USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 927 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 Single : A 4 ASN : amide:sc= -2.96! K(o=-3!,f=-1.3) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.061) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 55:sc= 0.159 USER MOD Single : A 25 ASN : amide:sc= 0.235 X(o=0.24,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.0716 X(o=0.072,f=-0.32) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 132:sc= 1.34 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -172:sc= -0.878 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -152:sc= 0.36 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.33 K(o=-3.3,f=-8.4!) USER MOD Single : A 68 ASN : amide:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.17) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 84 HIS : no HD1:sc= 0.652 K(o=0.65,f=-4.7!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 99 LYS NZ :NH3+ 175:sc= -2.39 (180deg=-2.53!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 105 SER OG : rot -55:sc= 0.99 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -4.556 -13.286 -10.003 1.00 0.00 N ATOM 41 CA ASN A 4 -4.607 -12.020 -9.275 1.00 0.00 C ATOM 42 C ASN A 4 -4.097 -12.196 -7.844 1.00 0.00 C ATOM 43 O ASN A 4 -4.823 -12.685 -6.979 1.00 0.00 O ATOM 44 CB ASN A 4 -6.035 -11.471 -9.259 1.00 0.00 C ATOM 45 CG ASN A 4 -6.071 -9.956 -9.209 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.250 -9.294 -10.231 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.899 -9.399 -8.016 1.00 0.00 N ATOM 0 HA ASN A 4 -3.961 -11.308 -9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.564 -11.815 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.566 -11.873 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.912 -8.384 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.754 -9.987 -7.195 1.00 0.00 H new ATOM 54 N PRO A 5 -2.839 -11.795 -7.575 1.00 0.00 N ATOM 55 CA PRO A 5 -2.237 -11.917 -6.241 1.00 0.00 C ATOM 56 C PRO A 5 -3.130 -11.356 -5.138 1.00 0.00 C ATOM 57 O PRO A 5 -3.117 -11.846 -4.009 1.00 0.00 O ATOM 58 CB PRO A 5 -0.953 -11.094 -6.357 1.00 0.00 C ATOM 59 CG PRO A 5 -0.597 -11.156 -7.801 1.00 0.00 C ATOM 60 CD PRO A 5 -1.902 -11.198 -8.548 1.00 0.00 C ATOM 0 HA PRO A 5 -2.073 -12.959 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.110 -10.066 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.159 -11.508 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.007 -10.288 -8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.005 -12.039 -8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.222 -10.202 -8.853 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.827 -11.800 -9.454 1.00 0.00 H new ATOM 68 N ALA A 6 -3.904 -10.326 -5.468 1.00 0.00 N ATOM 69 CA ALA A 6 -4.798 -9.702 -4.499 1.00 0.00 C ATOM 70 C ALA A 6 -5.925 -10.650 -4.097 1.00 0.00 C ATOM 71 O ALA A 6 -6.320 -10.700 -2.931 1.00 0.00 O ATOM 72 CB ALA A 6 -5.370 -8.409 -5.063 1.00 0.00 C ATOM 0 H ALA A 6 -3.930 -9.907 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.218 -9.471 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.035 -7.955 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.557 -7.720 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.928 -8.625 -5.974 1.00 0.00 H new ATOM 78 N GLU A 7 -6.436 -11.400 -5.068 1.00 0.00 N ATOM 79 CA GLU A 7 -7.518 -12.346 -4.815 1.00 0.00 C ATOM 80 C GLU A 7 -6.995 -13.613 -4.144 1.00 0.00 C ATOM 81 O GLU A 7 -7.610 -14.132 -3.213 1.00 0.00 O ATOM 82 CB GLU A 7 -8.227 -12.703 -6.123 1.00 0.00 C ATOM 83 CG GLU A 7 -9.025 -11.553 -6.716 1.00 0.00 C ATOM 84 CD GLU A 7 -9.733 -11.937 -8.000 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.610 -12.827 -7.952 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.413 -11.348 -9.053 1.00 0.00 O ATOM 0 H GLU A 7 -6.119 -11.371 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.230 -11.870 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.485 -13.033 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.896 -13.545 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.761 -11.212 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.357 -10.714 -6.911 1.00 0.00 H new ATOM 93 N ASN A 8 -5.856 -14.105 -4.623 1.00 0.00 N ATOM 94 CA ASN A 8 -5.249 -15.313 -4.072 1.00 0.00 C ATOM 95 C ASN A 8 -4.865 -15.111 -2.610 1.00 0.00 C ATOM 96 O ASN A 8 -4.919 -16.043 -1.808 1.00 0.00 O ATOM 97 CB ASN A 8 -4.015 -15.706 -4.887 1.00 0.00 C ATOM 98 CG ASN A 8 -3.690 -17.182 -4.768 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.329 -18.023 -5.402 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.693 -17.506 -3.954 1.00 0.00 N ATOM 0 H ASN A 8 -5.334 -13.685 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.983 -16.117 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.181 -15.457 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.159 -15.120 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.430 -18.484 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.190 -16.777 -3.448 1.00 0.00 H new ATOM 107 N PHE A 9 -4.475 -13.887 -2.271 1.00 0.00 N ATOM 108 CA PHE A 9 -4.084 -13.559 -0.906 1.00 0.00 C ATOM 109 C PHE A 9 -5.316 -13.396 -0.019 1.00 0.00 C ATOM 110 O PHE A 9 -5.355 -13.895 1.106 1.00 0.00 O ATOM 111 CB PHE A 9 -3.242 -12.277 -0.895 1.00 0.00 C ATOM 112 CG PHE A 9 -3.425 -11.427 0.333 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.822 -11.777 1.531 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.202 -10.280 0.288 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.989 -10.997 2.660 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.372 -9.496 1.413 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.766 -9.855 2.601 1.00 0.00 C ATOM 0 H PHE A 9 -4.421 -13.105 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.484 -14.377 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.190 -12.547 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.493 -11.684 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.215 -12.669 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.680 -9.996 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.513 -11.279 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.978 -8.603 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.899 -9.245 3.482 1.00 0.00 H new ATOM 127 N ARG A 10 -6.319 -12.695 -0.538 1.00 0.00 N ATOM 128 CA ARG A 10 -7.555 -12.459 0.200 1.00 0.00 C ATOM 129 C ARG A 10 -8.265 -13.769 0.533 1.00 0.00 C ATOM 130 O ARG A 10 -8.876 -13.899 1.593 1.00 0.00 O ATOM 131 CB ARG A 10 -8.488 -11.557 -0.609 1.00 0.00 C ATOM 132 CG ARG A 10 -8.287 -10.074 -0.341 1.00 0.00 C ATOM 133 CD ARG A 10 -9.347 -9.235 -1.037 1.00 0.00 C ATOM 134 NE ARG A 10 -9.168 -7.808 -0.782 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.170 -6.934 -0.749 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.416 -7.341 -0.952 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.926 -5.653 -0.510 1.00 0.00 N ATOM 0 H ARG A 10 -6.300 -12.279 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.294 -11.966 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.335 -11.749 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.521 -11.821 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.322 -9.889 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.298 -9.771 -0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.308 -9.419 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.335 -9.543 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.222 -7.463 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.607 -8.326 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.183 -6.669 -0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.969 -5.337 -0.351 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.695 -4.983 -0.485 1.00 0.00 H new ATOM 151 N VAL A 11 -8.179 -14.738 -0.374 1.00 0.00 N ATOM 152 CA VAL A 11 -8.826 -16.030 -0.168 1.00 0.00 C ATOM 153 C VAL A 11 -8.005 -16.930 0.751 1.00 0.00 C ATOM 154 O VAL A 11 -8.556 -17.626 1.603 1.00 0.00 O ATOM 155 CB VAL A 11 -9.075 -16.760 -1.503 1.00 0.00 C ATOM 156 CG1 VAL A 11 -10.033 -15.966 -2.376 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.765 -17.014 -2.233 1.00 0.00 C ATOM 0 H VAL A 11 -7.670 -14.654 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.785 -15.822 0.306 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.532 -17.725 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.196 -16.497 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.984 -15.846 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.607 -14.985 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.966 -17.530 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.273 -16.063 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.116 -17.631 -1.612 1.00 0.00 H new ATOM 167 N LEU A 12 -6.688 -16.910 0.577 1.00 0.00 N ATOM 168 CA LEU A 12 -5.797 -17.729 1.392 1.00 0.00 C ATOM 169 C LEU A 12 -5.869 -17.322 2.860 1.00 0.00 C ATOM 170 O LEU A 12 -5.631 -18.135 3.752 1.00 0.00 O ATOM 171 CB LEU A 12 -4.357 -17.611 0.889 1.00 0.00 C ATOM 172 CG LEU A 12 -3.456 -18.804 1.215 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.564 -19.138 0.030 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.617 -18.516 2.452 1.00 0.00 C ATOM 0 H LEU A 12 -6.214 -16.336 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.122 -18.766 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.376 -17.475 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.912 -16.712 1.316 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.089 -19.667 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.930 -19.989 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.183 -19.387 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.939 -18.278 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.982 -19.375 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.993 -17.640 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.274 -18.326 3.301 1.00 0.00 H new ATOM 186 N VAL A 13 -6.204 -16.059 3.101 1.00 0.00 N ATOM 187 CA VAL A 13 -6.302 -15.543 4.462 1.00 0.00 C ATOM 188 C VAL A 13 -7.739 -15.592 4.971 1.00 0.00 C ATOM 189 O VAL A 13 -8.008 -15.274 6.130 1.00 0.00 O ATOM 190 CB VAL A 13 -5.770 -14.099 4.567 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.323 -14.029 4.107 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.638 -13.142 3.766 1.00 0.00 C ATOM 0 H VAL A 13 -6.412 -15.375 2.374 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.681 -16.188 5.084 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.812 -13.795 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.965 -13.003 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.710 -14.678 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.255 -14.356 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.243 -12.130 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.637 -13.440 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.658 -13.168 4.149 1.00 0.00 H new ATOM 202 N LYS A 14 -8.660 -15.992 4.098 1.00 0.00 N ATOM 203 CA LYS A 14 -10.069 -16.079 4.460 1.00 0.00 C ATOM 204 C LYS A 14 -10.598 -17.503 4.304 1.00 0.00 C ATOM 205 O LYS A 14 -11.685 -17.714 3.763 1.00 0.00 O ATOM 206 CB LYS A 14 -10.893 -15.121 3.599 1.00 0.00 C ATOM 207 CG LYS A 14 -12.082 -14.523 4.329 1.00 0.00 C ATOM 208 CD LYS A 14 -13.397 -14.963 3.705 1.00 0.00 C ATOM 209 CE LYS A 14 -14.570 -14.181 4.270 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.876 -14.786 3.888 1.00 0.00 N ATOM 0 H LYS A 14 -8.454 -16.261 3.136 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.163 -15.796 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.249 -14.315 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.248 -15.652 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.056 -14.824 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.014 -13.435 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.353 -14.825 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.548 -16.028 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.491 -14.143 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.527 -13.153 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.651 -14.223 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.963 -14.799 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.928 -15.759 4.252 1.00 0.00 H new ATOM 224 N GLN A 15 -9.828 -18.476 4.779 1.00 0.00 N ATOM 225 CA GLN A 15 -10.230 -19.877 4.693 1.00 0.00 C ATOM 226 C GLN A 15 -10.426 -20.470 6.084 1.00 0.00 C ATOM 227 O GLN A 15 -11.440 -21.113 6.359 1.00 0.00 O ATOM 228 CB GLN A 15 -9.182 -20.686 3.926 1.00 0.00 C ATOM 229 CG GLN A 15 -9.284 -20.539 2.417 1.00 0.00 C ATOM 230 CD GLN A 15 -10.425 -21.346 1.829 1.00 0.00 C ATOM 231 OE1 GLN A 15 -11.547 -20.855 1.702 1.00 0.00 O ATOM 232 NE2 GLN A 15 -10.145 -22.594 1.469 1.00 0.00 N ATOM 0 H GLN A 15 -8.924 -18.322 5.226 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.178 -19.925 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.188 -20.374 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.285 -21.739 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.421 -19.487 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.346 -20.856 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.201 -22.961 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.874 -23.185 1.070 1.00 0.00 H new ATOM 241 N LYS A 16 -9.449 -20.236 6.958 1.00 0.00 N ATOM 242 CA LYS A 16 -9.493 -20.735 8.330 1.00 0.00 C ATOM 243 C LYS A 16 -8.205 -20.375 9.060 1.00 0.00 C ATOM 244 O LYS A 16 -8.217 -20.061 10.250 1.00 0.00 O ATOM 245 CB LYS A 16 -9.692 -22.255 8.350 1.00 0.00 C ATOM 246 CG LYS A 16 -8.574 -23.028 7.666 1.00 0.00 C ATOM 247 CD LYS A 16 -8.139 -24.226 8.494 1.00 0.00 C ATOM 248 CE LYS A 16 -7.946 -25.459 7.629 1.00 0.00 C ATOM 249 NZ LYS A 16 -8.475 -26.687 8.285 1.00 0.00 N ATOM 0 H LYS A 16 -8.610 -19.699 6.737 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.337 -20.267 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.772 -22.588 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.638 -22.495 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.910 -23.365 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.722 -22.369 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.208 -23.994 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.887 -24.431 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.448 -25.314 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.885 -25.590 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.324 -27.506 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.978 -26.841 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.493 -26.573 8.466 1.00 0.00 H new ATOM 263 N LYS A 17 -7.097 -20.417 8.325 1.00 0.00 N ATOM 264 CA LYS A 17 -5.791 -20.102 8.870 1.00 0.00 C ATOM 265 C LYS A 17 -4.857 -19.675 7.749 1.00 0.00 C ATOM 266 O LYS A 17 -5.011 -20.097 6.601 1.00 0.00 O ATOM 267 CB LYS A 17 -5.202 -21.308 9.603 1.00 0.00 C ATOM 268 CG LYS A 17 -5.773 -21.521 10.995 1.00 0.00 C ATOM 269 CD LYS A 17 -5.059 -22.650 11.723 1.00 0.00 C ATOM 270 CE LYS A 17 -5.486 -22.730 13.179 1.00 0.00 C ATOM 271 NZ LYS A 17 -4.773 -23.815 13.908 1.00 0.00 N ATOM 0 H LYS A 17 -7.085 -20.671 7.337 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.902 -19.286 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.378 -22.204 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.122 -21.183 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.683 -20.600 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.837 -21.749 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.273 -23.597 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.981 -22.497 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.291 -21.775 13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.561 -22.902 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.092 -23.836 14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.979 -24.729 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.749 -23.638 13.879 1.00 0.00 H new ATOM 285 N ALA A 18 -3.889 -18.845 8.093 1.00 0.00 N ATOM 286 CA ALA A 18 -2.918 -18.342 7.126 1.00 0.00 C ATOM 287 C ALA A 18 -1.934 -17.391 7.792 1.00 0.00 C ATOM 288 O ALA A 18 -0.789 -17.266 7.359 1.00 0.00 O ATOM 289 CB ALA A 18 -3.624 -17.643 5.974 1.00 0.00 C ATOM 0 H ALA A 18 -3.750 -18.500 9.043 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.363 -19.193 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.884 -17.275 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.289 -18.347 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.206 -16.805 6.358 1.00 0.00 H new ATOM 295 N SER A 19 -2.394 -16.728 8.851 1.00 0.00 N ATOM 296 CA SER A 19 -1.567 -15.776 9.589 1.00 0.00 C ATOM 297 C SER A 19 -1.177 -14.590 8.708 1.00 0.00 C ATOM 298 O SER A 19 -0.702 -14.764 7.587 1.00 0.00 O ATOM 299 CB SER A 19 -0.311 -16.461 10.130 1.00 0.00 C ATOM 300 OG SER A 19 0.214 -15.759 11.243 1.00 0.00 O ATOM 0 H SER A 19 -3.340 -16.834 9.218 1.00 0.00 H new ATOM 0 HA SER A 19 -2.155 -15.404 10.428 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.548 -17.485 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.442 -16.519 9.344 1.00 0.00 H new ATOM 0 HG SER A 19 1.015 -16.218 11.571 1.00 0.00 H new ATOM 306 N PHE A 20 -1.385 -13.383 9.225 1.00 0.00 N ATOM 307 CA PHE A 20 -1.052 -12.168 8.490 1.00 0.00 C ATOM 308 C PHE A 20 0.445 -11.875 8.585 1.00 0.00 C ATOM 309 O PHE A 20 0.852 -10.814 9.061 1.00 0.00 O ATOM 310 CB PHE A 20 -1.853 -10.983 9.034 1.00 0.00 C ATOM 311 CG PHE A 20 -2.169 -9.943 7.999 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.305 -10.052 7.211 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.331 -8.854 7.812 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.598 -9.094 6.257 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.619 -7.895 6.861 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.755 -8.015 6.082 1.00 0.00 C ATOM 0 H PHE A 20 -1.783 -13.220 10.150 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.311 -12.319 7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.785 -11.352 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.292 -10.518 9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.968 -10.894 7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.442 -8.755 8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.486 -9.190 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.958 -7.052 6.726 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.982 -7.266 5.338 1.00 0.00 H new ATOM 326 N GLU A 21 1.257 -12.823 8.128 1.00 0.00 N ATOM 327 CA GLU A 21 2.708 -12.675 8.166 1.00 0.00 C ATOM 328 C GLU A 21 3.333 -13.055 6.828 1.00 0.00 C ATOM 329 O GLU A 21 3.919 -12.214 6.145 1.00 0.00 O ATOM 330 CB GLU A 21 3.299 -13.538 9.281 1.00 0.00 C ATOM 331 CG GLU A 21 4.121 -12.752 10.290 1.00 0.00 C ATOM 332 CD GLU A 21 4.645 -13.620 11.418 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.466 -14.521 11.143 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.234 -13.398 12.576 1.00 0.00 O ATOM 0 H GLU A 21 0.934 -13.703 7.726 1.00 0.00 H new ATOM 0 HA GLU A 21 2.935 -11.628 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.489 -14.047 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.927 -14.310 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.961 -12.280 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.510 -11.951 10.706 1.00 0.00 H new ATOM 341 N GLU A 22 3.207 -14.326 6.461 1.00 0.00 N ATOM 342 CA GLU A 22 3.759 -14.819 5.205 1.00 0.00 C ATOM 343 C GLU A 22 3.007 -14.236 4.013 1.00 0.00 C ATOM 344 O GLU A 22 3.614 -13.841 3.017 1.00 0.00 O ATOM 345 CB GLU A 22 3.697 -16.346 5.166 1.00 0.00 C ATOM 346 CG GLU A 22 4.059 -17.006 6.487 1.00 0.00 C ATOM 347 CD GLU A 22 5.084 -18.110 6.325 1.00 0.00 C ATOM 348 OE1 GLU A 22 4.697 -19.223 5.910 1.00 0.00 O ATOM 349 OE2 GLU A 22 6.274 -17.862 6.611 1.00 0.00 O ATOM 0 H GLU A 22 2.727 -15.034 7.017 1.00 0.00 H new ATOM 0 HA GLU A 22 4.800 -14.501 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.691 -16.653 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.373 -16.709 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.448 -16.252 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.158 -17.416 6.943 1.00 0.00 H new ATOM 356 N ALA A 23 1.684 -14.183 4.124 1.00 0.00 N ATOM 357 CA ALA A 23 0.847 -13.650 3.056 1.00 0.00 C ATOM 358 C ALA A 23 1.069 -12.152 2.880 1.00 0.00 C ATOM 359 O ALA A 23 0.956 -11.621 1.775 1.00 0.00 O ATOM 360 CB ALA A 23 -0.618 -13.938 3.343 1.00 0.00 C ATOM 0 H ALA A 23 1.168 -14.503 4.944 1.00 0.00 H new ATOM 0 HA ALA A 23 1.128 -14.143 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.233 -13.535 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.770 -15.015 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.903 -13.471 4.286 1.00 0.00 H new ATOM 366 N SER A 24 1.388 -11.474 3.978 1.00 0.00 N ATOM 367 CA SER A 24 1.626 -10.035 3.946 1.00 0.00 C ATOM 368 C SER A 24 2.999 -9.729 3.357 1.00 0.00 C ATOM 369 O SER A 24 3.112 -9.010 2.364 1.00 0.00 O ATOM 370 CB SER A 24 1.520 -9.448 5.354 1.00 0.00 C ATOM 371 OG SER A 24 1.778 -10.433 6.339 1.00 0.00 O ATOM 0 H SER A 24 1.488 -11.898 4.901 1.00 0.00 H new ATOM 0 HA SER A 24 0.866 -9.578 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.228 -8.626 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.524 -9.032 5.504 1.00 0.00 H new ATOM 0 HG SER A 24 2.651 -10.844 6.169 1.00 0.00 H new ATOM 377 N ASN A 25 4.039 -10.276 3.982 1.00 0.00 N ATOM 378 CA ASN A 25 5.409 -10.067 3.523 1.00 0.00 C ATOM 379 C ASN A 25 5.542 -10.393 2.038 1.00 0.00 C ATOM 380 O ASN A 25 6.153 -9.639 1.279 1.00 0.00 O ATOM 381 CB ASN A 25 6.377 -10.929 4.334 1.00 0.00 C ATOM 382 CG ASN A 25 6.954 -10.187 5.524 1.00 0.00 C ATOM 383 OD1 ASN A 25 7.882 -9.391 5.384 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.405 -10.447 6.705 1.00 0.00 N ATOM 0 H ASN A 25 3.958 -10.868 4.809 1.00 0.00 H new ATOM 0 HA ASN A 25 5.658 -9.016 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.859 -11.822 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.190 -11.263 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.751 -9.979 7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.637 -11.115 6.775 1.00 0.00 H new ATOM 391 N GLN A 26 4.965 -11.520 1.630 1.00 0.00 N ATOM 392 CA GLN A 26 5.016 -11.944 0.236 1.00 0.00 C ATOM 393 C GLN A 26 4.335 -10.918 -0.661 1.00 0.00 C ATOM 394 O GLN A 26 4.843 -10.577 -1.729 1.00 0.00 O ATOM 395 CB GLN A 26 4.347 -13.311 0.068 1.00 0.00 C ATOM 396 CG GLN A 26 4.779 -14.048 -1.188 1.00 0.00 C ATOM 397 CD GLN A 26 4.408 -15.518 -1.158 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.413 -15.932 -1.754 1.00 0.00 O ATOM 399 NE2 GLN A 26 5.209 -16.316 -0.461 1.00 0.00 N ATOM 0 H GLN A 26 4.457 -12.155 2.246 1.00 0.00 H new ATOM 0 HA GLN A 26 6.063 -12.025 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.575 -13.927 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.265 -13.177 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.318 -13.578 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.858 -13.952 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.023 -15.930 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.010 -17.315 -0.404 1.00 0.00 H new ATOM 408 N LEU A 27 3.177 -10.433 -0.220 1.00 0.00 N ATOM 409 CA LEU A 27 2.429 -9.438 -0.977 1.00 0.00 C ATOM 410 C LEU A 27 3.278 -8.196 -1.219 1.00 0.00 C ATOM 411 O LEU A 27 3.334 -7.679 -2.337 1.00 0.00 O ATOM 412 CB LEU A 27 1.143 -9.060 -0.233 1.00 0.00 C ATOM 413 CG LEU A 27 -0.061 -8.720 -1.121 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.187 -7.434 -1.894 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.369 -9.865 -2.076 1.00 0.00 C ATOM 0 H LEU A 27 2.738 -10.714 0.657 1.00 0.00 H new ATOM 0 HA LEU A 27 2.165 -9.870 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.867 -9.887 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.353 -8.203 0.407 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.926 -8.571 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.679 -7.211 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.351 -6.615 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.067 -7.553 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.226 -9.601 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.496 -10.050 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.597 -10.764 -1.504 1.00 0.00 H new ATOM 427 N ILE A 28 3.941 -7.717 -0.168 1.00 0.00 N ATOM 428 CA ILE A 28 4.790 -6.535 -0.279 1.00 0.00 C ATOM 429 C ILE A 28 5.941 -6.783 -1.248 1.00 0.00 C ATOM 430 O ILE A 28 6.282 -5.918 -2.056 1.00 0.00 O ATOM 431 CB ILE A 28 5.356 -6.116 1.095 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.279 -5.406 1.915 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.575 -5.217 0.928 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.970 -6.093 3.225 1.00 0.00 C ATOM 0 H ILE A 28 3.906 -8.128 0.765 1.00 0.00 H new ATOM 0 HA ILE A 28 4.167 -5.726 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 28 5.667 -7.015 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.601 -4.384 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.366 -5.342 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.956 -4.935 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.349 -5.752 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.293 -4.320 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.198 -5.536 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.618 -7.106 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.872 -6.134 3.836 1.00 0.00 H new ATOM 446 N ASN A 29 6.537 -7.970 -1.160 1.00 0.00 N ATOM 447 CA ASN A 29 7.647 -8.331 -2.033 1.00 0.00 C ATOM 448 C ASN A 29 7.205 -8.303 -3.490 1.00 0.00 C ATOM 449 O ASN A 29 7.910 -7.781 -4.354 1.00 0.00 O ATOM 450 CB ASN A 29 8.179 -9.718 -1.673 1.00 0.00 C ATOM 451 CG ASN A 29 9.694 -9.770 -1.655 1.00 0.00 C ATOM 452 OD1 ASN A 29 10.336 -9.225 -0.756 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.276 -10.427 -2.652 1.00 0.00 N ATOM 0 H ASN A 29 6.270 -8.695 -0.494 1.00 0.00 H new ATOM 0 HA ASN A 29 8.446 -7.603 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.797 -10.008 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.802 -10.446 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.293 -10.495 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.706 -10.864 -3.376 1.00 0.00 H new ATOM 460 N HIS A 30 6.031 -8.873 -3.752 1.00 0.00 N ATOM 461 CA HIS A 30 5.485 -8.904 -5.102 1.00 0.00 C ATOM 462 C HIS A 30 5.348 -7.488 -5.643 1.00 0.00 C ATOM 463 O HIS A 30 5.743 -7.202 -6.774 1.00 0.00 O ATOM 464 CB HIS A 30 4.123 -9.603 -5.110 1.00 0.00 C ATOM 465 CG HIS A 30 4.008 -10.676 -6.147 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.578 -10.435 -7.436 1.00 0.00 N ATOM 467 CD2 HIS A 30 4.269 -12.003 -6.082 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.579 -11.568 -8.117 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.994 -12.534 -7.318 1.00 0.00 N ATOM 0 H HIS A 30 5.443 -9.318 -3.048 1.00 0.00 H new ATOM 0 HA HIS A 30 6.168 -9.463 -5.741 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.941 -10.038 -4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.343 -8.860 -5.279 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.303 -9.525 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.627 -12.544 -5.218 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.290 -11.684 -9.151 1.00 0.00 H new ATOM 478 N ILE A 31 4.786 -6.605 -4.823 1.00 0.00 N ATOM 479 CA ILE A 31 4.611 -5.212 -5.211 1.00 0.00 C ATOM 480 C ILE A 31 5.957 -4.584 -5.551 1.00 0.00 C ATOM 481 O ILE A 31 6.108 -3.937 -6.588 1.00 0.00 O ATOM 482 CB ILE A 31 3.937 -4.391 -4.093 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.546 -4.952 -3.786 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.845 -2.924 -4.492 1.00 0.00 C ATOM 485 CD1 ILE A 31 1.951 -4.424 -2.498 1.00 0.00 C ATOM 0 H ILE A 31 4.445 -6.830 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 31 3.964 -5.198 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 31 4.546 -4.465 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.876 -4.712 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.606 -6.039 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.367 -2.359 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.847 -2.531 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.256 -2.831 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.966 -4.864 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.600 -4.687 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.859 -3.340 -2.558 1.00 0.00 H new ATOM 497 N GLU A 32 6.932 -4.779 -4.666 1.00 0.00 N ATOM 498 CA GLU A 32 8.273 -4.245 -4.873 1.00 0.00 C ATOM 499 C GLU A 32 8.821 -4.677 -6.228 1.00 0.00 C ATOM 500 O GLU A 32 9.384 -3.869 -6.968 1.00 0.00 O ATOM 501 CB GLU A 32 9.210 -4.712 -3.757 1.00 0.00 C ATOM 502 CG GLU A 32 9.117 -3.874 -2.493 1.00 0.00 C ATOM 503 CD GLU A 32 9.995 -4.403 -1.377 1.00 0.00 C ATOM 504 OE1 GLU A 32 9.528 -5.277 -0.617 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.151 -3.943 -1.262 1.00 0.00 O ATOM 0 H GLU A 32 6.817 -5.303 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 32 8.213 -3.157 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.981 -5.749 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.237 -4.690 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.404 -2.847 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.081 -3.848 -2.154 1.00 0.00 H new ATOM 512 N GLN A 33 8.652 -5.958 -6.547 1.00 0.00 N ATOM 513 CA GLN A 33 9.119 -6.496 -7.819 1.00 0.00 C ATOM 514 C GLN A 33 8.455 -5.762 -8.976 1.00 0.00 C ATOM 515 O GLN A 33 9.108 -5.393 -9.950 1.00 0.00 O ATOM 516 CB GLN A 33 8.823 -7.994 -7.906 1.00 0.00 C ATOM 517 CG GLN A 33 9.839 -8.858 -7.176 1.00 0.00 C ATOM 518 CD GLN A 33 9.503 -10.335 -7.243 1.00 0.00 C ATOM 519 OE1 GLN A 33 9.814 -11.011 -8.224 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.862 -10.844 -6.197 1.00 0.00 N ATOM 0 H GLN A 33 8.196 -6.641 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 33 10.197 -6.350 -7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.833 -8.185 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.793 -8.290 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.827 -8.694 -7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.891 -8.548 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.624 -10.247 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.608 -11.832 -6.186 1.00 0.00 H new ATOM 529 N PHE A 34 7.144 -5.569 -8.864 1.00 0.00 N ATOM 530 CA PHE A 34 6.383 -4.866 -9.887 1.00 0.00 C ATOM 531 C PHE A 34 6.959 -3.473 -10.123 1.00 0.00 C ATOM 532 O PHE A 34 6.858 -2.926 -11.221 1.00 0.00 O ATOM 533 CB PHE A 34 4.912 -4.761 -9.479 1.00 0.00 C ATOM 534 CG PHE A 34 4.072 -5.914 -9.950 1.00 0.00 C ATOM 535 CD1 PHE A 34 4.423 -7.219 -9.641 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.929 -5.693 -10.702 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.651 -8.281 -10.073 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.154 -6.751 -11.138 1.00 0.00 C ATOM 539 CZ PHE A 34 2.516 -8.046 -10.823 1.00 0.00 C ATOM 0 H PHE A 34 6.587 -5.891 -8.072 1.00 0.00 H new ATOM 0 HA PHE A 34 6.453 -5.434 -10.815 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.849 -4.697 -8.393 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.499 -3.835 -9.878 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.311 -7.408 -9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.641 -4.682 -10.950 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.935 -9.293 -9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.266 -6.565 -11.724 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.912 -8.874 -11.163 1.00 0.00 H new ATOM 549 N LEU A 35 7.565 -2.905 -9.083 1.00 0.00 N ATOM 550 CA LEU A 35 8.165 -1.577 -9.175 1.00 0.00 C ATOM 551 C LEU A 35 9.556 -1.656 -9.796 1.00 0.00 C ATOM 552 O LEU A 35 10.094 -0.657 -10.274 1.00 0.00 O ATOM 553 CB LEU A 35 8.251 -0.940 -7.784 1.00 0.00 C ATOM 554 CG LEU A 35 7.127 0.041 -7.440 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.223 1.289 -8.303 1.00 0.00 C ATOM 556 CD2 LEU A 35 5.767 -0.622 -7.605 1.00 0.00 C ATOM 0 H LEU A 35 7.653 -3.344 -8.167 1.00 0.00 H new ATOM 0 HA LEU A 35 7.534 -0.959 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.257 -1.735 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.204 -0.418 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 35 7.239 0.337 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.416 1.974 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.182 1.777 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.140 1.012 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.982 0.092 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.645 -0.950 -8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.699 -1.483 -6.940 1.00 0.00 H new ATOM 568 N ASP A 36 10.130 -2.854 -9.782 1.00 0.00 N ATOM 569 CA ASP A 36 11.461 -3.077 -10.337 1.00 0.00 C ATOM 570 C ASP A 36 11.421 -3.099 -11.862 1.00 0.00 C ATOM 571 O ASP A 36 12.450 -3.272 -12.517 1.00 0.00 O ATOM 572 CB ASP A 36 12.041 -4.393 -9.812 1.00 0.00 C ATOM 573 CG ASP A 36 13.555 -4.425 -9.879 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.202 -3.956 -8.919 1.00 0.00 O ATOM 575 OD2 ASP A 36 14.093 -4.919 -10.891 1.00 0.00 O ATOM 0 H ASP A 36 9.693 -3.689 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 36 12.100 -2.253 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.723 -4.541 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.637 -5.222 -10.393 1.00 0.00 H new ATOM 580 N THR A 37 10.228 -2.923 -12.423 1.00 0.00 N ATOM 581 CA THR A 37 10.051 -2.921 -13.864 1.00 0.00 C ATOM 582 C THR A 37 9.167 -1.760 -14.298 1.00 0.00 C ATOM 583 O THR A 37 8.056 -1.589 -13.800 1.00 0.00 O ATOM 584 CB THR A 37 9.428 -4.239 -14.361 1.00 0.00 C ATOM 585 OG1 THR A 37 8.652 -4.838 -13.318 1.00 0.00 O ATOM 586 CG2 THR A 37 10.509 -5.209 -14.816 1.00 0.00 C ATOM 0 H THR A 37 9.368 -2.779 -11.894 1.00 0.00 H new ATOM 0 HA THR A 37 11.042 -2.813 -14.306 1.00 0.00 H new ATOM 0 HB THR A 37 8.782 -4.013 -15.210 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.773 -5.092 -13.669 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.046 -6.133 -15.163 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.080 -4.762 -15.629 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.176 -5.428 -13.982 1.00 0.00 H new ATOM 594 N ASN A 38 9.675 -0.969 -15.230 1.00 0.00 N ATOM 595 CA ASN A 38 8.943 0.182 -15.744 1.00 0.00 C ATOM 596 C ASN A 38 7.908 -0.256 -16.774 1.00 0.00 C ATOM 597 O ASN A 38 8.256 -0.793 -17.826 1.00 0.00 O ATOM 598 CB ASN A 38 9.908 1.191 -16.370 1.00 0.00 C ATOM 599 CG ASN A 38 9.521 2.625 -16.068 1.00 0.00 C ATOM 600 OD1 ASN A 38 9.716 3.112 -14.954 1.00 0.00 O ATOM 601 ND2 ASN A 38 8.970 3.311 -17.062 1.00 0.00 N ATOM 0 H ASN A 38 10.595 -1.103 -15.649 1.00 0.00 H new ATOM 0 HA ASN A 38 8.426 0.657 -14.910 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.916 1.004 -15.999 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.933 1.044 -17.450 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.690 4.281 -16.918 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.827 2.868 -17.969 1.00 0.00 H new ATOM 608 N GLU A 39 6.636 -0.019 -16.467 1.00 0.00 N ATOM 609 CA GLU A 39 5.546 -0.395 -17.361 1.00 0.00 C ATOM 610 C GLU A 39 4.254 0.303 -16.952 1.00 0.00 C ATOM 611 O GLU A 39 4.109 0.740 -15.811 1.00 0.00 O ATOM 612 CB GLU A 39 5.343 -1.912 -17.344 1.00 0.00 C ATOM 613 CG GLU A 39 5.971 -2.627 -18.529 1.00 0.00 C ATOM 614 CD GLU A 39 5.472 -2.101 -19.861 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.354 -2.481 -20.268 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.200 -1.309 -20.496 1.00 0.00 O ATOM 0 H GLU A 39 6.334 0.433 -15.604 1.00 0.00 H new ATOM 0 HA GLU A 39 5.810 -0.083 -18.371 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.764 -2.315 -16.423 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.274 -2.126 -17.327 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.054 -2.517 -18.482 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.756 -3.693 -18.460 1.00 0.00 H new ATOM 623 N THR A 40 3.317 0.407 -17.888 1.00 0.00 N ATOM 624 CA THR A 40 2.038 1.052 -17.618 1.00 0.00 C ATOM 625 C THR A 40 1.066 0.105 -16.906 1.00 0.00 C ATOM 626 O THR A 40 0.474 0.474 -15.892 1.00 0.00 O ATOM 627 CB THR A 40 1.382 1.579 -18.910 1.00 0.00 C ATOM 628 OG1 THR A 40 2.352 2.269 -19.708 1.00 0.00 O ATOM 629 CG2 THR A 40 0.227 2.517 -18.588 1.00 0.00 C ATOM 0 H THR A 40 3.419 0.053 -18.839 1.00 0.00 H new ATOM 0 HA THR A 40 2.252 1.896 -16.962 1.00 0.00 H new ATOM 0 HB THR A 40 0.994 0.726 -19.466 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.927 2.599 -20.527 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.220 2.876 -19.515 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.524 1.983 -18.006 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.597 3.365 -18.012 1.00 0.00 H new ATOM 637 N PRO A 41 0.884 -1.131 -17.420 1.00 0.00 N ATOM 638 CA PRO A 41 -0.025 -2.110 -16.815 1.00 0.00 C ATOM 639 C PRO A 41 0.542 -2.716 -15.536 1.00 0.00 C ATOM 640 O PRO A 41 -0.142 -3.467 -14.839 1.00 0.00 O ATOM 641 CB PRO A 41 -0.176 -3.196 -17.894 1.00 0.00 C ATOM 642 CG PRO A 41 0.514 -2.667 -19.110 1.00 0.00 C ATOM 643 CD PRO A 41 1.530 -1.680 -18.620 1.00 0.00 C ATOM 0 HA PRO A 41 -0.969 -1.649 -16.524 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.272 -4.135 -17.568 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.227 -3.399 -18.099 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.992 -3.473 -19.668 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.197 -2.191 -19.785 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.481 -2.158 -18.386 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.735 -0.907 -19.360 1.00 0.00 H new ATOM 651 N TYR A 42 1.793 -2.387 -15.232 1.00 0.00 N ATOM 652 CA TYR A 42 2.450 -2.908 -14.038 1.00 0.00 C ATOM 653 C TYR A 42 2.086 -2.085 -12.806 1.00 0.00 C ATOM 654 O TYR A 42 1.823 -2.637 -11.737 1.00 0.00 O ATOM 655 CB TYR A 42 3.968 -2.918 -14.228 1.00 0.00 C ATOM 656 CG TYR A 42 4.517 -4.261 -14.656 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.119 -4.846 -15.853 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.431 -4.944 -13.864 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.618 -6.073 -16.247 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.935 -6.171 -14.253 1.00 0.00 C ATOM 661 CZ TYR A 42 5.525 -6.730 -15.444 1.00 0.00 C ATOM 662 OH TYR A 42 6.024 -7.952 -15.834 1.00 0.00 O ATOM 0 H TYR A 42 2.372 -1.763 -15.794 1.00 0.00 H new ATOM 0 HA TYR A 42 2.102 -3.929 -13.883 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.237 -2.171 -14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.444 -2.621 -13.294 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.409 -4.333 -16.485 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.753 -4.509 -12.929 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.299 -6.515 -17.179 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.646 -6.689 -13.627 1.00 0.00 H new ATOM 0 HH TYR A 42 6.652 -8.280 -15.157 1.00 0.00 H new ATOM 672 N PHE A 43 2.071 -0.766 -12.960 1.00 0.00 N ATOM 673 CA PHE A 43 1.742 0.128 -11.855 1.00 0.00 C ATOM 674 C PHE A 43 0.262 0.029 -11.498 1.00 0.00 C ATOM 675 O PHE A 43 -0.116 0.159 -10.333 1.00 0.00 O ATOM 676 CB PHE A 43 2.107 1.570 -12.206 1.00 0.00 C ATOM 677 CG PHE A 43 3.546 1.900 -11.929 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.550 1.439 -12.765 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.894 2.667 -10.830 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.875 1.737 -12.510 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.216 2.969 -10.569 1.00 0.00 C ATOM 682 CZ PHE A 43 6.209 2.504 -11.411 1.00 0.00 C ATOM 0 H PHE A 43 2.282 -0.292 -13.838 1.00 0.00 H new ATOM 0 HA PHE A 43 2.325 -0.179 -10.987 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.898 1.744 -13.261 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.470 2.248 -11.638 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.294 0.840 -13.626 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.122 3.033 -10.169 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.648 1.371 -13.169 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.474 3.568 -9.708 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.244 2.740 -11.210 1.00 0.00 H new ATOM 692 N MET A 44 -0.573 -0.200 -12.508 1.00 0.00 N ATOM 693 CA MET A 44 -2.009 -0.327 -12.291 1.00 0.00 C ATOM 694 C MET A 44 -2.294 -1.485 -11.343 1.00 0.00 C ATOM 695 O MET A 44 -3.237 -1.441 -10.551 1.00 0.00 O ATOM 696 CB MET A 44 -2.733 -0.545 -13.621 1.00 0.00 C ATOM 697 CG MET A 44 -2.841 0.714 -14.467 1.00 0.00 C ATOM 698 SD MET A 44 -3.941 0.507 -15.882 1.00 0.00 S ATOM 699 CE MET A 44 -3.945 2.168 -16.551 1.00 0.00 C ATOM 0 H MET A 44 -0.281 -0.301 -13.480 1.00 0.00 H new ATOM 0 HA MET A 44 -2.377 0.596 -11.843 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.207 -1.312 -14.190 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.735 -0.926 -13.422 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.203 1.534 -13.847 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.849 0.996 -14.821 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.583 2.203 -17.434 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.325 2.861 -15.801 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.929 2.452 -16.826 1.00 0.00 H new ATOM 709 N LYS A 45 -1.465 -2.522 -11.433 1.00 0.00 N ATOM 710 CA LYS A 45 -1.607 -3.695 -10.581 1.00 0.00 C ATOM 711 C LYS A 45 -1.047 -3.417 -9.191 1.00 0.00 C ATOM 712 O LYS A 45 -1.466 -4.030 -8.206 1.00 0.00 O ATOM 713 CB LYS A 45 -0.892 -4.895 -11.204 1.00 0.00 C ATOM 714 CG LYS A 45 -1.647 -6.204 -11.039 1.00 0.00 C ATOM 715 CD LYS A 45 -2.574 -6.466 -12.216 1.00 0.00 C ATOM 716 CE LYS A 45 -3.232 -7.831 -12.114 1.00 0.00 C ATOM 717 NZ LYS A 45 -4.094 -8.123 -13.292 1.00 0.00 N ATOM 0 H LYS A 45 -0.686 -2.572 -12.090 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.668 -3.926 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.738 -4.705 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.095 -4.995 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.937 -7.025 -10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.227 -6.177 -10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.342 -5.693 -12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.010 -6.402 -13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.463 -8.599 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.832 -7.877 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.524 -9.064 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.844 -7.405 -13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.517 -8.104 -14.157 1.00 0.00 H new ATOM 731 N SER A 46 -0.101 -2.482 -9.115 1.00 0.00 N ATOM 732 CA SER A 46 0.508 -2.120 -7.843 1.00 0.00 C ATOM 733 C SER A 46 -0.529 -1.465 -6.945 1.00 0.00 C ATOM 734 O SER A 46 -0.693 -1.847 -5.787 1.00 0.00 O ATOM 735 CB SER A 46 1.691 -1.175 -8.062 1.00 0.00 C ATOM 736 OG SER A 46 2.439 -1.551 -9.205 1.00 0.00 O ATOM 0 H SER A 46 0.257 -1.965 -9.918 1.00 0.00 H new ATOM 0 HA SER A 46 0.878 -3.025 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.328 -0.154 -8.181 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.335 -1.184 -7.183 1.00 0.00 H new ATOM 0 HG SER A 46 3.257 -1.013 -9.252 1.00 0.00 H new ATOM 742 N ILE A 47 -1.220 -0.466 -7.487 1.00 0.00 N ATOM 743 CA ILE A 47 -2.264 0.226 -6.747 1.00 0.00 C ATOM 744 C ILE A 47 -3.348 -0.760 -6.335 1.00 0.00 C ATOM 745 O ILE A 47 -3.863 -0.706 -5.216 1.00 0.00 O ATOM 746 CB ILE A 47 -2.900 1.355 -7.580 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.816 2.242 -8.194 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.845 2.181 -6.720 1.00 0.00 C ATOM 749 CD1 ILE A 47 -2.206 2.835 -9.530 1.00 0.00 C ATOM 0 H ILE A 47 -1.074 -0.120 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.802 0.669 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.475 0.907 -8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.583 3.050 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.905 1.656 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.286 2.974 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.635 1.540 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.291 2.621 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.390 3.452 -9.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.410 2.032 -10.239 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.099 3.448 -9.409 1.00 0.00 H new ATOM 761 N ASP A 48 -3.687 -1.665 -7.251 1.00 0.00 N ATOM 762 CA ASP A 48 -4.699 -2.679 -6.979 1.00 0.00 C ATOM 763 C ASP A 48 -4.254 -3.559 -5.818 1.00 0.00 C ATOM 764 O ASP A 48 -5.075 -4.161 -5.125 1.00 0.00 O ATOM 765 CB ASP A 48 -4.948 -3.534 -8.222 1.00 0.00 C ATOM 766 CG ASP A 48 -6.396 -3.968 -8.343 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.190 -3.223 -8.953 1.00 0.00 O ATOM 768 OD2 ASP A 48 -6.735 -5.054 -7.826 1.00 0.00 O ATOM 0 H ASP A 48 -3.277 -1.716 -8.184 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.630 -2.180 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.665 -2.970 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.309 -4.416 -8.187 1.00 0.00 H new ATOM 773 N CYS A 49 -2.941 -3.617 -5.615 1.00 0.00 N ATOM 774 CA CYS A 49 -2.366 -4.407 -4.537 1.00 0.00 C ATOM 775 C CYS A 49 -2.368 -3.606 -3.241 1.00 0.00 C ATOM 776 O CYS A 49 -2.774 -4.110 -2.191 1.00 0.00 O ATOM 777 CB CYS A 49 -0.940 -4.838 -4.886 1.00 0.00 C ATOM 778 SG CYS A 49 -0.839 -6.425 -5.747 1.00 0.00 S ATOM 0 H CYS A 49 -2.255 -3.124 -6.186 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.974 -5.301 -4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.481 -4.069 -5.508 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.355 -4.897 -3.968 1.00 0.00 H new ATOM 0 HG CYS A 49 0.405 -6.702 -6.001 1.00 0.00 H new ATOM 784 N ILE A 50 -1.917 -2.354 -3.319 1.00 0.00 N ATOM 785 CA ILE A 50 -1.881 -1.483 -2.150 1.00 0.00 C ATOM 786 C ILE A 50 -3.289 -1.249 -1.619 1.00 0.00 C ATOM 787 O ILE A 50 -3.477 -0.936 -0.446 1.00 0.00 O ATOM 788 CB ILE A 50 -1.215 -0.122 -2.475 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.406 0.380 -1.277 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.256 0.911 -2.888 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.657 1.391 -1.650 1.00 0.00 C ATOM 0 H ILE A 50 -1.573 -1.924 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.283 -1.983 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.535 -0.271 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.085 0.829 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.068 -0.470 -0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.762 1.857 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.785 0.561 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.967 1.056 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.192 1.704 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.358 0.940 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.187 2.258 -2.114 1.00 0.00 H new ATOM 803 N ARG A 51 -4.274 -1.406 -2.497 1.00 0.00 N ATOM 804 CA ARG A 51 -5.668 -1.223 -2.123 1.00 0.00 C ATOM 805 C ARG A 51 -6.163 -2.427 -1.335 1.00 0.00 C ATOM 806 O ARG A 51 -6.674 -2.291 -0.225 1.00 0.00 O ATOM 807 CB ARG A 51 -6.535 -1.019 -3.368 1.00 0.00 C ATOM 808 CG ARG A 51 -6.462 0.390 -3.935 1.00 0.00 C ATOM 809 CD ARG A 51 -7.846 1.001 -4.088 1.00 0.00 C ATOM 810 NE ARG A 51 -8.119 1.396 -5.468 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.854 0.675 -6.309 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.387 -0.474 -5.914 1.00 0.00 N ATOM 813 NH2 ARG A 51 -9.057 1.102 -7.548 1.00 0.00 N ATOM 0 H ARG A 51 -4.130 -1.660 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.743 -0.334 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.226 -1.728 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.571 -1.249 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.857 1.016 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.964 0.368 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.598 0.283 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.932 1.871 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.724 2.274 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.233 -0.807 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.950 -1.024 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.649 1.984 -7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.621 0.548 -8.192 1.00 0.00 H new ATOM 827 N ALA A 52 -6.009 -3.609 -1.924 1.00 0.00 N ATOM 828 CA ALA A 52 -6.429 -4.845 -1.276 1.00 0.00 C ATOM 829 C ALA A 52 -5.719 -5.027 0.062 1.00 0.00 C ATOM 830 O ALA A 52 -6.280 -5.584 1.005 1.00 0.00 O ATOM 831 CB ALA A 52 -6.163 -6.035 -2.185 1.00 0.00 C ATOM 0 H ALA A 52 -5.597 -3.736 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.500 -4.783 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.482 -6.951 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.719 -5.914 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.097 -6.094 -2.405 1.00 0.00 H new ATOM 837 N PHE A 53 -4.479 -4.553 0.132 1.00 0.00 N ATOM 838 CA PHE A 53 -3.683 -4.661 1.350 1.00 0.00 C ATOM 839 C PHE A 53 -4.097 -3.612 2.380 1.00 0.00 C ATOM 840 O PHE A 53 -4.451 -3.948 3.511 1.00 0.00 O ATOM 841 CB PHE A 53 -2.196 -4.511 1.022 1.00 0.00 C ATOM 842 CG PHE A 53 -1.284 -5.245 1.967 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.470 -5.169 3.341 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.234 -6.007 1.481 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.629 -5.839 4.207 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.611 -6.679 2.344 1.00 0.00 C ATOM 847 CZ PHE A 53 0.413 -6.595 3.708 1.00 0.00 C ATOM 0 H PHE A 53 -4.003 -4.090 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.861 -5.647 1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.020 -4.872 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.937 -3.452 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.283 -4.578 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.074 -6.077 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.786 -5.772 5.273 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.426 -7.270 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.072 -7.120 4.383 1.00 0.00 H new ATOM 857 N ARG A 54 -4.046 -2.341 1.987 1.00 0.00 N ATOM 858 CA ARG A 54 -4.411 -1.245 2.882 1.00 0.00 C ATOM 859 C ARG A 54 -5.785 -1.475 3.502 1.00 0.00 C ATOM 860 O ARG A 54 -6.022 -1.120 4.654 1.00 0.00 O ATOM 861 CB ARG A 54 -4.408 0.088 2.129 1.00 0.00 C ATOM 862 CG ARG A 54 -3.036 0.732 2.033 1.00 0.00 C ATOM 863 CD ARG A 54 -3.118 2.137 1.458 1.00 0.00 C ATOM 864 NE ARG A 54 -3.162 3.154 2.505 1.00 0.00 N ATOM 865 CZ ARG A 54 -4.285 3.715 2.943 1.00 0.00 C ATOM 866 NH1 ARG A 54 -5.453 3.363 2.421 1.00 0.00 N ATOM 867 NH2 ARG A 54 -4.240 4.627 3.904 1.00 0.00 N ATOM 0 H ARG A 54 -3.756 -2.045 1.055 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.669 -1.211 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.795 -0.072 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.089 0.778 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.580 0.769 3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.388 0.119 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.257 2.316 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.007 2.222 0.833 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.281 3.451 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.491 2.661 1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.313 3.795 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.344 4.899 4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.102 5.057 4.240 1.00 0.00 H new ATOM 881 N GLU A 55 -6.685 -2.071 2.731 1.00 0.00 N ATOM 882 CA GLU A 55 -8.039 -2.336 3.203 1.00 0.00 C ATOM 883 C GLU A 55 -8.058 -3.442 4.255 1.00 0.00 C ATOM 884 O GLU A 55 -8.527 -3.238 5.374 1.00 0.00 O ATOM 885 CB GLU A 55 -8.941 -2.720 2.029 1.00 0.00 C ATOM 886 CG GLU A 55 -9.530 -1.524 1.299 1.00 0.00 C ATOM 887 CD GLU A 55 -10.601 -1.918 0.301 1.00 0.00 C ATOM 888 OE1 GLU A 55 -11.784 -1.980 0.695 1.00 0.00 O ATOM 889 OE2 GLU A 55 -10.255 -2.166 -0.873 1.00 0.00 O ATOM 0 H GLU A 55 -6.503 -2.380 1.776 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.414 -1.423 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.368 -3.320 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.753 -3.348 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.954 -0.832 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.733 -0.992 0.780 1.00 0.00 H new ATOM 896 N GLU A 56 -7.537 -4.610 3.892 1.00 0.00 N ATOM 897 CA GLU A 56 -7.512 -5.753 4.799 1.00 0.00 C ATOM 898 C GLU A 56 -6.672 -5.476 6.043 1.00 0.00 C ATOM 899 O GLU A 56 -6.880 -6.091 7.090 1.00 0.00 O ATOM 900 CB GLU A 56 -6.973 -6.989 4.076 1.00 0.00 C ATOM 901 CG GLU A 56 -7.985 -7.640 3.147 1.00 0.00 C ATOM 902 CD GLU A 56 -8.072 -9.140 3.340 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.215 -9.860 2.786 1.00 0.00 O ATOM 904 OE2 GLU A 56 -8.997 -9.597 4.045 1.00 0.00 O ATOM 0 H GLU A 56 -7.126 -4.790 2.976 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.537 -5.935 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.092 -6.707 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.649 -7.720 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.967 -7.198 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.714 -7.425 2.113 1.00 0.00 H new ATOM 911 N ALA A 57 -5.727 -4.545 5.934 1.00 0.00 N ATOM 912 CA ALA A 57 -4.856 -4.210 7.054 1.00 0.00 C ATOM 913 C ALA A 57 -5.477 -3.140 7.947 1.00 0.00 C ATOM 914 O ALA A 57 -5.701 -3.363 9.138 1.00 0.00 O ATOM 915 CB ALA A 57 -3.499 -3.748 6.545 1.00 0.00 C ATOM 0 H ALA A 57 -5.546 -4.012 5.084 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.726 -5.110 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.858 -3.501 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.039 -4.545 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.627 -2.866 5.917 1.00 0.00 H new ATOM 921 N ILE A 58 -5.753 -1.979 7.360 1.00 0.00 N ATOM 922 CA ILE A 58 -6.337 -0.865 8.098 1.00 0.00 C ATOM 923 C ILE A 58 -7.638 -1.274 8.781 1.00 0.00 C ATOM 924 O ILE A 58 -7.871 -0.934 9.941 1.00 0.00 O ATOM 925 CB ILE A 58 -6.601 0.343 7.173 1.00 0.00 C ATOM 926 CG1 ILE A 58 -5.277 0.927 6.678 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.414 1.409 7.895 1.00 0.00 C ATOM 928 CD1 ILE A 58 -5.425 1.810 5.456 1.00 0.00 C ATOM 0 H ILE A 58 -5.581 -1.786 6.373 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.614 -0.575 8.860 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.177 -0.000 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.821 1.506 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.593 0.111 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.588 2.250 7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.371 0.989 8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.866 1.752 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.447 2.189 5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.852 1.230 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.083 2.647 5.689 1.00 0.00 H new ATOM 940 N LYS A 59 -8.482 -2.004 8.058 1.00 0.00 N ATOM 941 CA LYS A 59 -9.756 -2.456 8.603 1.00 0.00 C ATOM 942 C LYS A 59 -9.560 -3.150 9.949 1.00 0.00 C ATOM 943 O LYS A 59 -10.277 -2.866 10.908 1.00 0.00 O ATOM 944 CB LYS A 59 -10.457 -3.395 7.620 1.00 0.00 C ATOM 945 CG LYS A 59 -11.235 -2.668 6.535 1.00 0.00 C ATOM 946 CD LYS A 59 -12.734 -2.746 6.779 1.00 0.00 C ATOM 947 CE LYS A 59 -13.510 -1.955 5.737 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.939 -0.626 6.255 1.00 0.00 N ATOM 0 H LYS A 59 -8.307 -2.294 7.096 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.385 -1.580 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.713 -4.039 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.138 -4.043 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.924 -1.624 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.000 -3.103 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.053 -3.788 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.962 -2.362 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.891 -1.817 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.387 -2.524 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.465 -0.118 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.551 -0.758 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.102 -0.072 6.527 1.00 0.00 H new ATOM 962 N PHE A 60 -8.581 -4.053 10.015 1.00 0.00 N ATOM 963 CA PHE A 60 -8.295 -4.776 11.254 1.00 0.00 C ATOM 964 C PHE A 60 -7.093 -5.704 11.090 1.00 0.00 C ATOM 965 O PHE A 60 -7.234 -6.859 10.690 1.00 0.00 O ATOM 966 CB PHE A 60 -9.524 -5.568 11.736 1.00 0.00 C ATOM 967 CG PHE A 60 -10.099 -6.523 10.722 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.898 -6.064 9.689 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.846 -7.884 10.812 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.431 -6.941 8.761 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.378 -8.766 9.889 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.170 -8.293 8.862 1.00 0.00 C ATOM 0 H PHE A 60 -7.977 -4.300 9.231 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.050 -4.033 12.013 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.249 -6.130 12.628 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.301 -4.862 12.031 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.108 -5.008 9.606 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.226 -8.259 11.613 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.050 -6.568 7.959 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.174 -9.823 9.972 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.585 -8.979 8.139 1.00 0.00 H new ATOM 982 N SER A 61 -5.907 -5.189 11.401 1.00 0.00 N ATOM 983 CA SER A 61 -4.684 -5.977 11.296 1.00 0.00 C ATOM 984 C SER A 61 -3.472 -5.189 11.779 1.00 0.00 C ATOM 985 O SER A 61 -3.214 -5.105 12.980 1.00 0.00 O ATOM 986 CB SER A 61 -4.468 -6.446 9.855 1.00 0.00 C ATOM 987 OG SER A 61 -3.529 -7.506 9.798 1.00 0.00 O ATOM 0 H SER A 61 -5.767 -4.233 11.727 1.00 0.00 H new ATOM 0 HA SER A 61 -4.798 -6.850 11.939 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.417 -6.773 9.430 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.117 -5.612 9.247 1.00 0.00 H new ATOM 0 HG SER A 61 -3.075 -7.494 8.930 1.00 0.00 H new ATOM 993 N GLU A 62 -2.731 -4.614 10.839 1.00 0.00 N ATOM 994 CA GLU A 62 -1.539 -3.846 11.175 1.00 0.00 C ATOM 995 C GLU A 62 -1.536 -2.508 10.447 1.00 0.00 C ATOM 996 O GLU A 62 -0.685 -2.251 9.596 1.00 0.00 O ATOM 997 CB GLU A 62 -0.281 -4.641 10.824 1.00 0.00 C ATOM 998 CG GLU A 62 -0.263 -6.045 11.408 1.00 0.00 C ATOM 999 CD GLU A 62 1.135 -6.507 11.771 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.885 -5.714 12.377 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.479 -7.665 11.450 1.00 0.00 O ATOM 0 H GLU A 62 -2.934 -4.665 9.841 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.547 -3.653 12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.194 -4.707 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.593 -4.097 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.893 -6.073 12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.696 -6.740 10.688 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.505 -1.666 10.786 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.627 -0.344 10.175 1.00 0.00 C ATOM 1010 C GLU A 63 -1.312 0.436 10.253 1.00 0.00 C ATOM 1011 O GLU A 63 -0.998 1.226 9.361 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.742 0.450 10.856 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.575 0.566 12.362 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.161 -0.618 13.107 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.403 -0.702 13.205 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -3.377 -1.461 13.593 1.00 0.00 O ATOM 0 H GLU A 63 -3.220 -1.874 11.482 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.872 -0.487 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.779 1.450 10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.699 -0.026 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.515 0.652 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.055 1.482 12.708 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.549 0.211 11.320 1.00 0.00 N ATOM 1024 CA GLN A 64 0.727 0.901 11.507 1.00 0.00 C ATOM 1025 C GLN A 64 1.827 0.268 10.658 1.00 0.00 C ATOM 1026 O GLN A 64 2.825 0.913 10.334 1.00 0.00 O ATOM 1027 CB GLN A 64 1.131 0.879 12.982 1.00 0.00 C ATOM 1028 CG GLN A 64 1.565 2.236 13.514 1.00 0.00 C ATOM 1029 CD GLN A 64 1.619 2.279 15.028 1.00 0.00 C ATOM 1030 OE1 GLN A 64 0.691 2.756 15.680 1.00 0.00 O ATOM 1031 NE2 GLN A 64 2.710 1.779 15.595 1.00 0.00 N ATOM 0 H GLN A 64 -0.790 -0.441 12.066 1.00 0.00 H new ATOM 0 HA GLN A 64 0.598 1.934 11.185 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.291 0.517 13.575 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.946 0.168 13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.548 2.482 13.112 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.874 3.000 13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.455 1.393 15.015 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.803 1.780 16.611 1.00 0.00 H new ATOM 1040 N ARG A 65 1.650 -0.998 10.304 1.00 0.00 N ATOM 1041 CA ARG A 65 2.632 -1.690 9.478 1.00 0.00 C ATOM 1042 C ARG A 65 2.684 -1.040 8.103 1.00 0.00 C ATOM 1043 O ARG A 65 3.694 -1.112 7.399 1.00 0.00 O ATOM 1044 CB ARG A 65 2.285 -3.174 9.350 1.00 0.00 C ATOM 1045 CG ARG A 65 3.197 -3.934 8.400 1.00 0.00 C ATOM 1046 CD ARG A 65 2.830 -5.408 8.334 1.00 0.00 C ATOM 1047 NE ARG A 65 4.010 -6.260 8.214 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.621 -6.826 9.250 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.162 -6.636 10.480 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.692 -7.584 9.058 1.00 0.00 N ATOM 0 H ARG A 65 0.844 -1.563 10.572 1.00 0.00 H new ATOM 0 HA ARG A 65 3.610 -1.613 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.335 -3.636 10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.255 -3.269 9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.132 -3.497 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.232 -3.830 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.273 -5.684 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.171 -5.580 7.483 1.00 0.00 H new ATOM 0 HE ARG A 65 4.387 -6.431 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.338 -6.054 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.633 -7.072 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.048 -7.734 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.159 -8.017 9.854 1.00 0.00 H new ATOM 1064 N PHE A 66 1.580 -0.395 7.738 1.00 0.00 N ATOM 1065 CA PHE A 66 1.476 0.283 6.455 1.00 0.00 C ATOM 1066 C PHE A 66 1.946 1.725 6.581 1.00 0.00 C ATOM 1067 O PHE A 66 2.659 2.232 5.716 1.00 0.00 O ATOM 1068 CB PHE A 66 0.042 0.237 5.929 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.042 -0.222 4.502 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.587 0.492 3.494 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.742 -1.369 4.170 1.00 0.00 C ATOM 1072 CE1 PHE A 66 0.519 0.068 2.181 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.814 -1.797 2.860 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.182 -1.078 1.863 1.00 0.00 C ATOM 0 H PHE A 66 0.743 -0.329 8.317 1.00 0.00 H new ATOM 0 HA PHE A 66 2.117 -0.236 5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.548 -0.431 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.403 1.229 6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.136 1.389 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.237 -1.935 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.014 0.632 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.364 -2.693 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.236 -1.412 0.837 1.00 0.00 H new ATOM 1084 N ASN A 67 1.546 2.380 7.673 1.00 0.00 N ATOM 1085 CA ASN A 67 1.929 3.766 7.916 1.00 0.00 C ATOM 1086 C ASN A 67 3.428 3.830 8.185 1.00 0.00 C ATOM 1087 O ASN A 67 4.058 4.886 8.085 1.00 0.00 O ATOM 1088 CB ASN A 67 1.120 4.355 9.084 1.00 0.00 C ATOM 1089 CG ASN A 67 1.788 4.210 10.440 1.00 0.00 C ATOM 1090 OD1 ASN A 67 2.551 3.280 10.684 1.00 0.00 O ATOM 1091 ND2 ASN A 67 1.492 5.146 11.337 1.00 0.00 N ATOM 0 H ASN A 67 0.958 1.971 8.400 1.00 0.00 H new ATOM 0 HA ASN A 67 1.706 4.368 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.942 5.413 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.145 3.868 9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.904 5.108 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.853 5.902 11.093 1.00 0.00 H new ATOM 1098 N ASN A 68 3.981 2.671 8.523 1.00 0.00 N ATOM 1099 CA ASN A 68 5.406 2.548 8.785 1.00 0.00 C ATOM 1100 C ASN A 68 6.155 2.541 7.460 1.00 0.00 C ATOM 1101 O ASN A 68 7.028 3.377 7.217 1.00 0.00 O ATOM 1102 CB ASN A 68 5.705 1.268 9.569 1.00 0.00 C ATOM 1103 CG ASN A 68 7.168 1.147 9.945 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.587 1.600 11.010 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.956 0.533 9.070 1.00 0.00 N ATOM 0 H ASN A 68 3.459 1.800 8.622 1.00 0.00 H new ATOM 0 HA ASN A 68 5.734 3.395 9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.098 1.250 10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.414 0.404 8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.950 0.422 9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.567 0.172 8.199 1.00 0.00 H new ATOM 1112 N PHE A 69 5.803 1.582 6.605 1.00 0.00 N ATOM 1113 CA PHE A 69 6.412 1.479 5.284 1.00 0.00 C ATOM 1114 C PHE A 69 6.088 2.717 4.454 1.00 0.00 C ATOM 1115 O PHE A 69 6.844 3.091 3.556 1.00 0.00 O ATOM 1116 CB PHE A 69 5.917 0.222 4.564 1.00 0.00 C ATOM 1117 CG PHE A 69 6.906 -0.329 3.576 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.867 -1.245 3.975 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.874 0.070 2.250 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.778 -1.753 3.068 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.784 -0.433 1.338 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.736 -1.346 1.748 1.00 0.00 C ATOM 0 H PHE A 69 5.102 0.869 6.804 1.00 0.00 H new ATOM 0 HA PHE A 69 7.493 1.410 5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.688 -0.545 5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.986 0.452 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.904 -1.565 5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.130 0.782 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.521 -2.467 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.750 -0.113 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.447 -1.741 1.038 1.00 0.00 H new ATOM 1132 N LEU A 70 4.957 3.345 4.766 1.00 0.00 N ATOM 1133 CA LEU A 70 4.530 4.552 4.063 1.00 0.00 C ATOM 1134 C LEU A 70 5.461 5.706 4.407 1.00 0.00 C ATOM 1135 O LEU A 70 5.939 6.419 3.522 1.00 0.00 O ATOM 1136 CB LEU A 70 3.087 4.919 4.425 1.00 0.00 C ATOM 1137 CG LEU A 70 2.069 4.764 3.289 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.683 5.184 3.752 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.492 5.578 2.074 1.00 0.00 C ATOM 0 H LEU A 70 4.320 3.038 5.501 1.00 0.00 H new ATOM 0 HA LEU A 70 4.573 4.357 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.770 4.297 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.068 5.953 4.770 1.00 0.00 H new ATOM 0 HG LEU A 70 2.034 3.713 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.026 5.067 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.374 4.559 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.705 6.227 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.756 5.454 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.558 6.631 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.465 5.232 1.725 1.00 0.00 H new ATOM 1151 N LYS A 71 5.705 5.889 5.702 1.00 0.00 N ATOM 1152 CA LYS A 71 6.594 6.944 6.167 1.00 0.00 C ATOM 1153 C LYS A 71 7.932 6.854 5.447 1.00 0.00 C ATOM 1154 O LYS A 71 8.499 7.868 5.033 1.00 0.00 O ATOM 1155 CB LYS A 71 6.806 6.838 7.679 1.00 0.00 C ATOM 1156 CG LYS A 71 5.868 7.716 8.488 1.00 0.00 C ATOM 1157 CD LYS A 71 6.222 7.695 9.967 1.00 0.00 C ATOM 1158 CE LYS A 71 5.140 8.348 10.810 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.372 8.145 12.267 1.00 0.00 N ATOM 0 H LYS A 71 5.299 5.320 6.445 1.00 0.00 H new ATOM 0 HA LYS A 71 6.134 7.907 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.672 5.800 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.836 7.109 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.915 8.740 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.842 7.374 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.366 6.665 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.168 8.214 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.106 9.416 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.169 7.936 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.612 8.606 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.379 7.127 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.287 8.561 12.534 1.00 0.00 H new ATOM 1173 N ALA A 72 8.432 5.631 5.300 1.00 0.00 N ATOM 1174 CA ALA A 72 9.701 5.404 4.617 1.00 0.00 C ATOM 1175 C ALA A 72 9.541 5.587 3.112 1.00 0.00 C ATOM 1176 O ALA A 72 10.392 6.188 2.453 1.00 0.00 O ATOM 1177 CB ALA A 72 10.230 4.013 4.931 1.00 0.00 C ATOM 0 H ALA A 72 7.979 4.784 5.644 1.00 0.00 H new ATOM 0 HA ALA A 72 10.422 6.138 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.177 3.859 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.383 3.916 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.509 3.266 4.598 1.00 0.00 H new ATOM 1183 N LEU A 73 8.442 5.059 2.579 1.00 0.00 N ATOM 1184 CA LEU A 73 8.151 5.164 1.155 1.00 0.00 C ATOM 1185 C LEU A 73 8.246 6.614 0.701 1.00 0.00 C ATOM 1186 O LEU A 73 8.768 6.904 -0.370 1.00 0.00 O ATOM 1187 CB LEU A 73 6.755 4.611 0.854 1.00 0.00 C ATOM 1188 CG LEU A 73 6.329 4.686 -0.613 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.084 3.657 -1.443 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.827 4.477 -0.742 1.00 0.00 C ATOM 0 H LEU A 73 7.737 4.553 3.115 1.00 0.00 H new ATOM 0 HA LEU A 73 8.887 4.575 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.717 3.570 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.028 5.156 1.456 1.00 0.00 H new ATOM 0 HG LEU A 73 6.573 5.678 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.767 3.726 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.155 3.850 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.871 2.657 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.541 4.533 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.561 3.497 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.303 5.250 -0.181 1.00 0.00 H new ATOM 1202 N GLN A 74 7.726 7.516 1.526 1.00 0.00 N ATOM 1203 CA GLN A 74 7.769 8.942 1.227 1.00 0.00 C ATOM 1204 C GLN A 74 9.214 9.418 1.143 1.00 0.00 C ATOM 1205 O GLN A 74 9.614 10.092 0.188 1.00 0.00 O ATOM 1206 CB GLN A 74 7.019 9.735 2.298 1.00 0.00 C ATOM 1207 CG GLN A 74 6.497 11.074 1.808 1.00 0.00 C ATOM 1208 CD GLN A 74 7.303 12.244 2.339 1.00 0.00 C ATOM 1209 OE1 GLN A 74 7.526 12.363 3.543 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.745 13.114 1.439 1.00 0.00 N ATOM 0 H GLN A 74 7.269 7.284 2.408 1.00 0.00 H new ATOM 0 HA GLN A 74 7.284 9.109 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.182 9.139 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.683 9.901 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.515 11.090 0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.456 11.187 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.536 12.976 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.294 13.921 1.736 1.00 0.00 H new ATOM 1219 N GLU A 75 9.994 9.067 2.159 1.00 0.00 N ATOM 1220 CA GLU A 75 11.402 9.448 2.206 1.00 0.00 C ATOM 1221 C GLU A 75 12.172 8.835 1.040 1.00 0.00 C ATOM 1222 O GLU A 75 13.185 9.382 0.597 1.00 0.00 O ATOM 1223 CB GLU A 75 12.025 9.007 3.533 1.00 0.00 C ATOM 1224 CG GLU A 75 12.164 10.134 4.543 1.00 0.00 C ATOM 1225 CD GLU A 75 12.971 9.728 5.761 1.00 0.00 C ATOM 1226 OE1 GLU A 75 12.445 8.961 6.593 1.00 0.00 O ATOM 1227 OE2 GLU A 75 14.130 10.180 5.881 1.00 0.00 O ATOM 0 H GLU A 75 9.677 8.521 2.960 1.00 0.00 H new ATOM 0 HA GLU A 75 11.463 10.533 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.414 8.215 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.009 8.580 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.641 10.989 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.173 10.458 4.860 1.00 0.00 H new ATOM 1234 N LYS A 76 11.673 7.709 0.535 1.00 0.00 N ATOM 1235 CA LYS A 76 12.317 7.012 -0.572 1.00 0.00 C ATOM 1236 C LYS A 76 11.938 7.655 -1.898 1.00 0.00 C ATOM 1237 O LYS A 76 12.803 8.027 -2.697 1.00 0.00 O ATOM 1238 CB LYS A 76 11.916 5.534 -0.574 1.00 0.00 C ATOM 1239 CG LYS A 76 12.821 4.660 -1.427 1.00 0.00 C ATOM 1240 CD LYS A 76 12.261 3.254 -1.572 1.00 0.00 C ATOM 1241 CE LYS A 76 13.265 2.319 -2.226 1.00 0.00 C ATOM 1242 NZ LYS A 76 12.773 0.915 -2.265 1.00 0.00 N ATOM 0 H LYS A 76 10.823 7.260 0.877 1.00 0.00 H new ATOM 0 HA LYS A 76 13.397 7.085 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.926 5.162 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.892 5.444 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.939 5.109 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.813 4.613 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.988 2.867 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.349 3.284 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.471 2.660 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.207 2.358 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.487 0.310 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.601 0.580 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.887 0.873 -2.808 1.00 0.00 H new ATOM 1256 N VAL A 77 10.635 7.784 -2.120 1.00 0.00 N ATOM 1257 CA VAL A 77 10.126 8.385 -3.339 1.00 0.00 C ATOM 1258 C VAL A 77 10.652 9.802 -3.486 1.00 0.00 C ATOM 1259 O VAL A 77 10.783 10.315 -4.599 1.00 0.00 O ATOM 1260 CB VAL A 77 8.585 8.401 -3.367 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.031 9.156 -2.171 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.084 9.014 -4.662 1.00 0.00 C ATOM 0 H VAL A 77 9.913 7.478 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 77 10.474 7.776 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 77 8.232 7.371 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.942 9.154 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.360 8.673 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.393 10.184 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.994 9.017 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.450 10.037 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.447 8.428 -5.506 1.00 0.00 H new ATOM 1272 N GLU A 78 10.957 10.436 -2.355 1.00 0.00 N ATOM 1273 CA GLU A 78 11.489 11.788 -2.368 1.00 0.00 C ATOM 1274 C GLU A 78 12.811 11.803 -3.115 1.00 0.00 C ATOM 1275 O GLU A 78 13.029 12.630 -4.000 1.00 0.00 O ATOM 1276 CB GLU A 78 11.682 12.304 -0.941 1.00 0.00 C ATOM 1277 CG GLU A 78 10.579 13.242 -0.478 1.00 0.00 C ATOM 1278 CD GLU A 78 10.956 14.012 0.771 1.00 0.00 C ATOM 1279 OE1 GLU A 78 10.981 13.401 1.861 1.00 0.00 O ATOM 1280 OE2 GLU A 78 11.226 15.226 0.661 1.00 0.00 O ATOM 0 H GLU A 78 10.844 10.033 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 78 10.780 12.444 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.734 11.454 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.639 12.822 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.346 13.945 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.674 12.666 -0.286 1.00 0.00 H new ATOM 1287 N ILE A 79 13.695 10.883 -2.738 1.00 0.00 N ATOM 1288 CA ILE A 79 15.001 10.768 -3.394 1.00 0.00 C ATOM 1289 C ILE A 79 14.850 10.564 -4.905 1.00 0.00 C ATOM 1290 O ILE A 79 15.842 10.493 -5.630 1.00 0.00 O ATOM 1291 CB ILE A 79 15.834 9.610 -2.810 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.820 9.661 -1.283 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.264 9.664 -3.328 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.552 8.321 -0.645 1.00 0.00 C ATOM 0 H ILE A 79 13.536 10.210 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 79 15.524 11.706 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 79 15.387 8.669 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.780 10.039 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.059 10.370 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.836 8.838 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.261 9.583 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.721 10.609 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.556 8.427 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.580 7.951 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.327 7.615 -0.943 1.00 0.00 H new ATOM 1306 N LYS A 80 13.601 10.468 -5.364 1.00 0.00 N ATOM 1307 CA LYS A 80 13.288 10.284 -6.779 1.00 0.00 C ATOM 1308 C LYS A 80 13.479 8.831 -7.206 1.00 0.00 C ATOM 1309 O LYS A 80 14.576 8.275 -7.121 1.00 0.00 O ATOM 1310 CB LYS A 80 14.113 11.251 -7.641 1.00 0.00 C ATOM 1311 CG LYS A 80 15.165 10.592 -8.522 1.00 0.00 C ATOM 1312 CD LYS A 80 15.734 11.571 -9.536 1.00 0.00 C ATOM 1313 CE LYS A 80 17.213 11.322 -9.782 1.00 0.00 C ATOM 1314 NZ LYS A 80 17.895 12.526 -10.332 1.00 0.00 N ATOM 0 H LYS A 80 12.778 10.516 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 80 12.235 10.520 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.433 11.818 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.608 11.967 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.970 10.202 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.724 9.742 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.188 11.482 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.590 12.591 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.692 11.028 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.330 10.490 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.902 12.315 -10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.455 12.792 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.805 13.314 -9.659 1.00 0.00 H new ATOM 1328 N GLN A 81 12.379 8.224 -7.645 1.00 0.00 N ATOM 1329 CA GLN A 81 12.373 6.834 -8.096 1.00 0.00 C ATOM 1330 C GLN A 81 10.960 6.408 -8.481 1.00 0.00 C ATOM 1331 O GLN A 81 10.765 5.657 -9.437 1.00 0.00 O ATOM 1332 CB GLN A 81 12.911 5.910 -7.001 1.00 0.00 C ATOM 1333 CG GLN A 81 14.248 5.278 -7.346 1.00 0.00 C ATOM 1334 CD GLN A 81 14.746 4.337 -6.266 1.00 0.00 C ATOM 1335 OE1 GLN A 81 14.592 4.606 -5.074 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.347 3.228 -6.678 1.00 0.00 N ATOM 0 H GLN A 81 11.468 8.680 -7.698 1.00 0.00 H new ATOM 0 HA GLN A 81 13.020 6.757 -8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.014 6.477 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.183 5.121 -6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.156 4.731 -8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.986 6.064 -7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.453 3.046 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.703 2.558 -5.997 1.00 0.00 H new ATOM 1345 N LEU A 82 9.980 6.895 -7.726 1.00 0.00 N ATOM 1346 CA LEU A 82 8.581 6.572 -7.980 1.00 0.00 C ATOM 1347 C LEU A 82 7.692 7.789 -7.738 1.00 0.00 C ATOM 1348 O LEU A 82 6.639 7.686 -7.107 1.00 0.00 O ATOM 1349 CB LEU A 82 8.133 5.413 -7.088 1.00 0.00 C ATOM 1350 CG LEU A 82 8.481 5.564 -5.607 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.285 5.204 -4.737 1.00 0.00 C ATOM 1352 CD2 LEU A 82 9.679 4.697 -5.253 1.00 0.00 C ATOM 0 H LEU A 82 10.130 7.516 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 82 8.485 6.274 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.053 5.299 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.584 4.493 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 82 8.740 6.606 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.552 5.318 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.451 5.865 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.994 4.171 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.914 4.816 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.445 3.652 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.538 5.001 -5.852 1.00 0.00 H new ATOM 1364 N ASN A 83 8.123 8.940 -8.245 1.00 0.00 N ATOM 1365 CA ASN A 83 7.369 10.177 -8.081 1.00 0.00 C ATOM 1366 C ASN A 83 5.994 10.067 -8.730 1.00 0.00 C ATOM 1367 O ASN A 83 5.036 10.707 -8.293 1.00 0.00 O ATOM 1368 CB ASN A 83 8.138 11.352 -8.687 1.00 0.00 C ATOM 1369 CG ASN A 83 7.586 12.693 -8.245 1.00 0.00 C ATOM 1370 OD1 ASN A 83 6.584 13.172 -8.777 1.00 0.00 O ATOM 1371 ND2 ASN A 83 8.240 13.309 -7.266 1.00 0.00 N ATOM 0 H ASN A 83 8.990 9.041 -8.773 1.00 0.00 H new ATOM 0 HA ASN A 83 7.234 10.351 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.188 11.282 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.099 11.286 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.916 14.215 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.066 12.876 -6.853 1.00 0.00 H new ATOM 1378 N HIS A 84 5.903 9.251 -9.775 1.00 0.00 N ATOM 1379 CA HIS A 84 4.642 9.058 -10.483 1.00 0.00 C ATOM 1380 C HIS A 84 3.656 8.263 -9.631 1.00 0.00 C ATOM 1381 O HIS A 84 2.452 8.513 -9.666 1.00 0.00 O ATOM 1382 CB HIS A 84 4.873 8.348 -11.822 1.00 0.00 C ATOM 1383 CG HIS A 84 5.981 7.340 -11.794 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.308 7.683 -11.640 1.00 0.00 N ATOM 1385 CD2 HIS A 84 5.953 5.992 -11.905 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.048 6.588 -11.656 1.00 0.00 C ATOM 1387 NE2 HIS A 84 7.250 5.549 -11.816 1.00 0.00 N ATOM 0 H HIS A 84 6.685 8.714 -10.150 1.00 0.00 H new ATOM 0 HA HIS A 84 4.216 10.042 -10.679 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.951 7.851 -12.122 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.094 9.095 -12.584 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.074 5.378 -12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.123 6.550 -11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.548 4.575 -11.866 1.00 0.00 H new ATOM 1396 N PHE A 85 4.174 7.308 -8.861 1.00 0.00 N ATOM 1397 CA PHE A 85 3.329 6.488 -7.999 1.00 0.00 C ATOM 1398 C PHE A 85 2.672 7.347 -6.926 1.00 0.00 C ATOM 1399 O PHE A 85 1.604 7.011 -6.414 1.00 0.00 O ATOM 1400 CB PHE A 85 4.142 5.368 -7.347 1.00 0.00 C ATOM 1401 CG PHE A 85 3.292 4.298 -6.717 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.585 3.405 -7.505 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.202 4.185 -5.338 1.00 0.00 C ATOM 1404 CE1 PHE A 85 1.802 2.420 -6.931 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.419 3.202 -4.758 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.719 2.319 -5.556 1.00 0.00 C ATOM 0 H PHE A 85 5.168 7.085 -8.817 1.00 0.00 H new ATOM 0 HA PHE A 85 2.552 6.038 -8.617 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.787 4.913 -8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.794 5.798 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.646 3.479 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.749 4.872 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.256 1.730 -7.557 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.356 3.126 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.108 1.551 -5.106 1.00 0.00 H new ATOM 1416 N TRP A 86 3.320 8.459 -6.590 1.00 0.00 N ATOM 1417 CA TRP A 86 2.800 9.369 -5.582 1.00 0.00 C ATOM 1418 C TRP A 86 1.682 10.226 -6.163 1.00 0.00 C ATOM 1419 O TRP A 86 0.591 10.306 -5.598 1.00 0.00 O ATOM 1420 CB TRP A 86 3.925 10.255 -5.047 1.00 0.00 C ATOM 1421 CG TRP A 86 3.552 11.000 -3.806 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.600 12.347 -3.621 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.076 10.440 -2.577 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.183 12.665 -2.351 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.856 11.510 -1.689 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.815 9.137 -2.141 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.386 11.316 -0.392 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.348 8.947 -0.854 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.137 10.031 0.006 1.00 0.00 C ATOM 0 H TRP A 86 4.206 8.749 -7.003 1.00 0.00 H new ATOM 0 HA TRP A 86 2.391 8.783 -4.759 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.799 9.637 -4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.214 10.969 -5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.919 13.062 -4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.126 13.607 -1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 86 2.975 8.295 -2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.224 12.150 0.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.142 7.945 -0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.770 9.849 1.005 1.00 0.00 H new ATOM 1440 N GLU A 87 1.961 10.863 -7.299 1.00 0.00 N ATOM 1441 CA GLU A 87 0.973 11.704 -7.965 1.00 0.00 C ATOM 1442 C GLU A 87 -0.231 10.870 -8.386 1.00 0.00 C ATOM 1443 O GLU A 87 -1.313 11.401 -8.643 1.00 0.00 O ATOM 1444 CB GLU A 87 1.590 12.388 -9.186 1.00 0.00 C ATOM 1445 CG GLU A 87 2.571 13.494 -8.833 1.00 0.00 C ATOM 1446 CD GLU A 87 3.230 14.101 -10.055 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.176 13.484 -10.588 1.00 0.00 O ATOM 1448 OE2 GLU A 87 2.800 15.194 -10.480 1.00 0.00 O ATOM 0 H GLU A 87 2.862 10.812 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 87 0.643 12.471 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.102 11.640 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.792 12.804 -9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.049 14.275 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.339 13.095 -8.171 1.00 0.00 H new ATOM 1455 N ILE A 88 -0.029 9.559 -8.450 1.00 0.00 N ATOM 1456 CA ILE A 88 -1.093 8.638 -8.824 1.00 0.00 C ATOM 1457 C ILE A 88 -1.921 8.270 -7.598 1.00 0.00 C ATOM 1458 O ILE A 88 -3.125 8.523 -7.550 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.536 7.356 -9.481 1.00 0.00 C ATOM 1460 CG1 ILE A 88 -0.104 7.642 -10.920 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.573 6.241 -9.450 1.00 0.00 C ATOM 1462 CD1 ILE A 88 0.821 6.592 -11.496 1.00 0.00 C ATOM 0 H ILE A 88 0.864 9.110 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.724 9.143 -9.555 1.00 0.00 H new ATOM 0 HB ILE A 88 0.335 7.029 -8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.991 7.716 -11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.394 8.611 -10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.160 5.347 -9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.839 6.020 -8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.463 6.557 -9.994 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.085 6.861 -12.519 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.726 6.533 -10.891 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.319 5.624 -11.494 1.00 0.00 H new ATOM 1474 N VAL A 89 -1.263 7.665 -6.613 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.925 7.267 -5.375 1.00 0.00 C ATOM 1476 C VAL A 89 -2.727 8.423 -4.778 1.00 0.00 C ATOM 1477 O VAL A 89 -3.770 8.208 -4.158 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.910 6.755 -4.332 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.559 6.608 -2.964 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.307 5.434 -4.784 1.00 0.00 C ATOM 0 H VAL A 89 -0.269 7.439 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.608 6.456 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.111 7.491 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.821 6.246 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.939 7.576 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.383 5.897 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.407 5.086 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.099 4.694 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.203 5.574 -5.737 1.00 0.00 H new ATOM 1490 N VAL A 90 -2.244 9.647 -4.971 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.934 10.820 -4.446 1.00 0.00 C ATOM 1492 C VAL A 90 -4.124 11.182 -5.333 1.00 0.00 C ATOM 1493 O VAL A 90 -5.228 11.409 -4.841 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.988 12.036 -4.312 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.488 12.500 -5.671 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.683 13.172 -3.577 1.00 0.00 C ATOM 0 H VAL A 90 -1.385 9.851 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.291 10.564 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.121 11.725 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.826 13.356 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.943 11.689 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.336 12.788 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.003 14.020 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.572 13.474 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.973 12.837 -2.581 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.879 11.256 -6.639 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.929 11.563 -7.605 1.00 0.00 C ATOM 1508 C GLN A 91 -6.129 10.635 -7.423 1.00 0.00 C ATOM 1509 O GLN A 91 -7.273 11.036 -7.636 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.391 11.443 -9.032 1.00 0.00 C ATOM 1511 CG GLN A 91 -5.371 11.914 -10.094 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.841 11.719 -11.501 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -3.764 12.206 -11.845 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -5.600 11.004 -12.325 1.00 0.00 N ATOM 0 H GLN A 91 -2.959 11.107 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.256 12.588 -7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.472 12.023 -9.115 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.130 10.403 -9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.309 11.371 -9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.593 12.969 -9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.486 10.619 -11.997 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.297 10.840 -13.285 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.858 9.392 -7.027 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.916 8.407 -6.813 1.00 0.00 C ATOM 1525 C ASP A 92 -7.714 8.722 -5.550 1.00 0.00 C ATOM 1526 O ASP A 92 -8.592 7.958 -5.150 1.00 0.00 O ATOM 1527 CB ASP A 92 -6.317 7.003 -6.715 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.126 6.359 -8.075 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.085 6.619 -8.714 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.019 5.596 -8.501 1.00 0.00 O ATOM 0 H ASP A 92 -4.916 9.044 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.594 8.450 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.356 7.056 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.968 6.375 -6.107 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.400 9.854 -4.928 1.00 0.00 N ATOM 1536 CA GLY A 93 -8.092 10.263 -3.721 1.00 0.00 C ATOM 1537 C GLY A 93 -7.671 9.473 -2.498 1.00 0.00 C ATOM 1538 O GLY A 93 -8.256 9.627 -1.426 1.00 0.00 O ATOM 0 H GLY A 93 -6.674 10.498 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.906 11.322 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.166 10.148 -3.868 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.658 8.625 -2.651 1.00 0.00 N ATOM 1543 CA ILE A 94 -6.170 7.819 -1.539 1.00 0.00 C ATOM 1544 C ILE A 94 -5.340 8.663 -0.580 1.00 0.00 C ATOM 1545 O ILE A 94 -4.518 9.476 -1.006 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.317 6.631 -2.027 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.975 5.960 -3.236 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.113 5.628 -0.902 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -5.054 5.020 -3.983 1.00 0.00 C ATOM 0 H ILE A 94 -6.162 8.479 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.048 7.432 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.341 7.007 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.852 5.406 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.328 6.731 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.509 4.795 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.603 6.113 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.081 5.256 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.588 4.582 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.189 5.573 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.721 4.228 -3.313 1.00 0.00 H new ATOM 1561 N THR A 95 -5.557 8.466 0.716 1.00 0.00 N ATOM 1562 CA THR A 95 -4.829 9.213 1.734 1.00 0.00 C ATOM 1563 C THR A 95 -4.145 8.277 2.720 1.00 0.00 C ATOM 1564 O THR A 95 -4.509 7.107 2.836 1.00 0.00 O ATOM 1565 CB THR A 95 -5.759 10.164 2.510 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.556 9.419 3.439 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.667 10.931 1.560 1.00 0.00 C ATOM 0 H THR A 95 -6.231 7.796 1.086 1.00 0.00 H new ATOM 0 HA THR A 95 -4.075 9.801 1.211 1.00 0.00 H new ATOM 0 HB THR A 95 -5.139 10.879 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.144 10.031 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.314 11.596 2.132 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.060 11.519 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.278 10.228 0.994 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.145 8.802 3.421 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.397 8.026 4.406 1.00 0.00 C ATOM 1577 C LEU A 96 -3.324 7.356 5.411 1.00 0.00 C ATOM 1578 O LEU A 96 -4.539 7.556 5.393 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.405 8.929 5.146 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.029 9.102 4.486 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.996 8.198 5.152 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.091 8.826 2.987 1.00 0.00 C ATOM 0 H LEU A 96 -2.832 9.768 3.325 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.855 7.247 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.857 9.914 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.257 8.527 6.148 1.00 0.00 H new ATOM 0 HG LEU A 96 0.277 10.139 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.966 8.333 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.075 8.454 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.683 7.159 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.900 8.958 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.428 7.803 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.789 9.520 2.518 1.00 0.00 H new ATOM 1594 N ILE A 97 -2.732 6.565 6.295 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.485 5.856 7.318 1.00 0.00 C ATOM 1596 C ILE A 97 -4.054 6.836 8.345 1.00 0.00 C ATOM 1597 O ILE A 97 -3.308 7.522 9.045 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.594 4.801 8.016 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.789 3.429 7.363 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -2.885 4.730 9.510 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.162 3.314 5.987 1.00 0.00 C ATOM 0 H ILE A 97 -1.726 6.398 6.323 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.316 5.342 6.835 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.554 5.104 7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.363 2.664 8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.856 3.222 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.243 3.980 9.971 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.692 5.702 9.965 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.929 4.458 9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.341 2.316 5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.605 4.055 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.089 3.488 6.061 1.00 0.00 H new ATOM 1613 N THR A 98 -5.381 6.912 8.413 1.00 0.00 N ATOM 1614 CA THR A 98 -6.047 7.808 9.352 1.00 0.00 C ATOM 1615 C THR A 98 -6.643 7.038 10.526 1.00 0.00 C ATOM 1616 O THR A 98 -7.120 5.914 10.369 1.00 0.00 O ATOM 1617 CB THR A 98 -7.166 8.612 8.663 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.678 7.882 7.542 1.00 0.00 O ATOM 1619 CG2 THR A 98 -6.653 9.967 8.200 1.00 0.00 C ATOM 0 H THR A 98 -6.014 6.365 7.830 1.00 0.00 H new ATOM 0 HA THR A 98 -5.286 8.496 9.722 1.00 0.00 H new ATOM 0 HB THR A 98 -7.965 8.771 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.390 8.400 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.461 10.516 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.293 10.533 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.837 9.824 7.492 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.607 7.655 11.705 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.140 7.040 12.916 1.00 0.00 C ATOM 1629 C LYS A 99 -8.585 6.589 12.728 1.00 0.00 C ATOM 1630 O LYS A 99 -8.946 5.470 13.089 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.057 8.020 14.086 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.419 9.449 13.716 1.00 0.00 C ATOM 1633 CD LYS A 99 -6.461 10.445 14.349 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.133 11.786 14.600 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.384 11.639 15.394 1.00 0.00 N ATOM 0 H LYS A 99 -6.212 8.585 11.846 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.534 6.160 13.131 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.722 7.681 14.880 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.045 8.004 14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.400 9.562 12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.437 9.664 14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.087 10.043 15.291 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.599 10.586 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.443 12.445 15.128 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.362 12.262 13.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.767 12.580 15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.084 11.102 14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.176 11.132 16.278 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.411 7.468 12.172 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.816 7.151 11.943 1.00 0.00 C ATOM 1651 C GLU A 100 -10.955 5.842 11.172 1.00 0.00 C ATOM 1652 O GLU A 100 -11.909 5.089 11.371 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.499 8.284 11.176 1.00 0.00 C ATOM 1654 CG GLU A 100 -11.984 9.414 12.069 1.00 0.00 C ATOM 1655 CD GLU A 100 -12.666 10.521 11.289 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -11.954 11.385 10.736 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -13.915 10.523 11.230 1.00 0.00 O ATOM 0 H GLU A 100 -9.134 8.403 11.872 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.301 7.037 12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.802 8.686 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.347 7.879 10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.678 9.015 12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.138 9.828 12.617 1.00 0.00 H new ATOM 1664 N GLU A 101 -9.995 5.581 10.292 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.002 4.364 9.489 1.00 0.00 C ATOM 1666 C GLU A 101 -9.510 3.162 10.291 1.00 0.00 C ATOM 1667 O GLU A 101 -9.926 2.030 10.040 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.137 4.550 8.241 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.823 5.335 7.135 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.879 4.570 5.827 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.845 4.512 5.129 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.957 4.029 5.502 1.00 0.00 O ATOM 0 H GLU A 101 -9.201 6.197 10.116 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.032 4.169 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.216 5.062 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.853 3.570 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.836 5.587 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.294 6.275 6.980 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.625 3.405 11.256 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.085 2.323 12.076 1.00 0.00 C ATOM 1681 C ALA A 102 -7.593 2.821 13.432 1.00 0.00 C ATOM 1682 O ALA A 102 -7.036 3.913 13.535 1.00 0.00 O ATOM 1683 CB ALA A 102 -6.959 1.618 11.339 1.00 0.00 C ATOM 0 H ALA A 102 -8.269 4.333 11.488 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.896 1.618 12.260 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.565 0.814 11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.339 1.202 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.164 2.331 11.121 1.00 0.00 H new ATOM 1689 N SER A 103 -7.818 1.996 14.460 1.00 0.00 N ATOM 1690 CA SER A 103 -7.406 2.293 15.837 1.00 0.00 C ATOM 1691 C SER A 103 -8.502 3.040 16.589 1.00 0.00 C ATOM 1692 O SER A 103 -9.123 2.491 17.499 1.00 0.00 O ATOM 1693 CB SER A 103 -6.100 3.093 15.876 1.00 0.00 C ATOM 1694 OG SER A 103 -5.365 2.815 17.055 1.00 0.00 O ATOM 0 H SER A 103 -8.293 1.099 14.360 1.00 0.00 H new ATOM 0 HA SER A 103 -7.232 1.338 16.332 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.496 2.851 15.002 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.322 4.159 15.825 1.00 0.00 H new ATOM 0 HG SER A 103 -4.536 3.337 17.054 1.00 0.00 H new ATOM 1700 N GLY A 104 -8.740 4.292 16.209 1.00 0.00 N ATOM 1701 CA GLY A 104 -9.769 5.078 16.866 1.00 0.00 C ATOM 1702 C GLY A 104 -9.244 6.389 17.417 1.00 0.00 C ATOM 1703 O GLY A 104 -8.883 6.476 18.590 1.00 0.00 O ATOM 0 H GLY A 104 -8.241 4.774 15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.572 5.282 16.157 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.202 4.495 17.679 1.00 0.00 H new ATOM 1707 N SER A 105 -9.195 7.409 16.562 1.00 0.00 N ATOM 1708 CA SER A 105 -8.719 8.732 16.958 1.00 0.00 C ATOM 1709 C SER A 105 -7.241 8.698 17.336 1.00 0.00 C ATOM 1710 O SER A 105 -6.719 9.651 17.916 1.00 0.00 O ATOM 1711 CB SER A 105 -9.549 9.274 18.126 1.00 0.00 C ATOM 1712 OG SER A 105 -8.899 9.045 19.365 1.00 0.00 O ATOM 0 H SER A 105 -9.481 7.343 15.585 1.00 0.00 H new ATOM 0 HA SER A 105 -8.836 9.397 16.102 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.716 10.343 17.992 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.529 8.796 18.132 1.00 0.00 H new ATOM 0 HG SER A 105 -8.704 8.089 19.460 1.00 0.00 H new ATOM 1718 N SER A 106 -6.568 7.598 17.005 1.00 0.00 N ATOM 1719 CA SER A 106 -5.150 7.449 17.312 1.00 0.00 C ATOM 1720 C SER A 106 -4.302 7.476 16.042 1.00 0.00 C ATOM 1721 O SER A 106 -4.111 6.448 15.393 1.00 0.00 O ATOM 1722 CB SER A 106 -4.909 6.146 18.075 1.00 0.00 C ATOM 1723 OG SER A 106 -5.528 6.178 19.349 1.00 0.00 O ATOM 0 H SER A 106 -6.982 6.799 16.525 1.00 0.00 H new ATOM 0 HA SER A 106 -4.852 8.291 17.936 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.299 5.307 17.499 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.838 5.982 18.192 1.00 0.00 H new ATOM 0 HG SER A 106 -5.360 5.333 19.816 1.00 0.00 H new ATOM 1729 N VAL A 107 -3.789 8.660 15.711 1.00 0.00 N ATOM 1730 CA VAL A 107 -2.947 8.859 14.528 1.00 0.00 C ATOM 1731 C VAL A 107 -2.481 10.310 14.461 1.00 0.00 C ATOM 1732 O VAL A 107 -3.204 11.223 14.859 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.669 8.480 13.208 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.329 9.451 12.084 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.305 7.063 12.794 1.00 0.00 C ATOM 0 H VAL A 107 -3.944 9.509 16.254 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.090 8.193 14.630 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.742 8.538 13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.853 9.154 11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.637 10.458 12.367 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.254 9.437 11.904 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.819 6.812 11.866 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.228 6.994 12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.607 6.367 13.576 1.00 0.00 H new ATOM 1745 N THR A 108 -1.273 10.513 13.958 1.00 0.00 N ATOM 1746 CA THR A 108 -0.705 11.847 13.853 1.00 0.00 C ATOM 1747 C THR A 108 -1.301 12.634 12.687 1.00 0.00 C ATOM 1748 O THR A 108 -1.707 12.061 11.676 1.00 0.00 O ATOM 1749 CB THR A 108 0.822 11.781 13.678 1.00 0.00 C ATOM 1750 OG1 THR A 108 1.294 10.465 13.991 1.00 0.00 O ATOM 1751 CG2 THR A 108 1.514 12.797 14.572 1.00 0.00 C ATOM 0 H THR A 108 -0.666 9.768 13.615 1.00 0.00 H new ATOM 0 HA THR A 108 -0.950 12.361 14.782 1.00 0.00 H new ATOM 0 HB THR A 108 1.057 12.015 12.640 1.00 0.00 H new ATOM 0 HG1 THR A 108 2.267 10.430 13.876 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.593 12.731 14.430 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.175 13.800 14.313 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.271 12.589 15.614 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.347 13.953 12.848 1.00 0.00 N ATOM 1760 CA ALA A 109 -1.871 14.846 11.821 1.00 0.00 C ATOM 1761 C ALA A 109 -0.810 15.112 10.760 1.00 0.00 C ATOM 1762 O ALA A 109 -1.096 15.644 9.689 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.342 16.153 12.441 1.00 0.00 C ATOM 0 H ALA A 109 -1.024 14.430 13.689 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.725 14.364 11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.730 16.807 11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.129 15.949 13.167 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.505 16.641 12.941 1.00 0.00 H new ATOM 1769 N GLU A 110 0.420 14.732 11.082 1.00 0.00 N ATOM 1770 CA GLU A 110 1.553 14.924 10.188 1.00 0.00 C ATOM 1771 C GLU A 110 1.639 13.778 9.188 1.00 0.00 C ATOM 1772 O GLU A 110 2.322 13.872 8.169 1.00 0.00 O ATOM 1773 CB GLU A 110 2.855 15.026 10.984 1.00 0.00 C ATOM 1774 CG GLU A 110 3.688 16.250 10.635 1.00 0.00 C ATOM 1775 CD GLU A 110 4.896 16.409 11.535 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.873 15.652 11.357 1.00 0.00 O ATOM 1777 OE2 GLU A 110 4.866 17.291 12.418 1.00 0.00 O ATOM 0 H GLU A 110 0.659 14.284 11.967 1.00 0.00 H new ATOM 0 HA GLU A 110 1.405 15.856 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.620 15.048 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.450 14.130 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.019 16.176 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.065 17.142 10.708 1.00 0.00 H new ATOM 1784 N GLU A 111 0.946 12.688 9.495 1.00 0.00 N ATOM 1785 CA GLU A 111 0.957 11.516 8.639 1.00 0.00 C ATOM 1786 C GLU A 111 -0.039 11.662 7.494 1.00 0.00 C ATOM 1787 O GLU A 111 0.293 11.406 6.338 1.00 0.00 O ATOM 1788 CB GLU A 111 0.640 10.259 9.458 1.00 0.00 C ATOM 1789 CG GLU A 111 0.113 9.107 8.624 1.00 0.00 C ATOM 1790 CD GLU A 111 0.306 7.763 9.297 1.00 0.00 C ATOM 1791 OE1 GLU A 111 1.424 7.501 9.789 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -0.661 6.973 9.334 1.00 0.00 O ATOM 0 H GLU A 111 0.370 12.595 10.332 1.00 0.00 H new ATOM 0 HA GLU A 111 1.955 11.420 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.542 9.937 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.096 10.510 10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.948 9.261 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.619 9.101 7.658 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.258 12.083 7.814 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.301 12.226 6.806 1.00 0.00 C ATOM 1801 C ALA A 112 -2.293 13.593 6.120 1.00 0.00 C ATOM 1802 O ALA A 112 -2.447 13.682 4.901 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.662 11.969 7.434 1.00 0.00 C ATOM 0 H ALA A 112 -1.547 12.330 8.760 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.096 11.487 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.438 12.077 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.690 10.958 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.834 12.687 8.235 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.115 14.656 6.899 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.139 16.014 6.355 1.00 0.00 C ATOM 1811 C LYS A 113 -0.822 16.421 5.696 1.00 0.00 C ATOM 1812 O LYS A 113 -0.821 16.945 4.582 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.492 17.017 7.454 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.740 16.648 8.238 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.297 17.845 8.990 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.793 17.710 9.224 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.317 18.792 10.102 1.00 0.00 N ATOM 0 H LYS A 113 -1.953 14.606 7.905 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.903 16.021 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.651 17.099 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.633 18.000 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.497 16.260 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.506 15.850 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.786 17.944 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.097 18.756 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.314 17.735 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.004 16.741 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.340 18.664 10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.838 18.753 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.139 19.716 9.659 1.00 0.00 H new ATOM 1831 N LYS A 114 0.296 16.183 6.375 1.00 0.00 N ATOM 1832 CA LYS A 114 1.599 16.572 5.840 1.00 0.00 C ATOM 1833 C LYS A 114 1.927 15.828 4.549 1.00 0.00 C ATOM 1834 O LYS A 114 2.568 16.380 3.654 1.00 0.00 O ATOM 1835 CB LYS A 114 2.694 16.329 6.876 1.00 0.00 C ATOM 1836 CG LYS A 114 3.724 17.444 6.948 1.00 0.00 C ATOM 1837 CD LYS A 114 4.778 17.301 5.862 1.00 0.00 C ATOM 1838 CE LYS A 114 5.810 18.414 5.938 1.00 0.00 C ATOM 1839 NZ LYS A 114 7.147 17.967 5.457 1.00 0.00 N ATOM 0 H LYS A 114 0.328 15.728 7.287 1.00 0.00 H new ATOM 0 HA LYS A 114 1.552 17.636 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.234 16.207 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.201 15.392 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.225 18.408 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.205 17.434 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.274 16.336 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.298 17.315 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.474 19.262 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.893 18.763 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.822 18.755 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.480 17.175 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.074 17.658 4.467 1.00 0.00 H new ATOM 1853 N PHE A 115 1.487 14.579 4.452 1.00 0.00 N ATOM 1854 CA PHE A 115 1.748 13.771 3.266 1.00 0.00 C ATOM 1855 C PHE A 115 0.971 14.284 2.056 1.00 0.00 C ATOM 1856 O PHE A 115 1.531 14.437 0.970 1.00 0.00 O ATOM 1857 CB PHE A 115 1.390 12.311 3.533 1.00 0.00 C ATOM 1858 CG PHE A 115 2.513 11.521 4.140 1.00 0.00 C ATOM 1859 CD1 PHE A 115 3.060 11.890 5.358 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.021 10.408 3.491 1.00 0.00 C ATOM 1861 CE1 PHE A 115 4.092 11.162 5.919 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.052 9.677 4.045 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.588 10.054 5.260 1.00 0.00 C ATOM 0 H PHE A 115 0.950 14.105 5.178 1.00 0.00 H new ATOM 0 HA PHE A 115 2.812 13.847 3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.528 12.272 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.091 11.841 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.675 12.757 5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.605 10.109 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.509 11.459 6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.439 8.811 3.529 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.395 9.483 5.695 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.318 14.548 2.246 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.161 15.039 1.160 1.00 0.00 C ATOM 1875 C LEU A 116 -1.064 16.556 1.031 1.00 0.00 C ATOM 1876 O LEU A 116 -1.844 17.177 0.310 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.617 14.623 1.383 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.959 13.202 0.931 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.057 12.272 2.130 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.259 13.190 0.136 1.00 0.00 C ATOM 0 H LEU A 116 -0.800 14.431 3.137 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.803 14.594 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.847 14.716 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.264 15.322 0.854 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.159 12.845 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.301 11.265 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.103 12.256 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.837 12.627 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.485 12.171 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.070 13.567 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.153 13.824 -0.744 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.102 17.146 1.735 1.00 0.00 N ATOM 1893 CA ALA A 117 0.098 18.589 1.694 1.00 0.00 C ATOM 1894 C ALA A 117 0.971 18.986 0.505 1.00 0.00 C ATOM 1895 O ALA A 117 1.761 18.179 0.013 1.00 0.00 O ATOM 1896 CB ALA A 117 0.723 19.071 2.994 1.00 0.00 C ATOM 0 H ALA A 117 0.550 16.647 2.340 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.875 19.065 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.867 20.151 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.064 18.826 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.686 18.582 3.138 1.00 0.00 H new