115 -15.959 16.019 -7.577 1.00 0.00 N ATOM 1745 CA VAL A 115 -16.008 17.393 -8.053 1.00 0.00 C ATOM 1746 C VAL A 115 -14.729 18.256 -7.961 1.00 0.00 C ATOM 1747 O VAL A 115 -14.780 19.435 -8.302 1.00 0.00 O ATOM 1748 CB VAL A 115 -17.283 18.057 -7.503 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -18.556 17.232 -7.768 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -17.217 18.419 -6.010 1.00 0.00 C ATOM 0 H VAL A 115 -16.403 15.398 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.056 17.327 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 115 -17.340 18.989 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -19.420 17.754 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -18.689 17.102 -8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -18.462 16.255 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -18.156 18.882 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -17.051 17.515 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -16.397 19.117 -5.841 1.00 0.00 H new ATOM 1760 N HIS A 116 -13.581 17.707 -7.551 1.00 0.00 N ATOM 1761 CA HIS A 116 -12.344 18.453 -7.327 1.00 0.00 C ATOM 1762 C HIS A 116 -11.828 19.110 -8.605 1.00 0.00 C ATOM 1763 O HIS A 116 -11.673 20.329 -8.635 1.00 0.00 O ATOM 1764 CB HIS A 116 -11.261 17.552 -6.704 1.00 0.00 C ATOM 1765 CG HIS A 116 -11.174 17.652 -5.201 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -10.231 18.391 -4.511 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -11.959 17.008 -4.285 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -10.445 18.195 -3.196 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -11.505 17.376 -3.032 1.00 0.00 N ATOM 0 H HIS A 116 -13.487 16.709 -7.362 1.00 0.00 H new ATOM 0 HA HIS A 116 -12.578 19.252 -6.623 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -11.462 16.516 -6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -10.294 17.814 -7.133 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -12.779 16.338 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.860 18.626 -2.397 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -11.902 17.080 -2.140 1.00 0.00 H new ATOM 1778 N ASP A 117 -11.435 18.318 -9.607 1.00 0.00 N ATOM 1779 CA ASP A 117 -10.741 18.819 -10.796 1.00 0.00 C ATOM 1780 C ASP A 117 -10.742 17.747 -11.882 1.00 0.00 C ATOM 1781 O ASP A 117 -10.489 16.571 -11.583 1.00 0.00 O ATOM 1782 CB ASP A 117 -9.277 19.155 -10.449 1.00 0.00 C ATOM 1783 CG ASP A 117 -8.485 19.632 -11.672 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -7.993 18.769 -12.438 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -8.364 20.860 -11.875 1.00 0.00 O ATOM 0 H ASP A 117 -11.590 17.310 -9.616 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.255 19.713 -11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.256 19.928 -9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.794 18.273 -10.027 1.00 0.00 H new ATOM 1790 N HIS A 118 -10.922 18.149 -13.140 1.00 0.00 N ATOM 1791 CA HIS A 118 -10.697 17.335 -14.330 1.00 0.00 C ATOM 1792 C HIS A 118 -9.488 17.917 -15.064 1.00 0.00 C ATOM 1793 O HIS A 118 -9.565 19.030 -15.592 1.00 0.00 O ATOM 1794 CB HIS A 118 -11.968 17.350 -15.200 1.00 0.00 C ATOM 1795 CG HIS A 118 -12.131 16.193 -16.162 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -13.347 15.611 -16.459 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -11.156 15.499 -16.832 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -13.120 14.565 -17.270 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -11.797 14.475 -17.510 1.00 0.00 N ATOM 0 H HIS A 118 -11.242 19.091 -13.365 1.00 0.00 H new ATOM 0 HA HIS A 118 -10.490 16.295 -14.079 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -12.835 17.372 -14.540 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.980 18.277 -15.773 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.097 15.709 -16.831 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -13.876 13.903 -17.666 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.344 13.771 -18.093 1.00 0.00 H new ATOM 1808 N HIS A 119 -8.381 17.180 -15.143 1.00 0.00 N ATOM 1809 CA HIS A 119 -7.280 17.464 -16.066 1.00 0.00 C ATOM 1810 C HIS A 119 -6.583 16.149 -16.383 1.00 0.00 C ATOM 1811 O HIS A 119 -6.578 15.254 -15.532 1.00 0.00 O ATOM 1812 CB HIS A 119 -6.288 18.460 -15.436 1.00 0.00 C ATOM 1813 CG HIS A 119 -5.402 19.208 -16.412 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -4.206 19.834 -16.092 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -5.700 19.512 -17.717 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -3.795 20.501 -17.188 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -4.676 20.308 -18.189 1.00 0.00 N ATOM 0 H HIS A 119 -8.220 16.358 -14.561 1.00 0.00 H new ATOM 0 HA HIS A 119 -7.665 17.917 -16.980 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -6.853 19.188 -14.854 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -5.651 17.918 -14.737 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.570 19.190 -18.269 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.898 21.098 -17.254 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.599 20.685 -19.134 1.00 0.00 H new ATOM 1826 N HIS A 120 -5.984 16.017 -17.565 1.00 0.00 N ATOM 1827 CA HIS A 120 -5.080 14.920 -17.891 1.00 0.00 C ATOM 1828 C HIS A 120 -4.120 15.377 -18.993 1.00 0.00 C ATOM 1829 O HIS A 120 -4.304 16.464 -19.550 1.00 0.00 O ATOM 1830 CB HIS A 120 -5.893 13.663 -18.290 1.00 0.00 C ATOM 1831 CG HIS A 120 -5.379 12.367 -17.699 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -5.568 11.100 -18.230 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -4.827 12.213 -16.453 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -5.144 10.210 -17.318 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -4.670 10.858 -16.244 1.00 0.00 N ATOM 0 H HIS A 120 -6.115 16.678 -18.331 1.00 0.00 H new ATOM 0 HA HIS A 120 -4.483 14.644 -17.022 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.929 13.803 -17.980 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -5.894 13.577 -19.377 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -4.565 13.003 -15.765 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -5.179 9.137 -17.432 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.263 10.424 -15.415 1.00 0.00 H new ATOM 1844 N HIS A 121 -3.159 14.518 -19.349 1.00 0.00 N ATOM 1845 CA HIS A 121 -2.008 14.779 -20.218 1.00 0.00 C ATOM 1846 C HIS A 121 -1.080 15.845 -19.621 1.00 0.00 C ATOM 1847 O HIS A 121 -1.448 16.613 -18.731 1.00 0.00 O ATOM 1848 CB HIS A 121 -2.417 15.102 -21.676 1.00 0.00 C ATOM 1849 CG HIS A 121 -2.718 13.908 -22.554 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -3.940 13.585 -23.126 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -1.777 13.046 -23.053 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -3.737 12.549 -23.965 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -2.433 12.207 -23.933 1.00 0.00 N ATOM 0 H HIS A 121 -3.166 13.555 -19.014 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.439 13.851 -20.270 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -3.298 15.744 -21.653 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -1.616 15.677 -22.139 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.726 13.026 -22.806 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.496 12.070 -24.566 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -2.002 11.454 -24.469 1.00 0.00 H new ATOM 1862 N GLU A 122 0.135 15.897 -20.154 1.00 0.00 N ATOM 1863 CA GLU A 122 1.164 16.912 -19.953 1.00 0.00 C ATOM 1864 C GLU A 122 1.718 17.277 -21.340 1.00 0.00 C ATOM 1865 O GLU A 122 1.143 16.844 -22.352 1.00 0.00 O ATOM 1866 CB GLU A 122 2.218 16.412 -18.948 1.00 0.00 C ATOM 1867 CG GLU A 122 2.863 15.058 -19.295 1.00 0.00 C ATOM 1868 CD GLU A 122 4.333 15.141 -19.694 1.00 0.00 C ATOM 1869 OE1 GLU A 122 4.614 15.729 -20.759 1.00 0.00 O ATOM 1870 OE2 GLU A 122 5.170 14.508 -19.001 1.00 0.00 O ATOM 0 H GLU A 122 0.453 15.168 -20.793 1.00 0.00 H new ATOM 0 HA GLU A 122 0.769 17.823 -19.503 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.005 17.162 -18.868 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.752 16.333 -17.966 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.770 14.395 -18.435 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.303 14.602 -20.112 1.00 0.00 H new ATOM 1877 N HIS A 123 2.770 18.104 -21.423 1.00 0.00 N ATOM 1878 CA HIS A 123 3.260 18.601 -22.708 1.00 0.00 C ATOM 1879 C HIS A 123 4.781 18.840 -22.741 1.00 0.00 C ATOM 1880 O HIS A 123 5.205 19.887 -23.240 1.00 0.00 O ATOM 1881 CB HIS A 123 2.432 19.836 -23.126 1.00 0.00 C ATOM 1882 CG HIS A 123 2.447 20.049 -24.619 1.00 0.00 C ATOM 1883 ND1 HIS A 123 3.115 21.054 -25.288 1.00 0.00 N ATOM 1884 CD2 HIS A 123 1.896 19.211 -25.548 1.00 0.00 C ATOM 1885 CE1 HIS A 123 3.009 20.811 -26.606 1.00 0.00 C ATOM 1886 NE2 HIS A 123 2.275 19.692 -26.789 1.00 0.00 N ATOM 0 H HIS A 123 3.294 18.440 -20.615 1.00 0.00 H new ATOM 0 HA HIS A 123 3.112 17.820 -23.453 1.00 0.00 H new ATOM 0 HB2 HIS A 123 1.403 19.714 -22.788 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.827 20.722 -22.630 1.00 0.00 H new ATOM 0 HD2 HIS A 123 1.284 18.343 -25.352 1.00 0.00 H new ATOM 0 HE1 HIS A 123 3.441 21.413 -27.392 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.040 19.273 -27.689 1.00 0.00 H new ATOM 1895 N HIS A 124 5.562 17.826 -22.349 1.00 0.00 N ATOM 1896 CA HIS A 124 7.025 17.685 -22.355 1.00 0.00 C ATOM 1897 C HIS A 124 7.562 18.053 -20.991 1.00 0.00 C ATOM 1898 O HIS A 124 7.258 19.154 -20.491 1.00 0.00 O ATOM 1899 CB HIS A 124 7.725 18.530 -23.435 1.00 0.00 C ATOM 1900 CG HIS A 124 9.214 18.317 -23.540 1.00 0.00 C ATOM 1901 ND1 HIS A 124 10.191 19.106 -22.960 1.00 0.00 N ATOM 1902 CD2 HIS A 124 9.833 17.371 -24.304 1.00 0.00 C ATOM 1903 CE1 HIS A 124 11.383 18.643 -23.381 1.00 0.00 C ATOM 1904 NE2 HIS A 124 11.194 17.589 -24.195 1.00 0.00 N ATOM 0 H HIS A 124 5.131 16.981 -21.974 1.00 0.00 H new ATOM 0 HA HIS A 124 7.242 16.644 -22.595 1.00 0.00 H new ATOM 0 HB2 HIS A 124 7.272 18.307 -24.401 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.537 19.584 -23.230 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.351 16.598 -24.884 1.00 0.00 H new ATOM 0 HE1 HIS A 124 12.343 19.055 -23.107 1.00 0.00 H new ATOM 0 HE2 HIS A 124 11.926 17.046 -24.652 1.00 0.00 H new TER 1913 HIS A 124