USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot 120:sc= 0.544 USER MOD Set 1.2: A 103 LYS NZ :NH3+ -110:sc= 0.587 (180deg=-0.0869) USER MOD Set 2.1: A 92 SER OG : rot -90:sc= 0.919 USER MOD Set 2.2: A 114 LYS NZ :NH3+ 166:sc= 1.05 (180deg=-0.149) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.228 K(o=0.23,f=-0.32) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0153 (180deg=-0.187) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 178:sc= -0.405 (180deg=-0.415) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.18) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 110:sc= -0.812 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0437 (180deg=-0.378) USER MOD Single : A 57 ASN : amide:sc= 0.529 K(o=0.53,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc= -0.0231 X(o=-0.023,f=0.14) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.584 USER MOD Single : A 69 ASN : amide:sc= 0.136 K(o=0.14,f=-7.8!) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 1.98 (180deg=0.971) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.215!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.027 K(o=-0.027,f=-0.81) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0521 (180deg=-0.292) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.0228 F(o=-1.3!,f=-0.023) USER MOD Single : A 107 GLN : amide:sc= -1.13 K(o=-1.1,f=-7.4!) USER MOD Single : A 108 LYS NZ :NH3+ 174:sc= -6.39! (180deg=-6.97!) USER MOD Single : A 112 GLN : amide:sc= -0.0444 K(o=-0.044,f=-1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 120 ASN : amide:sc= 0.00432 K(o=0.0043,f=-3.2!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -164:sc= -0.0566 (180deg=-0.392) USER MOD Single : A 126 LYS NZ :NH3+ 163:sc= 1.3 (180deg=1.16) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.211 F(o=-1.1,f=-0.21) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.011 F(o=-0.74,f=-0.011) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -21.410 2.473 3.544 1.00 0.00 N ATOM 2 CA GLY A 15 -20.769 2.579 2.211 1.00 0.00 C ATOM 3 C GLY A 15 -20.708 1.240 1.510 1.00 0.00 C ATOM 4 O GLY A 15 -21.030 0.213 2.105 1.00 0.00 O ATOM 0 HA2 GLY A 15 -21.325 3.287 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.761 2.977 2.323 1.00 0.00 H new ATOM 10 N SER A 16 -20.305 1.247 0.247 1.00 0.00 N ATOM 11 CA SER A 16 -20.195 0.019 -0.525 1.00 0.00 C ATOM 12 C SER A 16 -19.004 -0.810 -0.055 1.00 0.00 C ATOM 13 O SER A 16 -19.093 -2.033 0.078 1.00 0.00 O ATOM 14 CB SER A 16 -20.065 0.356 -2.010 1.00 0.00 C ATOM 15 OG SER A 16 -19.095 1.372 -2.218 1.00 0.00 O ATOM 0 H SER A 16 -20.049 2.091 -0.265 1.00 0.00 H new ATOM 0 HA SER A 16 -21.096 -0.575 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.785 -0.538 -2.566 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.029 0.684 -2.398 1.00 0.00 H new ATOM 0 HG SER A 16 -19.028 1.569 -3.176 1.00 0.00 H new ATOM 21 N SER A 17 -17.897 -0.132 0.207 1.00 0.00 N ATOM 22 CA SER A 17 -16.691 -0.780 0.695 1.00 0.00 C ATOM 23 C SER A 17 -16.741 -0.927 2.212 1.00 0.00 C ATOM 24 O SER A 17 -17.637 -0.394 2.870 1.00 0.00 O ATOM 25 CB SER A 17 -15.464 0.032 0.275 1.00 0.00 C ATOM 26 OG SER A 17 -15.373 0.119 -1.140 1.00 0.00 O ATOM 0 H SER A 17 -17.810 0.877 0.088 1.00 0.00 H new ATOM 0 HA SER A 17 -16.622 -1.777 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.522 1.033 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.562 -0.432 0.673 1.00 0.00 H new ATOM 0 HG SER A 17 -14.583 0.644 -1.385 1.00 0.00 H new ATOM 32 N GLY A 18 -15.784 -1.663 2.759 1.00 0.00 N ATOM 33 CA GLY A 18 -15.737 -1.876 4.190 1.00 0.00 C ATOM 34 C GLY A 18 -14.802 -0.904 4.870 1.00 0.00 C ATOM 35 O GLY A 18 -14.012 -0.231 4.203 1.00 0.00 O ATOM 0 H GLY A 18 -15.037 -2.118 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.739 -1.769 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.413 -2.896 4.395 1.00 0.00 H new ATOM 39 N ASN A 19 -14.882 -0.828 6.188 1.00 0.00 N ATOM 40 CA ASN A 19 -14.049 0.094 6.948 1.00 0.00 C ATOM 41 C ASN A 19 -12.605 -0.371 6.933 1.00 0.00 C ATOM 42 O ASN A 19 -12.326 -1.568 6.989 1.00 0.00 O ATOM 43 CB ASN A 19 -14.518 0.202 8.400 1.00 0.00 C ATOM 44 CG ASN A 19 -15.975 0.589 8.532 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.530 1.294 7.689 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.607 0.124 9.594 1.00 0.00 N ATOM 0 H ASN A 19 -15.514 -1.393 6.755 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.132 1.074 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.357 -0.754 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.905 0.939 8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.592 0.346 9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.110 -0.457 10.269 1.00 0.00 H new ATOM 53 N PRO A 20 -11.671 0.587 6.877 1.00 0.00 N ATOM 54 CA PRO A 20 -10.235 0.305 6.845 1.00 0.00 C ATOM 55 C PRO A 20 -9.780 -0.427 8.098 1.00 0.00 C ATOM 56 O PRO A 20 -8.886 -1.266 8.051 1.00 0.00 O ATOM 57 CB PRO A 20 -9.582 1.689 6.783 1.00 0.00 C ATOM 58 CG PRO A 20 -10.668 2.635 6.396 1.00 0.00 C ATOM 59 CD PRO A 20 -11.956 2.028 6.856 1.00 0.00 C ATOM 0 HA PRO A 20 -9.969 -0.336 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.151 1.961 7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.771 1.706 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.514 3.610 6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.678 2.791 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.242 2.394 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.776 2.265 6.178 1.00 0.00 H new ATOM 67 N GLU A 21 -10.410 -0.089 9.216 1.00 0.00 N ATOM 68 CA GLU A 21 -10.109 -0.709 10.501 1.00 0.00 C ATOM 69 C GLU A 21 -10.478 -2.192 10.508 1.00 0.00 C ATOM 70 O GLU A 21 -9.790 -3.008 11.119 1.00 0.00 O ATOM 71 CB GLU A 21 -10.869 0.008 11.612 1.00 0.00 C ATOM 72 CG GLU A 21 -10.720 -0.645 12.973 1.00 0.00 C ATOM 73 CD GLU A 21 -11.689 -0.089 13.989 1.00 0.00 C ATOM 74 OE1 GLU A 21 -11.470 1.041 14.468 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.687 -0.776 14.300 1.00 0.00 O ATOM 0 H GLU A 21 -11.142 0.620 9.258 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.035 -0.624 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.519 1.038 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.927 0.046 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.876 -1.719 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.701 -0.502 13.332 1.00 0.00 H new ATOM 82 N ASP A 22 -11.561 -2.532 9.821 1.00 0.00 N ATOM 83 CA ASP A 22 -12.071 -3.900 9.828 1.00 0.00 C ATOM 84 C ASP A 22 -11.220 -4.819 8.962 1.00 0.00 C ATOM 85 O ASP A 22 -11.449 -6.026 8.909 1.00 0.00 O ATOM 86 CB ASP A 22 -13.532 -3.942 9.380 1.00 0.00 C ATOM 87 CG ASP A 22 -14.473 -3.387 10.433 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.571 -3.985 11.524 1.00 0.00 O ATOM 89 OD2 ASP A 22 -15.125 -2.353 10.175 1.00 0.00 O ATOM 0 H ASP A 22 -12.103 -1.882 9.252 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.015 -4.262 10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.644 -3.371 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.811 -4.971 9.153 1.00 0.00 H new ATOM 94 N PHE A 23 -10.241 -4.243 8.286 1.00 0.00 N ATOM 95 CA PHE A 23 -9.248 -5.025 7.573 1.00 0.00 C ATOM 96 C PHE A 23 -8.134 -5.412 8.531 1.00 0.00 C ATOM 97 O PHE A 23 -7.770 -4.643 9.422 1.00 0.00 O ATOM 98 CB PHE A 23 -8.671 -4.231 6.398 1.00 0.00 C ATOM 99 CG PHE A 23 -9.587 -4.149 5.210 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.565 -3.172 5.136 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.466 -5.050 4.166 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.405 -3.094 4.043 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.303 -4.979 3.070 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.273 -3.998 3.008 1.00 0.00 C ATOM 0 H PHE A 23 -10.113 -3.233 8.216 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.724 -5.922 7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.437 -3.221 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.732 -4.689 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.672 -2.462 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.708 -5.818 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.164 -2.327 3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.199 -5.689 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.927 -3.938 2.151 1.00 0.00 H new ATOM 114 N LYS A 24 -7.585 -6.600 8.337 1.00 0.00 N ATOM 115 CA LYS A 24 -6.533 -7.112 9.197 1.00 0.00 C ATOM 116 C LYS A 24 -5.238 -6.367 8.905 1.00 0.00 C ATOM 117 O LYS A 24 -4.320 -6.330 9.725 1.00 0.00 O ATOM 118 CB LYS A 24 -6.340 -8.614 8.972 1.00 0.00 C ATOM 119 CG LYS A 24 -5.513 -9.295 10.049 1.00 0.00 C ATOM 120 CD LYS A 24 -6.250 -9.336 11.378 1.00 0.00 C ATOM 121 CE LYS A 24 -5.468 -10.118 12.422 1.00 0.00 C ATOM 122 NZ LYS A 24 -6.221 -10.252 13.697 1.00 0.00 N ATOM 0 H LYS A 24 -7.855 -7.233 7.584 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.815 -6.956 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.318 -9.093 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.859 -8.768 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.271 -10.310 9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.568 -8.766 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.419 -8.320 11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.230 -9.792 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.235 -11.109 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.518 -9.619 12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.653 -10.791 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.422 -9.307 14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.116 -10.751 13.521 1.00 0.00 H new ATOM 136 N VAL A 25 -5.185 -5.759 7.726 1.00 0.00 N ATOM 137 CA VAL A 25 -4.026 -4.995 7.314 1.00 0.00 C ATOM 138 C VAL A 25 -3.944 -3.671 8.066 1.00 0.00 C ATOM 139 O VAL A 25 -2.904 -3.035 8.070 1.00 0.00 O ATOM 140 CB VAL A 25 -4.033 -4.711 5.792 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.660 -5.858 5.033 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.742 -3.404 5.465 1.00 0.00 C ATOM 0 H VAL A 25 -5.938 -5.784 7.039 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.154 -5.604 7.552 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.994 -4.612 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.653 -5.635 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.092 -6.770 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.688 -5.997 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.725 -3.241 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.775 -3.455 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.234 -2.579 5.965 1.00 0.00 H new ATOM 152 N PHE A 26 -5.041 -3.260 8.697 1.00 0.00 N ATOM 153 CA PHE A 26 -5.070 -1.986 9.409 1.00 0.00 C ATOM 154 C PHE A 26 -3.989 -1.951 10.482 1.00 0.00 C ATOM 155 O PHE A 26 -3.177 -1.027 10.531 1.00 0.00 O ATOM 156 CB PHE A 26 -6.445 -1.747 10.037 1.00 0.00 C ATOM 157 CG PHE A 26 -6.575 -0.404 10.701 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.747 0.743 9.943 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.531 -0.289 12.083 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.870 1.978 10.548 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.654 0.945 12.692 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.823 2.079 11.924 1.00 0.00 C ATOM 0 H PHE A 26 -5.914 -3.786 8.730 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.876 -1.190 8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.209 -1.837 9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.641 -2.528 10.772 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.785 0.670 8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.399 -1.173 12.689 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.003 2.864 9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.618 1.022 13.769 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.918 3.044 12.399 1.00 0.00 H new ATOM 172 N LYS A 27 -3.975 -2.971 11.327 1.00 0.00 N ATOM 173 CA LYS A 27 -2.979 -3.079 12.381 1.00 0.00 C ATOM 174 C LYS A 27 -1.589 -3.273 11.778 1.00 0.00 C ATOM 175 O LYS A 27 -0.622 -2.647 12.207 1.00 0.00 O ATOM 176 CB LYS A 27 -3.332 -4.233 13.314 1.00 0.00 C ATOM 177 CG LYS A 27 -3.072 -3.931 14.783 1.00 0.00 C ATOM 178 CD LYS A 27 -1.599 -3.693 15.067 1.00 0.00 C ATOM 179 CE LYS A 27 -0.791 -4.928 14.751 1.00 0.00 C ATOM 180 NZ LYS A 27 -1.131 -6.065 15.646 1.00 0.00 N ATOM 0 H LYS A 27 -4.646 -3.739 11.302 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.972 -2.156 12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.385 -4.485 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.756 -5.112 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.644 -3.051 15.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.428 -4.762 15.392 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.239 -2.854 14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.464 -3.422 16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.965 -5.219 13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.271 -4.699 14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.405 -6.804 15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.171 -5.732 16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.056 -6.455 15.375 1.00 0.00 H new ATOM 194 N TYR A 28 -1.505 -4.123 10.765 1.00 0.00 N ATOM 195 CA TYR A 28 -0.228 -4.434 10.130 1.00 0.00 C ATOM 196 C TYR A 28 0.380 -3.218 9.438 1.00 0.00 C ATOM 197 O TYR A 28 1.558 -2.924 9.613 1.00 0.00 O ATOM 198 CB TYR A 28 -0.398 -5.573 9.130 1.00 0.00 C ATOM 199 CG TYR A 28 -0.279 -6.941 9.747 1.00 0.00 C ATOM 200 CD1 TYR A 28 0.964 -7.533 9.901 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.399 -7.637 10.176 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.094 -8.782 10.464 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.281 -8.892 10.743 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.032 -9.460 10.886 1.00 0.00 C ATOM 205 OH TYR A 28 0.093 -10.709 11.454 1.00 0.00 O ATOM 0 H TYR A 28 -2.305 -4.611 10.363 1.00 0.00 H new ATOM 0 HA TYR A 28 0.459 -4.742 10.918 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.374 -5.483 8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.352 -5.471 8.345 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.847 -7.005 9.573 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.377 -7.192 10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.071 -9.229 10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.161 -9.425 11.072 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.794 -11.048 11.697 1.00 0.00 H new ATOM 215 N MET A 29 -0.413 -2.510 8.656 1.00 0.00 N ATOM 216 CA MET A 29 0.085 -1.345 7.945 1.00 0.00 C ATOM 217 C MET A 29 0.343 -0.188 8.904 1.00 0.00 C ATOM 218 O MET A 29 1.182 0.668 8.637 1.00 0.00 O ATOM 219 CB MET A 29 -0.874 -0.918 6.834 1.00 0.00 C ATOM 220 CG MET A 29 -1.014 -1.954 5.731 1.00 0.00 C ATOM 221 SD MET A 29 -1.973 -1.357 4.330 1.00 0.00 S ATOM 222 CE MET A 29 -1.840 -2.754 3.221 1.00 0.00 C ATOM 0 H MET A 29 -1.399 -2.718 8.497 1.00 0.00 H new ATOM 0 HA MET A 29 1.032 -1.624 7.482 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.855 -0.722 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.524 0.019 6.401 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.022 -2.248 5.387 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.489 -2.847 6.136 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.414 -2.556 2.316 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.794 -2.913 2.960 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.232 -3.646 3.711 1.00 0.00 H new ATOM 232 N LYS A 30 -0.364 -0.163 10.027 1.00 0.00 N ATOM 233 CA LYS A 30 -0.114 0.851 11.036 1.00 0.00 C ATOM 234 C LYS A 30 1.203 0.602 11.762 1.00 0.00 C ATOM 235 O LYS A 30 1.904 1.547 12.122 1.00 0.00 O ATOM 236 CB LYS A 30 -1.267 0.941 12.032 1.00 0.00 C ATOM 237 CG LYS A 30 -2.000 2.265 11.945 1.00 0.00 C ATOM 238 CD LYS A 30 -1.083 3.424 12.316 1.00 0.00 C ATOM 239 CE LYS A 30 -1.720 4.771 12.020 1.00 0.00 C ATOM 240 NZ LYS A 30 -0.853 5.900 12.452 1.00 0.00 N ATOM 0 H LYS A 30 -1.105 -0.825 10.258 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.038 1.807 10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.968 0.127 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.882 0.807 13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.381 2.408 10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.862 2.251 12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.835 3.365 13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.147 3.337 11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.917 4.853 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.682 4.837 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.199 6.785 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.877 5.979 13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.124 5.726 12.141 1.00 0.00 H new ATOM 254 N ILE A 31 1.556 -0.657 11.980 1.00 0.00 N ATOM 255 CA ILE A 31 2.854 -0.955 12.568 1.00 0.00 C ATOM 256 C ILE A 31 3.935 -0.854 11.501 1.00 0.00 C ATOM 257 O ILE A 31 5.099 -0.675 11.819 1.00 0.00 O ATOM 258 CB ILE A 31 2.918 -2.334 13.260 1.00 0.00 C ATOM 259 CG1 ILE A 31 2.799 -3.470 12.244 1.00 0.00 C ATOM 260 CG2 ILE A 31 1.837 -2.436 14.325 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.727 -4.848 12.869 1.00 0.00 C ATOM 0 H ILE A 31 0.979 -1.470 11.765 1.00 0.00 H new ATOM 0 HA ILE A 31 3.021 -0.214 13.350 1.00 0.00 H new ATOM 0 HB ILE A 31 3.890 -2.431 13.743 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.908 -3.310 11.638 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.654 -3.432 11.569 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.891 -3.412 14.806 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.986 -1.655 15.071 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.858 -2.314 13.862 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.644 -5.600 12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.630 -5.031 13.452 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.856 -4.907 13.521 1.00 0.00 H new ATOM 273 N LEU A 32 3.526 -0.968 10.238 1.00 0.00 N ATOM 274 CA LEU A 32 4.405 -0.709 9.096 1.00 0.00 C ATOM 275 C LEU A 32 4.750 0.779 9.068 1.00 0.00 C ATOM 276 O LEU A 32 5.916 1.160 8.953 1.00 0.00 O ATOM 277 CB LEU A 32 3.692 -1.138 7.801 1.00 0.00 C ATOM 278 CG LEU A 32 4.542 -1.188 6.522 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.808 -1.964 5.441 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.861 0.211 6.018 1.00 0.00 C ATOM 0 H LEU A 32 2.579 -1.242 9.977 1.00 0.00 H new ATOM 0 HA LEU A 32 5.329 -1.281 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.263 -2.127 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.861 -0.454 7.629 1.00 0.00 H new ATOM 0 HG LEU A 32 5.480 -1.689 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.417 -1.995 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.620 -2.981 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.859 -1.474 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.463 0.143 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.933 0.739 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.415 0.755 6.782 1.00 0.00 H new ATOM 292 N GLU A 33 3.702 1.595 9.185 1.00 0.00 N ATOM 293 CA GLU A 33 3.793 3.044 9.323 1.00 0.00 C ATOM 294 C GLU A 33 4.880 3.433 10.319 1.00 0.00 C ATOM 295 O GLU A 33 5.600 4.417 10.134 1.00 0.00 O ATOM 296 CB GLU A 33 2.430 3.534 9.811 1.00 0.00 C ATOM 297 CG GLU A 33 1.952 4.835 9.207 1.00 0.00 C ATOM 298 CD GLU A 33 2.109 6.008 10.155 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.632 5.913 11.309 1.00 0.00 O ATOM 300 OE2 GLU A 33 2.698 7.030 9.757 1.00 0.00 O ATOM 0 H GLU A 33 2.741 1.254 9.186 1.00 0.00 H new ATOM 0 HA GLU A 33 4.056 3.499 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.689 2.762 9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.471 3.650 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.511 5.034 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.904 4.737 8.925 1.00 0.00 H new ATOM 307 N GLU A 34 4.975 2.653 11.378 1.00 0.00 N ATOM 308 CA GLU A 34 6.011 2.832 12.375 1.00 0.00 C ATOM 309 C GLU A 34 7.310 2.149 11.952 1.00 0.00 C ATOM 310 O GLU A 34 8.346 2.795 11.843 1.00 0.00 O ATOM 311 CB GLU A 34 5.534 2.270 13.714 1.00 0.00 C ATOM 312 CG GLU A 34 6.648 2.059 14.723 1.00 0.00 C ATOM 313 CD GLU A 34 6.131 1.581 16.059 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.709 0.411 16.151 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.140 2.374 17.020 1.00 0.00 O ATOM 0 H GLU A 34 4.338 1.880 11.571 1.00 0.00 H new ATOM 0 HA GLU A 34 6.212 3.899 12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.795 2.949 14.140 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.030 1.319 13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.358 1.331 14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.192 2.993 14.860 1.00 0.00 H new ATOM 322 N ALA A 35 7.219 0.855 11.670 1.00 0.00 N ATOM 323 CA ALA A 35 8.380 -0.019 11.513 1.00 0.00 C ATOM 324 C ALA A 35 9.365 0.483 10.466 1.00 0.00 C ATOM 325 O ALA A 35 10.573 0.442 10.689 1.00 0.00 O ATOM 326 CB ALA A 35 7.925 -1.430 11.177 1.00 0.00 C ATOM 0 H ALA A 35 6.328 0.376 11.542 1.00 0.00 H new ATOM 0 HA ALA A 35 8.911 -0.018 12.465 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.796 -2.075 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.295 -1.811 11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.357 -1.417 10.247 1.00 0.00 H new ATOM 332 N MET A 36 8.854 0.961 9.338 1.00 0.00 N ATOM 333 CA MET A 36 9.709 1.433 8.254 1.00 0.00 C ATOM 334 C MET A 36 10.659 2.528 8.724 1.00 0.00 C ATOM 335 O MET A 36 11.841 2.522 8.378 1.00 0.00 O ATOM 336 CB MET A 36 8.856 1.933 7.092 1.00 0.00 C ATOM 337 CG MET A 36 8.128 0.819 6.372 1.00 0.00 C ATOM 338 SD MET A 36 9.243 -0.247 5.436 1.00 0.00 S ATOM 339 CE MET A 36 8.092 -1.454 4.784 1.00 0.00 C ATOM 0 H MET A 36 7.854 1.032 9.149 1.00 0.00 H new ATOM 0 HA MET A 36 10.316 0.592 7.917 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.128 2.653 7.466 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.492 2.462 6.382 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.581 0.218 7.099 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.390 1.250 5.695 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.633 -2.184 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.593 -1.963 5.608 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.349 -0.951 4.165 1.00 0.00 H new ATOM 349 N GLU A 37 10.150 3.465 9.510 1.00 0.00 N ATOM 350 CA GLU A 37 10.998 4.538 10.021 1.00 0.00 C ATOM 351 C GLU A 37 11.598 4.171 11.379 1.00 0.00 C ATOM 352 O GLU A 37 12.656 4.673 11.766 1.00 0.00 O ATOM 353 CB GLU A 37 10.222 5.847 10.120 1.00 0.00 C ATOM 354 CG GLU A 37 11.111 7.038 10.431 1.00 0.00 C ATOM 355 CD GLU A 37 10.337 8.336 10.512 1.00 0.00 C ATOM 356 OE1 GLU A 37 9.730 8.603 11.572 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.323 9.096 9.523 1.00 0.00 O ATOM 0 H GLU A 37 9.174 3.508 9.805 1.00 0.00 H new ATOM 0 HA GLU A 37 11.816 4.675 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.699 6.026 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.462 5.755 10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.625 6.866 11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.879 7.124 9.662 1.00 0.00 H new ATOM 364 N ASN A 38 10.908 3.296 12.099 1.00 0.00 N ATOM 365 CA ASN A 38 11.362 2.824 13.406 1.00 0.00 C ATOM 366 C ASN A 38 12.641 2.011 13.252 1.00 0.00 C ATOM 367 O ASN A 38 13.467 1.947 14.166 1.00 0.00 O ATOM 368 CB ASN A 38 10.271 1.976 14.069 1.00 0.00 C ATOM 369 CG ASN A 38 10.640 1.466 15.455 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.367 2.262 16.225 1.00 0.00 O flip ATOM 371 ND2 ASN A 38 10.242 0.367 15.841 1.00 0.00 N flip ATOM 0 H ASN A 38 10.021 2.893 11.797 1.00 0.00 H new ATOM 0 HA ASN A 38 11.568 3.686 14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.359 2.568 14.142 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.047 1.124 13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.684 -0.220 15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.470 0.043 16.781 1.00 0.00 H new ATOM 378 N ASP A 39 12.785 1.390 12.086 1.00 0.00 N ATOM 379 CA ASP A 39 13.994 0.666 11.730 1.00 0.00 C ATOM 380 C ASP A 39 15.203 1.567 11.914 1.00 0.00 C ATOM 381 O ASP A 39 15.200 2.723 11.494 1.00 0.00 O ATOM 382 CB ASP A 39 13.915 0.195 10.277 1.00 0.00 C ATOM 383 CG ASP A 39 15.056 -0.727 9.906 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.141 -0.228 9.539 1.00 0.00 O ATOM 385 OD2 ASP A 39 14.867 -1.961 9.979 1.00 0.00 O ATOM 0 H ASP A 39 12.065 1.376 11.363 1.00 0.00 H new ATOM 0 HA ASP A 39 14.091 -0.204 12.379 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.968 -0.320 10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.922 1.062 9.616 1.00 0.00 H new ATOM 390 N THR A 40 16.227 1.022 12.552 1.00 0.00 N ATOM 391 CA THR A 40 17.407 1.785 12.937 1.00 0.00 C ATOM 392 C THR A 40 18.113 2.402 11.733 1.00 0.00 C ATOM 393 O THR A 40 18.779 3.430 11.855 1.00 0.00 O ATOM 394 CB THR A 40 18.398 0.897 13.713 1.00 0.00 C ATOM 395 OG1 THR A 40 18.628 -0.325 12.995 1.00 0.00 O ATOM 396 CG2 THR A 40 17.864 0.576 15.101 1.00 0.00 C ATOM 0 H THR A 40 16.265 0.038 12.818 1.00 0.00 H new ATOM 0 HA THR A 40 17.062 2.596 13.578 1.00 0.00 H new ATOM 0 HB THR A 40 19.336 1.443 13.816 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.260 -0.883 13.494 1.00 0.00 H new ATOM 0 HG21 THR A 40 18.581 -0.052 15.630 1.00 0.00 H new ATOM 0 HG22 THR A 40 17.714 1.502 15.656 1.00 0.00 H new ATOM 0 HG23 THR A 40 16.915 0.048 15.012 1.00 0.00 H new ATOM 404 N GLU A 41 17.972 1.769 10.577 1.00 0.00 N ATOM 405 CA GLU A 41 18.579 2.247 9.369 1.00 0.00 C ATOM 406 C GLU A 41 17.598 3.070 8.537 1.00 0.00 C ATOM 407 O GLU A 41 18.030 3.888 7.722 1.00 0.00 O ATOM 408 CB GLU A 41 19.052 1.045 8.575 1.00 0.00 C ATOM 409 CG GLU A 41 20.091 0.204 9.295 1.00 0.00 C ATOM 410 CD GLU A 41 20.695 -0.863 8.407 1.00 0.00 C ATOM 411 OE1 GLU A 41 21.670 -0.561 7.689 1.00 0.00 O ATOM 412 OE2 GLU A 41 20.199 -2.012 8.425 1.00 0.00 O ATOM 0 H GLU A 41 17.432 0.911 10.463 1.00 0.00 H new ATOM 0 HA GLU A 41 19.416 2.899 9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.193 0.418 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 41 19.469 1.388 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.884 0.853 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 41 19.632 -0.269 10.163 1.00 0.00 H new ATOM 419 N ASN A 42 16.288 2.873 8.771 1.00 0.00 N ATOM 420 CA ASN A 42 15.224 3.501 7.972 1.00 0.00 C ATOM 421 C ASN A 42 15.637 3.608 6.506 1.00 0.00 C ATOM 422 O ASN A 42 15.757 4.700 5.940 1.00 0.00 O ATOM 423 CB ASN A 42 14.780 4.869 8.544 1.00 0.00 C ATOM 424 CG ASN A 42 15.923 5.812 8.885 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.418 5.820 10.013 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.333 6.630 7.931 1.00 0.00 N ATOM 0 H ASN A 42 15.939 2.274 9.519 1.00 0.00 H new ATOM 0 HA ASN A 42 14.351 2.850 8.031 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.127 5.357 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.187 4.698 9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.083 7.296 8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.900 6.595 7.008 1.00 0.00 H new ATOM 433 N LEU A 43 15.851 2.442 5.901 1.00 0.00 N ATOM 434 CA LEU A 43 16.360 2.337 4.536 1.00 0.00 C ATOM 435 C LEU A 43 15.311 2.745 3.509 1.00 0.00 C ATOM 436 O LEU A 43 15.553 2.668 2.304 1.00 0.00 O ATOM 437 CB LEU A 43 16.817 0.903 4.259 1.00 0.00 C ATOM 438 CG LEU A 43 17.936 0.388 5.167 1.00 0.00 C ATOM 439 CD1 LEU A 43 18.167 -1.094 4.933 1.00 0.00 C ATOM 440 CD2 LEU A 43 19.223 1.164 4.928 1.00 0.00 C ATOM 0 H LEU A 43 15.676 1.541 6.345 1.00 0.00 H new ATOM 0 HA LEU A 43 17.204 3.020 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.958 0.240 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.153 0.839 3.224 1.00 0.00 H new ATOM 0 HG LEU A 43 17.631 0.537 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.966 -1.445 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.252 -1.644 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.450 -1.258 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 43 20.005 0.782 5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.531 1.047 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.056 2.220 5.140 1.00 0.00 H new ATOM 452 N ILE A 44 14.153 3.176 3.991 1.00 0.00 N ATOM 453 CA ILE A 44 13.061 3.606 3.125 1.00 0.00 C ATOM 454 C ILE A 44 13.522 4.718 2.177 1.00 0.00 C ATOM 455 O ILE A 44 13.000 4.869 1.072 1.00 0.00 O ATOM 456 CB ILE A 44 11.857 4.113 3.952 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.611 4.173 3.078 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.139 5.482 4.556 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.829 2.882 3.037 1.00 0.00 C ATOM 0 H ILE A 44 13.944 3.238 4.987 1.00 0.00 H new ATOM 0 HA ILE A 44 12.751 2.739 2.542 1.00 0.00 H new ATOM 0 HB ILE A 44 11.689 3.412 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.961 4.968 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.904 4.441 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.274 5.811 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.008 5.419 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.338 6.198 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.957 3.005 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.461 2.086 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.504 2.622 4.044 1.00 0.00 H new ATOM 471 N GLU A 45 14.527 5.476 2.610 1.00 0.00 N ATOM 472 CA GLU A 45 15.018 6.611 1.848 1.00 0.00 C ATOM 473 C GLU A 45 15.874 6.169 0.665 1.00 0.00 C ATOM 474 O GLU A 45 16.164 6.960 -0.226 1.00 0.00 O ATOM 475 CB GLU A 45 15.815 7.547 2.750 1.00 0.00 C ATOM 476 CG GLU A 45 14.980 8.201 3.836 1.00 0.00 C ATOM 477 CD GLU A 45 15.796 9.128 4.708 1.00 0.00 C ATOM 478 OE1 GLU A 45 16.299 10.147 4.188 1.00 0.00 O ATOM 479 OE2 GLU A 45 15.942 8.843 5.913 1.00 0.00 O ATOM 0 H GLU A 45 15.017 5.319 3.491 1.00 0.00 H new ATOM 0 HA GLU A 45 14.152 7.142 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.626 6.987 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.274 8.324 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.165 8.761 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.526 7.429 4.456 1.00 0.00 H new ATOM 486 N LYS A 46 16.268 4.903 0.654 1.00 0.00 N ATOM 487 CA LYS A 46 17.095 4.374 -0.424 1.00 0.00 C ATOM 488 C LYS A 46 16.239 3.910 -1.591 1.00 0.00 C ATOM 489 O LYS A 46 16.730 3.727 -2.703 1.00 0.00 O ATOM 490 CB LYS A 46 17.946 3.216 0.082 1.00 0.00 C ATOM 491 CG LYS A 46 19.031 3.660 1.042 1.00 0.00 C ATOM 492 CD LYS A 46 19.696 2.484 1.732 1.00 0.00 C ATOM 493 CE LYS A 46 20.387 1.573 0.737 1.00 0.00 C ATOM 494 NZ LYS A 46 21.080 0.438 1.401 1.00 0.00 N ATOM 0 H LYS A 46 16.030 4.224 1.377 1.00 0.00 H new ATOM 0 HA LYS A 46 17.747 5.176 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.303 2.489 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.404 2.709 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.782 4.234 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.602 4.325 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.423 2.850 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.949 1.917 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 46 19.652 1.185 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.110 2.150 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.538 -0.158 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.800 0.806 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.388 -0.129 1.931 1.00 0.00 H new ATOM 508 N VAL A 47 14.957 3.725 -1.327 1.00 0.00 N ATOM 509 CA VAL A 47 14.027 3.222 -2.324 1.00 0.00 C ATOM 510 C VAL A 47 12.782 4.116 -2.371 1.00 0.00 C ATOM 511 O VAL A 47 11.661 3.660 -2.600 1.00 0.00 O ATOM 512 CB VAL A 47 13.659 1.742 -2.038 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.901 1.594 -0.725 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.887 1.130 -3.199 1.00 0.00 C ATOM 0 H VAL A 47 14.533 3.918 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 47 14.504 3.251 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 47 14.593 1.189 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.661 0.544 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.520 1.958 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.979 2.174 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.644 0.093 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.967 1.691 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.497 1.167 -4.101 1.00 0.00 H new ATOM 524 N ARG A 48 12.999 5.407 -2.123 1.00 0.00 N ATOM 525 CA ARG A 48 11.907 6.370 -2.044 1.00 0.00 C ATOM 526 C ARG A 48 11.001 6.314 -3.261 1.00 0.00 C ATOM 527 O ARG A 48 11.413 6.570 -4.393 1.00 0.00 O ATOM 528 CB ARG A 48 12.429 7.787 -1.846 1.00 0.00 C ATOM 529 CG ARG A 48 12.969 8.017 -0.452 1.00 0.00 C ATOM 530 CD ARG A 48 13.237 9.489 -0.186 1.00 0.00 C ATOM 531 NE ARG A 48 14.182 10.053 -1.146 1.00 0.00 N ATOM 532 CZ ARG A 48 15.100 10.969 -0.843 1.00 0.00 C ATOM 533 NH1 ARG A 48 15.184 11.459 0.388 1.00 0.00 N ATOM 534 NH2 ARG A 48 15.930 11.403 -1.781 1.00 0.00 N ATOM 0 H ARG A 48 13.925 5.809 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 48 11.313 6.090 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.216 7.986 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.626 8.497 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.256 7.639 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.891 7.450 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.299 10.043 -0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.630 9.610 0.824 1.00 0.00 H new ATOM 0 HE ARG A 48 14.136 9.724 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.542 11.134 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.890 12.160 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.864 11.035 -2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.635 12.104 -1.554 1.00 0.00 H new ATOM 548 N GLY A 49 9.762 5.982 -2.984 1.00 0.00 N ATOM 549 CA GLY A 49 8.750 5.845 -4.004 1.00 0.00 C ATOM 550 C GLY A 49 7.396 5.697 -3.361 1.00 0.00 C ATOM 551 O GLY A 49 7.283 5.806 -2.146 1.00 0.00 O ATOM 0 H GLY A 49 9.426 5.798 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.759 6.717 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.964 4.977 -4.627 1.00 0.00 H new ATOM 555 N ILE A 50 6.365 5.458 -4.135 1.00 0.00 N ATOM 556 CA ILE A 50 5.045 5.323 -3.553 1.00 0.00 C ATOM 557 C ILE A 50 4.429 3.975 -3.876 1.00 0.00 C ATOM 558 O ILE A 50 4.325 3.580 -5.037 1.00 0.00 O ATOM 559 CB ILE A 50 4.128 6.474 -3.989 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.749 7.792 -3.517 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.724 6.294 -3.427 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.911 9.011 -3.789 1.00 0.00 C ATOM 0 H ILE A 50 6.407 5.354 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 50 5.156 5.378 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 50 4.036 6.482 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.936 7.727 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.717 7.917 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.094 7.122 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.304 5.356 -3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.768 6.275 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.428 9.897 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.745 9.106 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.952 8.914 -3.281 1.00 0.00 H new ATOM 574 N TYR A 51 4.040 3.273 -2.825 1.00 0.00 N ATOM 575 CA TYR A 51 3.497 1.935 -2.942 1.00 0.00 C ATOM 576 C TYR A 51 2.001 1.962 -2.676 1.00 0.00 C ATOM 577 O TYR A 51 1.570 2.185 -1.546 1.00 0.00 O ATOM 578 CB TYR A 51 4.181 0.994 -1.939 1.00 0.00 C ATOM 579 CG TYR A 51 5.683 0.880 -2.100 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.515 1.981 -1.925 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.269 -0.334 -2.417 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.882 1.873 -2.069 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.634 -0.451 -2.562 1.00 0.00 C ATOM 584 CZ TYR A 51 8.437 0.656 -2.389 1.00 0.00 C ATOM 585 OH TYR A 51 9.798 0.541 -2.534 1.00 0.00 O ATOM 0 H TYR A 51 4.093 3.617 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 51 3.680 1.569 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.963 1.341 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.743 0.001 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.082 2.938 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.645 -1.205 -2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.513 2.739 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.073 -1.406 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 51 10.163 0.019 -1.789 1.00 0.00 H new ATOM 595 N GLY A 52 1.214 1.755 -3.714 1.00 0.00 N ATOM 596 CA GLY A 52 -0.220 1.708 -3.546 1.00 0.00 C ATOM 597 C GLY A 52 -0.692 0.294 -3.302 1.00 0.00 C ATOM 598 O GLY A 52 -0.574 -0.565 -4.174 1.00 0.00 O ATOM 0 H GLY A 52 1.541 1.618 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.512 2.342 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.707 2.109 -4.435 1.00 0.00 H new ATOM 602 N PHE A 53 -1.198 0.038 -2.112 1.00 0.00 N ATOM 603 CA PHE A 53 -1.642 -1.299 -1.758 1.00 0.00 C ATOM 604 C PHE A 53 -3.142 -1.457 -1.937 1.00 0.00 C ATOM 605 O PHE A 53 -3.940 -0.855 -1.214 1.00 0.00 O ATOM 606 CB PHE A 53 -1.243 -1.643 -0.324 1.00 0.00 C ATOM 607 CG PHE A 53 0.050 -2.403 -0.224 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.238 -1.850 -0.677 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.074 -3.677 0.319 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.425 -2.553 -0.587 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.255 -4.385 0.412 1.00 0.00 C ATOM 612 CZ PHE A 53 2.433 -3.822 -0.041 1.00 0.00 C ATOM 0 H PHE A 53 -1.312 0.734 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.147 -1.994 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.158 -0.721 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.037 -2.233 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.236 -0.858 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.844 -4.122 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.344 -2.111 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.259 -5.377 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.359 -4.373 0.032 1.00 0.00 H new ATOM 622 N LYS A 54 -3.510 -2.265 -2.918 1.00 0.00 N ATOM 623 CA LYS A 54 -4.898 -2.613 -3.162 1.00 0.00 C ATOM 624 C LYS A 54 -5.228 -3.910 -2.443 1.00 0.00 C ATOM 625 O LYS A 54 -4.876 -4.994 -2.907 1.00 0.00 O ATOM 626 CB LYS A 54 -5.151 -2.763 -4.662 1.00 0.00 C ATOM 627 CG LYS A 54 -5.207 -1.446 -5.411 1.00 0.00 C ATOM 628 CD LYS A 54 -5.369 -1.674 -6.903 1.00 0.00 C ATOM 629 CE LYS A 54 -5.623 -0.374 -7.647 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.897 0.268 -7.224 1.00 0.00 N ATOM 0 H LYS A 54 -2.853 -2.698 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.539 -1.817 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.364 -3.382 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.091 -3.294 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.038 -0.847 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.296 -0.878 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.471 -2.150 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.197 -2.361 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.795 0.313 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.653 -0.569 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.190 0.963 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.635 -0.458 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.758 0.748 -6.312 1.00 0.00 H new ATOM 644 N VAL A 55 -5.886 -3.796 -1.305 1.00 0.00 N ATOM 645 CA VAL A 55 -6.170 -4.955 -0.477 1.00 0.00 C ATOM 646 C VAL A 55 -7.594 -5.441 -0.703 1.00 0.00 C ATOM 647 O VAL A 55 -8.545 -4.668 -0.610 1.00 0.00 O ATOM 648 CB VAL A 55 -5.967 -4.641 1.017 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.006 -5.915 1.843 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.656 -3.903 1.237 1.00 0.00 C ATOM 0 H VAL A 55 -6.234 -2.913 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.471 -5.739 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.783 -3.996 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.861 -5.671 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.972 -6.403 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.213 -6.587 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.532 -3.691 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.828 -4.522 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.667 -2.967 0.679 1.00 0.00 H new ATOM 660 N ARG A 56 -7.731 -6.722 -1.005 1.00 0.00 N ATOM 661 CA ARG A 56 -9.032 -7.304 -1.305 1.00 0.00 C ATOM 662 C ARG A 56 -9.373 -8.396 -0.294 1.00 0.00 C ATOM 663 O ARG A 56 -8.632 -8.603 0.666 1.00 0.00 O ATOM 664 CB ARG A 56 -9.026 -7.885 -2.719 1.00 0.00 C ATOM 665 CG ARG A 56 -8.321 -7.002 -3.737 1.00 0.00 C ATOM 666 CD ARG A 56 -8.468 -7.549 -5.144 1.00 0.00 C ATOM 667 NE ARG A 56 -9.823 -7.366 -5.660 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.547 -8.328 -6.226 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.104 -9.577 -6.244 1.00 0.00 N ATOM 670 NH2 ARG A 56 -11.736 -8.044 -6.741 1.00 0.00 N ATOM 0 H ARG A 56 -6.955 -7.382 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.789 -6.522 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.541 -8.861 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.055 -8.046 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.733 -5.994 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.264 -6.926 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.758 -7.050 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.217 -8.610 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.241 -6.439 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.204 -9.805 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.664 -10.310 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.094 -7.090 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.293 -8.780 -7.175 1.00 0.00 H new ATOM 684 N ASN A 57 -10.486 -9.094 -0.528 1.00 0.00 N ATOM 685 CA ASN A 57 -10.937 -10.188 0.344 1.00 0.00 C ATOM 686 C ASN A 57 -11.228 -9.685 1.754 1.00 0.00 C ATOM 687 O ASN A 57 -10.904 -10.350 2.741 1.00 0.00 O ATOM 688 CB ASN A 57 -9.897 -11.317 0.413 1.00 0.00 C ATOM 689 CG ASN A 57 -9.744 -12.088 -0.887 1.00 0.00 C ATOM 690 OD1 ASN A 57 -9.946 -11.556 -1.979 1.00 0.00 O ATOM 691 ND2 ASN A 57 -9.370 -13.355 -0.779 1.00 0.00 N ATOM 0 H ASN A 57 -11.100 -8.920 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.855 -10.581 -0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.932 -10.893 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.179 -12.011 1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.241 -13.922 -1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.211 -13.763 0.142 1.00 0.00 H new ATOM 698 N GLY A 58 -11.831 -8.507 1.847 1.00 0.00 N ATOM 699 CA GLY A 58 -12.155 -7.943 3.141 1.00 0.00 C ATOM 700 C GLY A 58 -13.403 -8.551 3.761 1.00 0.00 C ATOM 701 O GLY A 58 -13.873 -9.598 3.311 1.00 0.00 O ATOM 0 H GLY A 58 -12.101 -7.932 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.312 -8.091 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.295 -6.867 3.037 1.00 0.00 H new ATOM 705 N PRO A 59 -13.963 -7.883 4.792 1.00 0.00 N ATOM 706 CA PRO A 59 -15.130 -8.357 5.552 1.00 0.00 C ATOM 707 C PRO A 59 -16.203 -9.028 4.693 1.00 0.00 C ATOM 708 O PRO A 59 -16.524 -10.199 4.884 1.00 0.00 O ATOM 709 CB PRO A 59 -15.682 -7.072 6.157 1.00 0.00 C ATOM 710 CG PRO A 59 -14.511 -6.161 6.309 1.00 0.00 C ATOM 711 CD PRO A 59 -13.467 -6.598 5.315 1.00 0.00 C ATOM 0 HA PRO A 59 -14.844 -9.124 6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.441 -6.630 5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.156 -7.265 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.804 -5.127 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.117 -6.208 7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.349 -5.865 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.492 -6.713 5.789 1.00 0.00 H new ATOM 719 N ASN A 60 -16.748 -8.280 3.746 1.00 0.00 N ATOM 720 CA ASN A 60 -17.758 -8.809 2.838 1.00 0.00 C ATOM 721 C ASN A 60 -17.181 -8.945 1.436 1.00 0.00 C ATOM 722 O ASN A 60 -17.840 -8.632 0.445 1.00 0.00 O ATOM 723 CB ASN A 60 -18.999 -7.900 2.817 1.00 0.00 C ATOM 724 CG ASN A 60 -18.680 -6.452 2.478 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.621 -6.069 1.310 1.00 0.00 O ATOM 726 ND2 ASN A 60 -18.495 -5.630 3.501 1.00 0.00 N ATOM 0 H ASN A 60 -16.508 -7.302 3.585 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.060 -9.794 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.712 -8.287 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.485 -7.939 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.296 -4.644 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.552 -5.984 4.456 1.00 0.00 H new ATOM 733 N GLY A 61 -15.947 -9.424 1.358 1.00 0.00 N ATOM 734 CA GLY A 61 -15.232 -9.412 0.098 1.00 0.00 C ATOM 735 C GLY A 61 -14.868 -7.996 -0.278 1.00 0.00 C ATOM 736 O GLY A 61 -14.676 -7.672 -1.447 1.00 0.00 O ATOM 0 H GLY A 61 -15.429 -9.820 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.330 -10.019 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.848 -9.857 -0.683 1.00 0.00 H new ATOM 740 N ALA A 62 -14.785 -7.155 0.744 1.00 0.00 N ATOM 741 CA ALA A 62 -14.549 -5.735 0.569 1.00 0.00 C ATOM 742 C ALA A 62 -13.118 -5.457 0.173 1.00 0.00 C ATOM 743 O ALA A 62 -12.230 -6.292 0.343 1.00 0.00 O ATOM 744 CB ALA A 62 -14.904 -4.992 1.848 1.00 0.00 C ATOM 0 H ALA A 62 -14.880 -7.442 1.718 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.187 -5.380 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.725 -3.926 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.955 -5.156 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.286 -5.361 2.667 1.00 0.00 H new ATOM 750 N GLU A 63 -12.911 -4.276 -0.354 1.00 0.00 N ATOM 751 CA GLU A 63 -11.618 -3.857 -0.827 1.00 0.00 C ATOM 752 C GLU A 63 -11.197 -2.557 -0.169 1.00 0.00 C ATOM 753 O GLU A 63 -12.015 -1.660 0.051 1.00 0.00 O ATOM 754 CB GLU A 63 -11.662 -3.698 -2.339 1.00 0.00 C ATOM 755 CG GLU A 63 -11.546 -5.012 -3.081 1.00 0.00 C ATOM 756 CD GLU A 63 -11.789 -4.861 -4.566 1.00 0.00 C ATOM 757 OE1 GLU A 63 -12.955 -4.671 -4.964 1.00 0.00 O ATOM 758 OE2 GLU A 63 -10.815 -4.930 -5.343 1.00 0.00 O ATOM 0 H GLU A 63 -13.642 -3.574 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.882 -4.617 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.596 -3.211 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.852 -3.039 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.553 -5.431 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.262 -5.723 -2.669 1.00 0.00 H new ATOM 765 N GLY A 64 -9.926 -2.480 0.152 1.00 0.00 N ATOM 766 CA GLY A 64 -9.374 -1.295 0.766 1.00 0.00 C ATOM 767 C GLY A 64 -8.159 -0.814 0.013 1.00 0.00 C ATOM 768 O GLY A 64 -7.589 -1.563 -0.786 1.00 0.00 O ATOM 0 H GLY A 64 -9.251 -3.229 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.128 -0.508 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.105 -1.509 1.800 1.00 0.00 H new ATOM 772 N TYR A 65 -7.754 0.420 0.246 1.00 0.00 N ATOM 773 CA TYR A 65 -6.621 0.976 -0.471 1.00 0.00 C ATOM 774 C TYR A 65 -5.785 1.877 0.426 1.00 0.00 C ATOM 775 O TYR A 65 -6.276 2.873 0.957 1.00 0.00 O ATOM 776 CB TYR A 65 -7.104 1.754 -1.692 1.00 0.00 C ATOM 777 CG TYR A 65 -5.976 2.267 -2.548 1.00 0.00 C ATOM 778 CD1 TYR A 65 -5.098 1.383 -3.156 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.777 3.625 -2.734 1.00 0.00 C ATOM 780 CE1 TYR A 65 -4.053 1.839 -3.928 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.733 4.091 -3.506 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.873 3.193 -4.100 1.00 0.00 C ATOM 783 OH TYR A 65 -2.835 3.649 -4.871 1.00 0.00 O ATOM 0 H TYR A 65 -8.187 1.052 0.919 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.991 0.149 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.746 1.112 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.714 2.595 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.236 0.320 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.449 4.330 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.378 1.138 -4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.591 5.153 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.849 4.629 -4.892 1.00 0.00 H new ATOM 793 N TRP A 66 -4.516 1.530 0.577 1.00 0.00 N ATOM 794 CA TRP A 66 -3.603 2.311 1.399 1.00 0.00 C ATOM 795 C TRP A 66 -2.374 2.691 0.590 1.00 0.00 C ATOM 796 O TRP A 66 -1.806 1.868 -0.127 1.00 0.00 O ATOM 797 CB TRP A 66 -3.173 1.555 2.667 1.00 0.00 C ATOM 798 CG TRP A 66 -4.272 1.350 3.669 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.501 2.093 4.790 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.278 0.330 3.655 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.589 1.604 5.469 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.083 0.521 4.793 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.579 -0.724 2.789 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.165 -0.303 5.086 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.652 -1.539 3.082 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.435 -1.324 4.221 1.00 0.00 C ATOM 0 H TRP A 66 -4.094 0.711 0.140 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.135 3.209 1.713 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.775 0.582 2.378 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.360 2.103 3.144 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.911 2.943 5.099 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.968 1.985 6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.982 -0.897 1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.770 -0.141 5.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.892 -2.358 2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.270 -1.979 4.420 1.00 0.00 H new ATOM 817 N VAL A 67 -1.989 3.946 0.694 1.00 0.00 N ATOM 818 CA VAL A 67 -0.816 4.453 0.009 1.00 0.00 C ATOM 819 C VAL A 67 0.364 4.521 0.966 1.00 0.00 C ATOM 820 O VAL A 67 0.341 5.278 1.937 1.00 0.00 O ATOM 821 CB VAL A 67 -1.082 5.856 -0.579 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.213 6.526 -1.001 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.041 5.776 -1.754 1.00 0.00 C ATOM 0 H VAL A 67 -2.479 4.643 1.255 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.583 3.769 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.541 6.461 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.004 7.512 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.868 6.629 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.707 5.918 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.213 6.776 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.611 5.145 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.988 5.349 -1.423 1.00 0.00 H new ATOM 833 N ILE A 68 1.379 3.717 0.708 1.00 0.00 N ATOM 834 CA ILE A 68 2.599 3.774 1.488 1.00 0.00 C ATOM 835 C ILE A 68 3.558 4.768 0.844 1.00 0.00 C ATOM 836 O ILE A 68 4.207 4.474 -0.164 1.00 0.00 O ATOM 837 CB ILE A 68 3.285 2.392 1.637 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.383 1.401 2.386 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.617 2.530 2.361 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.292 0.786 1.538 1.00 0.00 C ATOM 0 H ILE A 68 1.382 3.018 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 68 2.332 4.098 2.494 1.00 0.00 H new ATOM 0 HB ILE A 68 3.464 2.003 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.002 0.603 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.924 1.914 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.083 1.549 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.273 3.190 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.450 2.950 3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.703 0.099 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.646 1.573 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.740 0.242 0.707 1.00 0.00 H new ATOM 852 N ASN A 69 3.609 5.960 1.417 1.00 0.00 N ATOM 853 CA ASN A 69 4.423 7.033 0.879 1.00 0.00 C ATOM 854 C ASN A 69 5.853 6.910 1.381 1.00 0.00 C ATOM 855 O ASN A 69 6.185 7.347 2.485 1.00 0.00 O ATOM 856 CB ASN A 69 3.827 8.388 1.285 1.00 0.00 C ATOM 857 CG ASN A 69 4.522 9.584 0.651 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.713 9.546 0.325 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.776 10.664 0.476 1.00 0.00 N ATOM 0 H ASN A 69 3.092 6.208 2.260 1.00 0.00 H new ATOM 0 HA ASN A 69 4.433 6.963 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.772 8.406 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.876 8.485 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.182 11.502 0.059 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.796 10.658 0.758 1.00 0.00 H new ATOM 866 N ALA A 70 6.697 6.316 0.559 1.00 0.00 N ATOM 867 CA ALA A 70 8.114 6.219 0.848 1.00 0.00 C ATOM 868 C ALA A 70 8.845 7.366 0.163 1.00 0.00 C ATOM 869 O ALA A 70 10.005 7.641 0.448 1.00 0.00 O ATOM 870 CB ALA A 70 8.652 4.880 0.379 1.00 0.00 C ATOM 0 H ALA A 70 6.420 5.889 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 70 8.275 6.289 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.717 4.818 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.126 4.076 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.499 4.783 -0.696 1.00 0.00 H new ATOM 876 N LYS A 71 8.125 8.042 -0.732 1.00 0.00 N ATOM 877 CA LYS A 71 8.662 9.143 -1.524 1.00 0.00 C ATOM 878 C LYS A 71 9.196 10.258 -0.631 1.00 0.00 C ATOM 879 O LYS A 71 10.255 10.824 -0.896 1.00 0.00 O ATOM 880 CB LYS A 71 7.558 9.663 -2.456 1.00 0.00 C ATOM 881 CG LYS A 71 7.902 10.928 -3.233 1.00 0.00 C ATOM 882 CD LYS A 71 7.229 12.165 -2.645 1.00 0.00 C ATOM 883 CE LYS A 71 5.708 12.064 -2.705 1.00 0.00 C ATOM 884 NZ LYS A 71 5.036 13.284 -2.180 1.00 0.00 N ATOM 0 H LYS A 71 7.145 7.838 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 71 9.502 8.784 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.306 8.877 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.664 9.853 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.983 11.070 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.596 10.809 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.544 12.293 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.556 13.051 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.398 11.898 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.381 11.197 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.084 13.360 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.961 13.221 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.592 14.124 -2.436 1.00 0.00 H new ATOM 898 N GLU A 72 8.470 10.553 0.436 1.00 0.00 N ATOM 899 CA GLU A 72 8.859 11.612 1.358 1.00 0.00 C ATOM 900 C GLU A 72 9.714 11.069 2.496 1.00 0.00 C ATOM 901 O GLU A 72 9.949 11.743 3.497 1.00 0.00 O ATOM 902 CB GLU A 72 7.615 12.308 1.891 1.00 0.00 C ATOM 903 CG GLU A 72 6.868 13.054 0.808 1.00 0.00 C ATOM 904 CD GLU A 72 5.587 13.696 1.289 1.00 0.00 C ATOM 905 OE1 GLU A 72 5.639 14.516 2.228 1.00 0.00 O ATOM 906 OE2 GLU A 72 4.523 13.393 0.708 1.00 0.00 O ATOM 0 H GLU A 72 7.605 10.073 0.687 1.00 0.00 H new ATOM 0 HA GLU A 72 9.467 12.339 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.953 11.569 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.900 13.005 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.518 13.825 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.636 12.364 -0.003 1.00 0.00 H new ATOM 913 N GLY A 73 10.161 9.835 2.331 1.00 0.00 N ATOM 914 CA GLY A 73 11.094 9.237 3.272 1.00 0.00 C ATOM 915 C GLY A 73 10.442 8.791 4.564 1.00 0.00 C ATOM 916 O GLY A 73 11.128 8.458 5.527 1.00 0.00 O ATOM 0 H GLY A 73 9.894 9.229 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.574 8.379 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.880 9.957 3.500 1.00 0.00 H new ATOM 920 N LYS A 74 9.120 8.782 4.591 1.00 0.00 N ATOM 921 CA LYS A 74 8.395 8.382 5.788 1.00 0.00 C ATOM 922 C LYS A 74 8.087 6.890 5.772 1.00 0.00 C ATOM 923 O LYS A 74 8.271 6.201 6.776 1.00 0.00 O ATOM 924 CB LYS A 74 7.099 9.186 5.930 1.00 0.00 C ATOM 925 CG LYS A 74 7.323 10.671 6.194 1.00 0.00 C ATOM 926 CD LYS A 74 8.087 10.914 7.492 1.00 0.00 C ATOM 927 CE LYS A 74 7.312 10.420 8.705 1.00 0.00 C ATOM 928 NZ LYS A 74 8.087 10.576 9.963 1.00 0.00 N ATOM 0 H LYS A 74 8.528 9.045 3.803 1.00 0.00 H new ATOM 0 HA LYS A 74 9.033 8.590 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.510 9.073 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.509 8.766 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.875 11.108 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.360 11.180 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.051 10.408 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.291 11.979 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.375 10.971 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.053 9.370 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.730 9.908 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.092 10.381 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.982 11.548 10.317 1.00 0.00 H new ATOM 942 N GLY A 75 7.621 6.395 4.631 1.00 0.00 N ATOM 943 CA GLY A 75 7.235 5.002 4.535 1.00 0.00 C ATOM 944 C GLY A 75 5.950 4.741 5.289 1.00 0.00 C ATOM 945 O GLY A 75 5.752 3.670 5.861 1.00 0.00 O ATOM 0 H GLY A 75 7.504 6.933 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.108 4.728 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.030 4.373 4.935 1.00 0.00 H new ATOM 949 N LYS A 76 5.076 5.737 5.283 1.00 0.00 N ATOM 950 CA LYS A 76 3.835 5.679 6.036 1.00 0.00 C ATOM 951 C LYS A 76 2.693 5.271 5.122 1.00 0.00 C ATOM 952 O LYS A 76 2.751 5.499 3.917 1.00 0.00 O ATOM 953 CB LYS A 76 3.526 7.049 6.639 1.00 0.00 C ATOM 954 CG LYS A 76 3.119 8.084 5.600 1.00 0.00 C ATOM 955 CD LYS A 76 2.778 9.427 6.225 1.00 0.00 C ATOM 956 CE LYS A 76 1.717 9.298 7.307 1.00 0.00 C ATOM 957 NZ LYS A 76 1.417 10.605 7.949 1.00 0.00 N ATOM 0 H LYS A 76 5.207 6.602 4.759 1.00 0.00 H new ATOM 0 HA LYS A 76 3.945 4.945 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.725 6.944 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.404 7.409 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.930 8.215 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.258 7.716 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.679 9.868 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.425 10.108 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.805 8.889 6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.055 8.591 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.689 10.474 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.282 10.984 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.070 11.273 7.231 1.00 0.00 H new ATOM 971 N VAL A 77 1.652 4.684 5.686 1.00 0.00 N ATOM 972 CA VAL A 77 0.506 4.287 4.889 1.00 0.00 C ATOM 973 C VAL A 77 -0.670 5.214 5.181 1.00 0.00 C ATOM 974 O VAL A 77 -0.902 5.603 6.329 1.00 0.00 O ATOM 975 CB VAL A 77 0.110 2.800 5.121 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.300 1.993 5.622 1.00 0.00 C ATOM 977 CG2 VAL A 77 -1.061 2.661 6.082 1.00 0.00 C ATOM 0 H VAL A 77 1.577 4.474 6.681 1.00 0.00 H new ATOM 0 HA VAL A 77 0.784 4.375 3.839 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.206 2.403 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.998 0.957 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.102 2.031 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.653 2.412 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.301 1.606 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.794 3.095 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.928 3.183 5.677 1.00 0.00 H new ATOM 987 N THR A 78 -1.369 5.614 4.134 1.00 0.00 N ATOM 988 CA THR A 78 -2.537 6.465 4.273 1.00 0.00 C ATOM 989 C THR A 78 -3.626 6.026 3.296 1.00 0.00 C ATOM 990 O THR A 78 -3.348 5.752 2.128 1.00 0.00 O ATOM 991 CB THR A 78 -2.169 7.955 4.062 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.351 8.766 4.047 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.379 8.163 2.773 1.00 0.00 C ATOM 0 H THR A 78 -1.146 5.361 3.171 1.00 0.00 H new ATOM 0 HA THR A 78 -2.920 6.362 5.288 1.00 0.00 H new ATOM 0 HB THR A 78 -1.537 8.257 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.102 9.705 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.139 9.220 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.456 7.584 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.976 7.833 1.923 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.857 5.931 3.785 1.00 0.00 N ATOM 1002 CA TYR A 79 -5.967 5.428 2.982 1.00 0.00 C ATOM 1003 C TYR A 79 -6.282 6.387 1.838 1.00 0.00 C ATOM 1004 O TYR A 79 -6.688 7.527 2.072 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.210 5.220 3.854 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.281 4.369 3.202 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -9.195 4.920 2.310 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -8.373 3.013 3.479 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -10.168 4.139 1.714 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -9.343 2.227 2.888 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.238 2.794 2.008 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.204 2.009 1.418 1.00 0.00 O ATOM 0 H TYR A 79 -5.113 6.196 4.736 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.672 4.468 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.910 4.753 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.634 6.193 4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.144 5.974 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.674 2.564 4.169 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.870 4.580 1.022 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.399 1.173 3.115 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.424 2.370 0.534 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.099 5.900 0.610 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.278 6.709 -0.597 1.00 0.00 C ATOM 1024 C ASN A 80 -5.485 8.008 -0.482 1.00 0.00 C ATOM 1025 O ASN A 80 -6.051 9.098 -0.383 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.761 7.004 -0.848 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.003 7.641 -2.205 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.289 7.370 -3.171 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.008 8.497 -2.285 1.00 0.00 N ATOM 0 H ASN A 80 -5.823 4.936 0.424 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.901 6.141 -1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.330 6.077 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.134 7.666 -0.067 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.215 8.959 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.576 8.695 -1.461 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.166 7.866 -0.502 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.271 8.978 -0.239 1.00 0.00 C ATOM 1038 C GLY A 81 -3.478 10.165 -1.159 1.00 0.00 C ATOM 1039 O GLY A 81 -3.313 11.312 -0.748 1.00 0.00 O ATOM 0 H GLY A 81 -3.693 6.984 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.405 9.303 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.241 8.633 -0.333 1.00 0.00 H new ATOM 1043 N GLY A 82 -3.829 9.894 -2.405 1.00 0.00 N ATOM 1044 CA GLY A 82 -3.968 10.956 -3.382 1.00 0.00 C ATOM 1045 C GLY A 82 -2.702 11.115 -4.187 1.00 0.00 C ATOM 1046 O GLY A 82 -2.690 11.730 -5.255 1.00 0.00 O ATOM 0 H GLY A 82 -4.021 8.957 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.802 10.736 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.202 11.893 -2.876 1.00 0.00 H new ATOM 1050 N GLU A 83 -1.631 10.551 -3.658 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.354 10.524 -4.339 1.00 0.00 C ATOM 1052 C GLU A 83 -0.399 9.480 -5.446 1.00 0.00 C ATOM 1053 O GLU A 83 -1.183 8.532 -5.376 1.00 0.00 O ATOM 1054 CB GLU A 83 0.760 10.177 -3.353 1.00 0.00 C ATOM 1055 CG GLU A 83 0.823 11.087 -2.137 1.00 0.00 C ATOM 1056 CD GLU A 83 1.229 12.504 -2.485 1.00 0.00 C ATOM 1057 OE1 GLU A 83 2.442 12.758 -2.655 1.00 0.00 O ATOM 1058 OE2 GLU A 83 0.346 13.376 -2.581 1.00 0.00 O ATOM 0 H GLU A 83 -1.625 10.099 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.153 11.507 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.625 9.149 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.717 10.219 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.152 11.103 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.532 10.677 -1.418 1.00 0.00 H new ATOM 1065 N LYS A 84 0.433 9.654 -6.458 1.00 0.00 N ATOM 1066 CA LYS A 84 0.500 8.710 -7.558 1.00 0.00 C ATOM 1067 C LYS A 84 1.542 7.640 -7.269 1.00 0.00 C ATOM 1068 O LYS A 84 2.745 7.915 -7.265 1.00 0.00 O ATOM 1069 CB LYS A 84 0.821 9.434 -8.859 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.210 10.485 -9.214 1.00 0.00 C ATOM 1071 CD LYS A 84 0.035 11.064 -10.589 1.00 0.00 C ATOM 1072 CE LYS A 84 -0.957 12.162 -10.909 1.00 0.00 C ATOM 1073 NZ LYS A 84 -2.366 11.705 -10.768 1.00 0.00 N ATOM 0 H LYS A 84 1.073 10.444 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.471 8.227 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.800 9.905 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.886 8.707 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.207 10.045 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.186 11.284 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.049 11.460 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.040 10.275 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.784 13.010 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.791 12.514 -11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.004 12.412 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.487 10.796 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.594 11.587 -9.760 1.00 0.00 H new ATOM 1087 N PRO A 85 1.089 6.410 -6.996 1.00 0.00 N ATOM 1088 CA PRO A 85 1.971 5.294 -6.671 1.00 0.00 C ATOM 1089 C PRO A 85 2.859 4.884 -7.835 1.00 0.00 C ATOM 1090 O PRO A 85 2.384 4.608 -8.940 1.00 0.00 O ATOM 1091 CB PRO A 85 1.018 4.153 -6.310 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.306 4.794 -6.090 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.325 6.017 -6.958 1.00 0.00 C ATOM 0 HA PRO A 85 2.658 5.562 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.968 3.415 -7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.354 3.630 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.117 4.115 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.442 5.058 -5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.712 5.800 -7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.952 6.803 -6.537 1.00 0.00 H new ATOM 1101 N ASP A 86 4.158 4.857 -7.570 1.00 0.00 N ATOM 1102 CA ASP A 86 5.136 4.371 -8.531 1.00 0.00 C ATOM 1103 C ASP A 86 4.923 2.883 -8.774 1.00 0.00 C ATOM 1104 O ASP A 86 5.123 2.390 -9.880 1.00 0.00 O ATOM 1105 CB ASP A 86 6.559 4.620 -8.023 1.00 0.00 C ATOM 1106 CG ASP A 86 6.887 6.092 -7.895 1.00 0.00 C ATOM 1107 OD1 ASP A 86 7.309 6.703 -8.899 1.00 0.00 O ATOM 1108 OD2 ASP A 86 6.719 6.646 -6.786 1.00 0.00 O ATOM 0 H ASP A 86 4.561 5.170 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 86 5.004 4.912 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.683 4.139 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.270 4.152 -8.704 1.00 0.00 H new ATOM 1113 N VAL A 87 4.514 2.176 -7.725 1.00 0.00 N ATOM 1114 CA VAL A 87 4.170 0.762 -7.828 1.00 0.00 C ATOM 1115 C VAL A 87 2.879 0.471 -7.075 1.00 0.00 C ATOM 1116 O VAL A 87 2.647 1.005 -5.990 1.00 0.00 O ATOM 1117 CB VAL A 87 5.284 -0.171 -7.287 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.434 -0.300 -8.267 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.797 0.301 -5.940 1.00 0.00 C ATOM 0 H VAL A 87 4.412 2.563 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 87 4.046 0.557 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 87 4.834 -1.156 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.194 -0.962 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.067 -0.714 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.869 0.683 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.577 -0.376 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.206 1.306 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.977 0.312 -5.222 1.00 0.00 H new ATOM 1129 N THR A 88 2.033 -0.357 -7.664 1.00 0.00 N ATOM 1130 CA THR A 88 0.805 -0.785 -7.015 1.00 0.00 C ATOM 1131 C THR A 88 0.829 -2.299 -6.821 1.00 0.00 C ATOM 1132 O THR A 88 1.231 -3.035 -7.723 1.00 0.00 O ATOM 1133 CB THR A 88 -0.436 -0.389 -7.844 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.351 0.995 -8.214 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.722 -0.618 -7.059 1.00 0.00 C ATOM 0 H THR A 88 2.175 -0.748 -8.595 1.00 0.00 H new ATOM 0 HA THR A 88 0.741 -0.287 -6.048 1.00 0.00 H new ATOM 0 HB THR A 88 -0.457 -1.015 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.139 1.242 -8.741 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.577 -0.330 -7.670 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.804 -1.672 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.706 -0.016 -6.150 1.00 0.00 H new ATOM 1143 N PHE A 89 0.430 -2.753 -5.640 1.00 0.00 N ATOM 1144 CA PHE A 89 0.382 -4.179 -5.342 1.00 0.00 C ATOM 1145 C PHE A 89 -1.029 -4.569 -4.929 1.00 0.00 C ATOM 1146 O PHE A 89 -1.597 -3.974 -4.014 1.00 0.00 O ATOM 1147 CB PHE A 89 1.358 -4.546 -4.216 1.00 0.00 C ATOM 1148 CG PHE A 89 2.792 -4.183 -4.486 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.260 -2.908 -4.215 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.675 -5.119 -5.001 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.577 -2.575 -4.453 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.994 -4.789 -5.243 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.446 -3.515 -4.967 1.00 0.00 C ATOM 0 H PHE A 89 0.134 -2.152 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 89 0.673 -4.721 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.038 -4.050 -3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.297 -5.619 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.586 -2.166 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.327 -6.119 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.928 -1.577 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.671 -5.527 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.477 -3.254 -5.153 1.00 0.00 H new ATOM 1163 N THR A 90 -1.596 -5.548 -5.610 1.00 0.00 N ATOM 1164 CA THR A 90 -2.920 -6.039 -5.268 1.00 0.00 C ATOM 1165 C THR A 90 -2.803 -7.351 -4.490 1.00 0.00 C ATOM 1166 O THR A 90 -2.334 -8.358 -5.019 1.00 0.00 O ATOM 1167 CB THR A 90 -3.775 -6.240 -6.533 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.795 -5.029 -7.304 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.199 -6.633 -6.185 1.00 0.00 C ATOM 0 H THR A 90 -1.161 -6.019 -6.403 1.00 0.00 H new ATOM 0 HA THR A 90 -3.414 -5.296 -4.642 1.00 0.00 H new ATOM 0 HB THR A 90 -3.327 -7.047 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.339 -5.162 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.774 -6.767 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.192 -7.566 -5.622 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.656 -5.849 -5.581 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.213 -7.312 -3.226 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.069 -8.436 -2.309 1.00 0.00 C ATOM 1179 C ILE A 91 -4.342 -8.589 -1.486 1.00 0.00 C ATOM 1180 O ILE A 91 -5.024 -7.612 -1.196 1.00 0.00 O ATOM 1181 CB ILE A 91 -1.877 -8.198 -1.349 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.556 -8.152 -2.115 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -1.823 -9.273 -0.280 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.574 -7.523 -1.332 1.00 0.00 C ATOM 0 H ILE A 91 -3.657 -6.495 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.888 -9.340 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.029 -7.233 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.272 -9.166 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.701 -7.594 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.978 -9.085 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.747 -9.258 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.705 -10.249 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.481 -7.524 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.311 -6.497 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.746 -8.094 -0.419 1.00 0.00 H new ATOM 1196 N SER A 92 -4.662 -9.815 -1.126 1.00 0.00 N ATOM 1197 CA SER A 92 -5.811 -10.087 -0.285 1.00 0.00 C ATOM 1198 C SER A 92 -5.437 -9.946 1.192 1.00 0.00 C ATOM 1199 O SER A 92 -4.362 -10.372 1.620 1.00 0.00 O ATOM 1200 CB SER A 92 -6.319 -11.495 -0.572 1.00 0.00 C ATOM 1201 OG SER A 92 -6.509 -11.686 -1.965 1.00 0.00 O ATOM 0 H SER A 92 -4.139 -10.645 -1.405 1.00 0.00 H new ATOM 0 HA SER A 92 -6.599 -9.366 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.607 -12.228 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.259 -11.662 -0.046 1.00 0.00 H new ATOM 0 HG SER A 92 -7.424 -11.433 -2.208 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.363 -9.343 1.943 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.217 -9.056 3.379 1.00 0.00 C ATOM 1209 C ASP A 93 -5.704 -10.255 4.161 1.00 0.00 C ATOM 1210 O ASP A 93 -4.945 -10.116 5.118 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.587 -8.651 3.935 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.572 -8.374 5.425 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.239 -7.241 5.818 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -7.919 -9.285 6.207 1.00 0.00 O ATOM 0 H ASP A 93 -7.257 -9.032 1.563 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.487 -8.254 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.935 -7.761 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.305 -9.445 3.727 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.117 -11.425 3.720 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.839 -12.665 4.419 1.00 0.00 C ATOM 1221 C GLU A 94 -4.363 -13.037 4.312 1.00 0.00 C ATOM 1222 O GLU A 94 -3.751 -13.476 5.284 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.702 -13.778 3.823 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.107 -13.320 3.454 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.936 -14.425 2.843 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.732 -14.733 1.649 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.788 -14.995 3.552 1.00 0.00 O ATOM 0 H GLU A 94 -6.657 -11.544 2.863 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.076 -12.534 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.211 -14.172 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.771 -14.597 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.609 -12.945 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.042 -12.489 2.752 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.801 -12.856 3.125 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.421 -13.252 2.855 1.00 0.00 C ATOM 1236 C ASP A 95 -1.449 -12.115 3.128 1.00 0.00 C ATOM 1237 O ASP A 95 -0.248 -12.344 3.284 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.272 -13.734 1.413 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.005 -15.036 1.167 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.232 -14.993 0.920 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.359 -16.105 1.212 1.00 0.00 O ATOM 0 H ASP A 95 -4.280 -12.436 2.329 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.179 -14.072 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.654 -12.970 0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.215 -13.865 1.183 1.00 0.00 H new ATOM 1246 N VAL A 96 -1.967 -10.889 3.180 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.138 -9.710 3.431 1.00 0.00 C ATOM 1248 C VAL A 96 -0.345 -9.891 4.722 1.00 0.00 C ATOM 1249 O VAL A 96 0.775 -9.408 4.851 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.994 -8.418 3.537 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.263 -8.048 4.989 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.344 -7.248 2.813 1.00 0.00 C ATOM 0 H VAL A 96 -2.958 -10.685 3.052 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.458 -9.604 2.586 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.946 -8.632 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.864 -7.140 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.801 -8.860 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.317 -7.879 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.974 -6.364 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.366 -7.047 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.225 -7.494 1.758 1.00 0.00 H new ATOM 1262 N VAL A 97 -0.937 -10.618 5.660 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.374 -10.770 6.986 1.00 0.00 C ATOM 1264 C VAL A 97 0.926 -11.561 6.940 1.00 0.00 C ATOM 1265 O VAL A 97 1.867 -11.271 7.678 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.387 -11.446 7.940 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.718 -10.715 7.880 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.583 -12.916 7.599 1.00 0.00 C ATOM 0 H VAL A 97 -1.817 -11.115 5.520 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.152 -9.774 7.371 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.985 -11.391 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.428 -11.195 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.577 -9.677 8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.105 -10.748 6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.301 -13.357 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.958 -13.006 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.630 -13.439 7.683 1.00 0.00 H new ATOM 1278 N ASP A 98 0.992 -12.533 6.040 1.00 0.00 N ATOM 1279 CA ASP A 98 2.183 -13.335 5.887 1.00 0.00 C ATOM 1280 C ASP A 98 3.222 -12.538 5.126 1.00 0.00 C ATOM 1281 O ASP A 98 4.414 -12.650 5.381 1.00 0.00 O ATOM 1282 CB ASP A 98 1.885 -14.640 5.141 1.00 0.00 C ATOM 1283 CG ASP A 98 0.803 -15.476 5.788 1.00 0.00 C ATOM 1284 OD1 ASP A 98 1.070 -16.089 6.843 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.313 -15.542 5.233 1.00 0.00 O ATOM 0 H ASP A 98 0.231 -12.780 5.408 1.00 0.00 H new ATOM 0 HA ASP A 98 2.557 -13.593 6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.588 -14.404 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.800 -15.230 5.079 1.00 0.00 H new ATOM 1290 N LEU A 99 2.752 -11.710 4.206 1.00 0.00 N ATOM 1291 CA LEU A 99 3.639 -10.880 3.398 1.00 0.00 C ATOM 1292 C LEU A 99 4.288 -9.805 4.257 1.00 0.00 C ATOM 1293 O LEU A 99 5.504 -9.613 4.225 1.00 0.00 O ATOM 1294 CB LEU A 99 2.864 -10.236 2.245 1.00 0.00 C ATOM 1295 CG LEU A 99 2.389 -11.205 1.159 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.471 -10.498 0.176 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.579 -11.809 0.430 1.00 0.00 C ATOM 0 H LEU A 99 1.760 -11.593 3.998 1.00 0.00 H new ATOM 0 HA LEU A 99 4.421 -11.515 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.996 -9.721 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.496 -9.478 1.782 1.00 0.00 H new ATOM 0 HG LEU A 99 1.829 -12.009 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.144 -11.203 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.602 -10.108 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.008 -9.675 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.224 -12.496 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.163 -11.014 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.204 -12.351 1.140 1.00 0.00 H new ATOM 1309 N ILE A 100 3.468 -9.126 5.041 1.00 0.00 N ATOM 1310 CA ILE A 100 3.938 -8.063 5.914 1.00 0.00 C ATOM 1311 C ILE A 100 4.849 -8.615 7.015 1.00 0.00 C ATOM 1312 O ILE A 100 5.843 -7.986 7.383 1.00 0.00 O ATOM 1313 CB ILE A 100 2.745 -7.290 6.527 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.925 -6.637 5.405 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.225 -6.256 7.539 1.00 0.00 C ATOM 1316 CD1 ILE A 100 0.813 -5.729 5.887 1.00 0.00 C ATOM 0 H ILE A 100 2.463 -9.294 5.091 1.00 0.00 H new ATOM 0 HA ILE A 100 4.523 -7.369 5.311 1.00 0.00 H new ATOM 0 HB ILE A 100 2.105 -7.991 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.597 -6.061 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.493 -7.422 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.367 -5.728 7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.766 -6.757 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.886 -5.543 7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.287 -5.311 5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.115 -6.301 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.236 -4.920 6.482 1.00 0.00 H new ATOM 1328 N SER A 101 4.528 -9.804 7.514 1.00 0.00 N ATOM 1329 CA SER A 101 5.324 -10.427 8.564 1.00 0.00 C ATOM 1330 C SER A 101 6.627 -11.003 8.003 1.00 0.00 C ATOM 1331 O SER A 101 7.646 -11.045 8.692 1.00 0.00 O ATOM 1332 CB SER A 101 4.514 -11.527 9.260 1.00 0.00 C ATOM 1333 OG SER A 101 5.235 -12.104 10.336 1.00 0.00 O ATOM 0 H SER A 101 3.725 -10.354 7.209 1.00 0.00 H new ATOM 0 HA SER A 101 5.582 -9.659 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.577 -11.111 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.255 -12.301 8.538 1.00 0.00 H new ATOM 0 HG SER A 101 4.737 -11.974 11.170 1.00 0.00 H new ATOM 1339 N GLY A 102 6.597 -11.429 6.746 1.00 0.00 N ATOM 1340 CA GLY A 102 7.773 -12.029 6.138 1.00 0.00 C ATOM 1341 C GLY A 102 7.663 -13.537 6.065 1.00 0.00 C ATOM 1342 O GLY A 102 8.633 -14.233 5.768 1.00 0.00 O ATOM 0 H GLY A 102 5.781 -11.371 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.909 -11.626 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.658 -11.757 6.713 1.00 0.00 H new ATOM 1346 N LYS A 103 6.470 -14.034 6.347 1.00 0.00 N ATOM 1347 CA LYS A 103 6.187 -15.460 6.310 1.00 0.00 C ATOM 1348 C LYS A 103 5.925 -15.926 4.889 1.00 0.00 C ATOM 1349 O LYS A 103 6.354 -17.006 4.482 1.00 0.00 O ATOM 1350 CB LYS A 103 4.969 -15.761 7.178 1.00 0.00 C ATOM 1351 CG LYS A 103 5.263 -15.726 8.666 1.00 0.00 C ATOM 1352 CD LYS A 103 4.005 -15.925 9.490 1.00 0.00 C ATOM 1353 CE LYS A 103 4.315 -15.996 10.976 1.00 0.00 C ATOM 1354 NZ LYS A 103 4.907 -14.730 11.488 1.00 0.00 N ATOM 0 H LYS A 103 5.669 -13.459 6.609 1.00 0.00 H new ATOM 0 HA LYS A 103 7.057 -15.994 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.185 -15.038 6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.580 -16.745 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.987 -16.503 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.720 -14.771 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.312 -15.105 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.506 -16.842 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.400 -16.216 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.005 -16.819 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.908 -14.885 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.833 -13.992 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.394 -14.427 12.340 1.00 0.00 H new ATOM 1368 N LEU A 104 5.206 -15.113 4.140 1.00 0.00 N ATOM 1369 CA LEU A 104 4.889 -15.434 2.767 1.00 0.00 C ATOM 1370 C LEU A 104 5.801 -14.672 1.823 1.00 0.00 C ATOM 1371 O LEU A 104 6.042 -13.477 1.998 1.00 0.00 O ATOM 1372 CB LEU A 104 3.422 -15.114 2.492 1.00 0.00 C ATOM 1373 CG LEU A 104 2.947 -15.300 1.052 1.00 0.00 C ATOM 1374 CD1 LEU A 104 3.178 -16.726 0.590 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.475 -14.930 0.925 1.00 0.00 C ATOM 0 H LEU A 104 4.830 -14.222 4.463 1.00 0.00 H new ATOM 0 HA LEU A 104 5.050 -16.499 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.808 -15.741 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.237 -14.080 2.782 1.00 0.00 H new ATOM 0 HG LEU A 104 3.528 -14.636 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.832 -16.836 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.242 -16.957 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.626 -17.411 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.153 -15.068 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.882 -15.569 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.336 -13.888 1.212 1.00 0.00 H new ATOM 1387 N ASN A 105 6.330 -15.385 0.846 1.00 0.00 N ATOM 1388 CA ASN A 105 7.183 -14.790 -0.166 1.00 0.00 C ATOM 1389 C ASN A 105 6.341 -14.081 -1.215 1.00 0.00 C ATOM 1390 O ASN A 105 5.451 -14.687 -1.818 1.00 0.00 O ATOM 1391 CB ASN A 105 8.042 -15.869 -0.835 1.00 0.00 C ATOM 1392 CG ASN A 105 9.060 -16.485 0.105 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.503 -15.726 1.093 1.00 0.00 O flip ATOM 1394 ND2 ASN A 105 9.442 -17.641 -0.052 1.00 0.00 N flip ATOM 0 H ASN A 105 6.182 -16.388 0.732 1.00 0.00 H new ATOM 0 HA ASN A 105 7.836 -14.062 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.392 -16.654 -1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.561 -15.434 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.079 -18.198 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.123 -18.045 0.591 1.00 0.00 H new ATOM 1401 N PRO A 106 6.606 -12.786 -1.450 1.00 0.00 N ATOM 1402 CA PRO A 106 5.919 -12.031 -2.489 1.00 0.00 C ATOM 1403 C PRO A 106 6.258 -12.586 -3.860 1.00 0.00 C ATOM 1404 O PRO A 106 5.489 -12.452 -4.806 1.00 0.00 O ATOM 1405 CB PRO A 106 6.423 -10.591 -2.343 1.00 0.00 C ATOM 1406 CG PRO A 106 7.273 -10.557 -1.112 1.00 0.00 C ATOM 1407 CD PRO A 106 7.603 -11.975 -0.734 1.00 0.00 C ATOM 0 HA PRO A 106 4.835 -12.090 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.998 -10.291 -3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.588 -9.895 -2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.185 -9.989 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.745 -10.059 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.618 -12.240 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.537 -12.125 0.344 1.00 0.00 H new ATOM 1415 N GLN A 107 7.416 -13.229 -3.941 1.00 0.00 N ATOM 1416 CA GLN A 107 7.833 -13.928 -5.138 1.00 0.00 C ATOM 1417 C GLN A 107 6.857 -15.047 -5.473 1.00 0.00 C ATOM 1418 O GLN A 107 6.240 -15.049 -6.539 1.00 0.00 O ATOM 1419 CB GLN A 107 9.223 -14.522 -4.941 1.00 0.00 C ATOM 1420 CG GLN A 107 10.357 -13.504 -4.931 1.00 0.00 C ATOM 1421 CD GLN A 107 10.369 -12.639 -3.687 1.00 0.00 C ATOM 1422 OE1 GLN A 107 9.941 -13.070 -2.615 1.00 0.00 O ATOM 1423 NE2 GLN A 107 10.860 -11.418 -3.817 1.00 0.00 N ATOM 0 H GLN A 107 8.089 -13.277 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 107 7.852 -13.212 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.238 -15.071 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.410 -15.245 -5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 107 11.309 -14.029 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.271 -12.865 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.204 -11.101 -4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.895 -10.794 -3.011 1.00 0.00 H new ATOM 1432 N LYS A 108 6.710 -15.993 -4.550 1.00 0.00 N ATOM 1433 CA LYS A 108 5.841 -17.140 -4.776 1.00 0.00 C ATOM 1434 C LYS A 108 4.407 -16.679 -4.947 1.00 0.00 C ATOM 1435 O LYS A 108 3.649 -17.243 -5.728 1.00 0.00 O ATOM 1436 CB LYS A 108 5.937 -18.148 -3.619 1.00 0.00 C ATOM 1437 CG LYS A 108 5.156 -17.764 -2.365 1.00 0.00 C ATOM 1438 CD LYS A 108 4.043 -18.755 -2.052 1.00 0.00 C ATOM 1439 CE LYS A 108 2.759 -18.425 -2.796 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.971 -17.354 -2.137 1.00 0.00 N ATOM 0 H LYS A 108 7.179 -15.987 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 108 6.170 -17.640 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.580 -19.116 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.986 -18.273 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.839 -17.708 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.728 -16.770 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.368 -19.761 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.850 -18.756 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.003 -18.117 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.148 -19.324 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.161 -17.099 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.626 -17.693 -1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.573 -16.518 -1.995 1.00 0.00 H new ATOM 1454 N ALA A 109 4.042 -15.637 -4.217 1.00 0.00 N ATOM 1455 CA ALA A 109 2.681 -15.142 -4.257 1.00 0.00 C ATOM 1456 C ALA A 109 2.410 -14.469 -5.596 1.00 0.00 C ATOM 1457 O ALA A 109 1.295 -14.516 -6.111 1.00 0.00 O ATOM 1458 CB ALA A 109 2.431 -14.185 -3.107 1.00 0.00 C ATOM 0 H ALA A 109 4.666 -15.123 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 109 1.995 -15.982 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.404 -13.823 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.592 -14.703 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.117 -13.341 -3.180 1.00 0.00 H new ATOM 1464 N PHE A 110 3.445 -13.845 -6.149 1.00 0.00 N ATOM 1465 CA PHE A 110 3.380 -13.261 -7.482 1.00 0.00 C ATOM 1466 C PHE A 110 3.093 -14.360 -8.501 1.00 0.00 C ATOM 1467 O PHE A 110 2.197 -14.238 -9.337 1.00 0.00 O ATOM 1468 CB PHE A 110 4.714 -12.566 -7.808 1.00 0.00 C ATOM 1469 CG PHE A 110 4.780 -11.899 -9.159 1.00 0.00 C ATOM 1470 CD1 PHE A 110 5.069 -12.633 -10.300 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.570 -10.536 -9.285 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.145 -12.020 -11.535 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.643 -9.918 -10.518 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.930 -10.661 -11.645 1.00 0.00 C ATOM 0 H PHE A 110 4.348 -13.731 -5.688 1.00 0.00 H new ATOM 0 HA PHE A 110 2.581 -12.521 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.911 -11.817 -7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.514 -13.304 -7.746 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.237 -13.697 -10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.346 -9.948 -8.407 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.373 -12.604 -12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.476 -8.854 -10.600 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.986 -10.180 -12.611 1.00 0.00 H new ATOM 1484 N PHE A 111 3.860 -15.440 -8.393 1.00 0.00 N ATOM 1485 CA PHE A 111 3.727 -16.605 -9.264 1.00 0.00 C ATOM 1486 C PHE A 111 2.339 -17.229 -9.133 1.00 0.00 C ATOM 1487 O PHE A 111 1.700 -17.577 -10.125 1.00 0.00 O ATOM 1488 CB PHE A 111 4.808 -17.629 -8.889 1.00 0.00 C ATOM 1489 CG PHE A 111 4.752 -18.916 -9.665 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.400 -19.037 -10.883 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.059 -20.010 -9.168 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.357 -20.223 -11.591 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.014 -21.196 -9.871 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.663 -21.303 -11.084 1.00 0.00 C ATOM 0 H PHE A 111 4.597 -15.533 -7.694 1.00 0.00 H new ATOM 0 HA PHE A 111 3.854 -16.294 -10.301 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.787 -17.174 -9.037 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.720 -17.857 -7.827 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.945 -18.195 -11.284 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.549 -19.932 -8.219 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.866 -20.305 -12.540 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.471 -22.040 -9.472 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.628 -22.231 -11.636 1.00 0.00 H new ATOM 1504 N GLN A 112 1.881 -17.352 -7.896 1.00 0.00 N ATOM 1505 CA GLN A 112 0.610 -17.991 -7.596 1.00 0.00 C ATOM 1506 C GLN A 112 -0.583 -17.105 -7.963 1.00 0.00 C ATOM 1507 O GLN A 112 -1.720 -17.570 -7.996 1.00 0.00 O ATOM 1508 CB GLN A 112 0.576 -18.364 -6.115 1.00 0.00 C ATOM 1509 CG GLN A 112 1.491 -19.530 -5.773 1.00 0.00 C ATOM 1510 CD GLN A 112 0.977 -20.851 -6.308 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.230 -21.054 -6.435 1.00 0.00 O ATOM 1512 NE2 GLN A 112 1.886 -21.759 -6.617 1.00 0.00 N ATOM 0 H GLN A 112 2.380 -17.012 -7.074 1.00 0.00 H new ATOM 0 HA GLN A 112 0.526 -18.891 -8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.865 -17.497 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.446 -18.617 -5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.484 -19.339 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.598 -19.598 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.877 -21.550 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.597 -22.669 -6.976 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.321 -15.834 -8.241 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.376 -14.942 -8.691 1.00 0.00 C ATOM 1523 C GLY A 113 -2.052 -14.199 -7.557 1.00 0.00 C ATOM 1524 O GLY A 113 -3.157 -13.679 -7.716 1.00 0.00 O ATOM 0 H GLY A 113 0.601 -15.404 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.958 -14.220 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.123 -15.519 -9.236 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.395 -14.150 -6.410 1.00 0.00 N ATOM 1529 CA LYS A 114 -1.909 -13.405 -5.273 1.00 0.00 C ATOM 1530 C LYS A 114 -1.327 -12.008 -5.236 1.00 0.00 C ATOM 1531 O LYS A 114 -1.916 -11.095 -4.663 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.597 -14.126 -3.968 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.636 -15.161 -3.596 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.199 -14.893 -2.223 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.149 -13.713 -2.255 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.439 -14.057 -2.913 1.00 0.00 N ATOM 0 H LYS A 114 -0.504 -14.618 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.991 -13.333 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.624 -14.611 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.520 -13.393 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.441 -15.154 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.190 -16.155 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.722 -15.778 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.387 -14.694 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.340 -13.373 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.681 -12.884 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.141 -13.317 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.297 -14.126 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.782 -14.969 -2.549 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.164 -11.854 -5.838 1.00 0.00 N ATOM 1551 CA ILE A 115 0.483 -10.562 -5.912 1.00 0.00 C ATOM 1552 C ILE A 115 0.452 -10.041 -7.343 1.00 0.00 C ATOM 1553 O ILE A 115 1.049 -10.618 -8.260 1.00 0.00 O ATOM 1554 CB ILE A 115 1.925 -10.618 -5.335 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.951 -9.998 -3.951 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.921 -9.879 -6.199 1.00 0.00 C ATOM 1557 CD1 ILE A 115 3.055 -10.526 -3.081 1.00 0.00 C ATOM 0 H ILE A 115 0.353 -12.612 -6.284 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.070 -9.857 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 115 2.209 -11.670 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.059 -8.918 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.994 -10.180 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.913 -9.949 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.940 -10.323 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.630 -8.831 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.014 -10.040 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.936 -11.602 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.017 -10.320 -3.549 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.330 -8.994 -7.528 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.411 -8.296 -8.781 1.00 0.00 C ATOM 1571 C LYS A 116 0.234 -6.925 -8.630 1.00 0.00 C ATOM 1572 O LYS A 116 -0.300 -6.044 -7.958 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.882 -8.190 -9.174 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.208 -7.076 -10.142 1.00 0.00 C ATOM 1575 CD LYS A 116 -1.586 -7.304 -11.509 1.00 0.00 C ATOM 1576 CE LYS A 116 -2.135 -8.551 -12.186 1.00 0.00 C ATOM 1577 NZ LYS A 116 -1.537 -8.760 -13.531 1.00 0.00 N ATOM 0 H LYS A 116 -0.930 -8.606 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 116 0.122 -8.829 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.193 -9.137 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.474 -8.050 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.290 -6.992 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.853 -6.129 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.773 -6.436 -12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.505 -7.395 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.936 -9.421 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.218 -8.467 -12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.937 -9.619 -13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.749 -7.941 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.506 -8.866 -13.440 1.00 0.00 H new ATOM 1591 N ILE A 117 1.402 -6.766 -9.220 1.00 0.00 N ATOM 1592 CA ILE A 117 2.146 -5.531 -9.118 1.00 0.00 C ATOM 1593 C ILE A 117 2.503 -5.016 -10.507 1.00 0.00 C ATOM 1594 O ILE A 117 2.947 -5.768 -11.371 1.00 0.00 O ATOM 1595 CB ILE A 117 3.402 -5.719 -8.222 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.618 -4.947 -8.732 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.747 -7.191 -8.059 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.561 -3.454 -8.480 1.00 0.00 C ATOM 0 H ILE A 117 1.858 -7.486 -9.780 1.00 0.00 H new ATOM 0 HA ILE A 117 1.522 -4.777 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 117 3.142 -5.304 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.514 -5.349 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.719 -5.119 -9.804 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.630 -7.290 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.909 -7.712 -7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.950 -7.628 -9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.462 -2.984 -8.873 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.686 -3.034 -8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.493 -3.268 -7.408 1.00 0.00 H new ATOM 1610 N GLN A 118 2.282 -3.729 -10.709 1.00 0.00 N ATOM 1611 CA GLN A 118 2.484 -3.094 -11.989 1.00 0.00 C ATOM 1612 C GLN A 118 3.026 -1.698 -11.744 1.00 0.00 C ATOM 1613 O GLN A 118 2.266 -0.753 -11.525 1.00 0.00 O ATOM 1614 CB GLN A 118 1.157 -3.040 -12.745 1.00 0.00 C ATOM 1615 CG GLN A 118 1.254 -2.458 -14.141 1.00 0.00 C ATOM 1616 CD GLN A 118 2.168 -3.255 -15.052 1.00 0.00 C ATOM 1617 OE1 GLN A 118 1.745 -4.220 -15.688 1.00 0.00 O ATOM 1618 NE2 GLN A 118 3.421 -2.837 -15.146 1.00 0.00 N ATOM 0 H GLN A 118 1.955 -3.095 -9.980 1.00 0.00 H new ATOM 0 HA GLN A 118 3.195 -3.657 -12.594 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.750 -4.049 -12.813 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.447 -2.449 -12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.258 -2.416 -14.581 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.618 -1.433 -14.077 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.732 -2.033 -14.602 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.075 -3.319 -15.763 1.00 0.00 H new ATOM 1627 N GLY A 119 4.339 -1.580 -11.732 1.00 0.00 N ATOM 1628 CA GLY A 119 4.949 -0.347 -11.308 1.00 0.00 C ATOM 1629 C GLY A 119 6.373 -0.194 -11.780 1.00 0.00 C ATOM 1630 O GLY A 119 6.946 -1.121 -12.352 1.00 0.00 O ATOM 0 H GLY A 119 4.991 -2.314 -12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.358 0.490 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.926 -0.294 -10.220 1.00 0.00 H new ATOM 1634 N ASN A 120 6.915 0.996 -11.554 1.00 0.00 N ATOM 1635 CA ASN A 120 8.281 1.337 -11.942 1.00 0.00 C ATOM 1636 C ASN A 120 9.269 0.267 -11.485 1.00 0.00 C ATOM 1637 O ASN A 120 9.427 0.009 -10.287 1.00 0.00 O ATOM 1638 CB ASN A 120 8.672 2.691 -11.339 1.00 0.00 C ATOM 1639 CG ASN A 120 10.092 3.099 -11.686 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.036 2.779 -10.968 1.00 0.00 O ATOM 1641 ND2 ASN A 120 10.251 3.810 -12.789 1.00 0.00 N ATOM 0 H ASN A 120 6.417 1.758 -11.093 1.00 0.00 H new ATOM 0 HA ASN A 120 8.318 1.395 -13.030 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.981 3.456 -11.695 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.566 2.646 -10.255 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.183 4.113 -13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.441 4.056 -13.359 1.00 0.00 H new ATOM 1648 N MET A 121 9.931 -0.344 -12.462 1.00 0.00 N ATOM 1649 CA MET A 121 10.866 -1.432 -12.215 1.00 0.00 C ATOM 1650 C MET A 121 12.013 -0.990 -11.321 1.00 0.00 C ATOM 1651 O MET A 121 12.472 -1.751 -10.481 1.00 0.00 O ATOM 1652 CB MET A 121 11.423 -1.948 -13.542 1.00 0.00 C ATOM 1653 CG MET A 121 12.404 -3.096 -13.386 1.00 0.00 C ATOM 1654 SD MET A 121 13.129 -3.611 -14.957 1.00 0.00 S ATOM 1655 CE MET A 121 14.124 -5.001 -14.420 1.00 0.00 C ATOM 0 H MET A 121 9.833 -0.098 -13.447 1.00 0.00 H new ATOM 0 HA MET A 121 10.324 -2.228 -11.704 1.00 0.00 H new ATOM 0 HB2 MET A 121 10.595 -2.272 -14.172 1.00 0.00 H new ATOM 0 HB3 MET A 121 11.917 -1.127 -14.062 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.200 -2.798 -12.703 1.00 0.00 H new ATOM 0 HG3 MET A 121 11.894 -3.945 -12.930 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.639 -5.433 -15.278 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.858 -4.662 -13.689 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.481 -5.755 -13.966 1.00 0.00 H new ATOM 1665 N GLY A 122 12.445 0.253 -11.480 1.00 0.00 N ATOM 1666 CA GLY A 122 13.607 0.734 -10.758 1.00 0.00 C ATOM 1667 C GLY A 122 13.334 0.872 -9.278 1.00 0.00 C ATOM 1668 O GLY A 122 14.255 0.951 -8.468 1.00 0.00 O ATOM 0 H GLY A 122 12.011 0.939 -12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.439 0.047 -10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 122 13.912 1.699 -11.162 1.00 0.00 H new ATOM 1672 N LEU A 123 12.062 0.900 -8.931 1.00 0.00 N ATOM 1673 CA LEU A 123 11.644 1.003 -7.551 1.00 0.00 C ATOM 1674 C LEU A 123 11.471 -0.389 -6.951 1.00 0.00 C ATOM 1675 O LEU A 123 12.140 -0.759 -5.985 1.00 0.00 O ATOM 1676 CB LEU A 123 10.323 1.760 -7.479 1.00 0.00 C ATOM 1677 CG LEU A 123 10.058 2.474 -6.158 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.656 3.867 -6.198 1.00 0.00 C ATOM 1679 CD2 LEU A 123 8.569 2.524 -5.872 1.00 0.00 C ATOM 0 H LEU A 123 11.292 0.852 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 123 12.405 1.540 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.299 2.496 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.510 1.059 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 123 10.533 1.919 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.464 4.373 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.732 3.797 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.203 4.434 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.397 3.037 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.062 3.062 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.176 1.509 -5.811 1.00 0.00 H new ATOM 1691 N ALA A 124 10.592 -1.169 -7.573 1.00 0.00 N ATOM 1692 CA ALA A 124 10.237 -2.496 -7.084 1.00 0.00 C ATOM 1693 C ALA A 124 11.408 -3.470 -7.224 1.00 0.00 C ATOM 1694 O ALA A 124 11.409 -4.543 -6.624 1.00 0.00 O ATOM 1695 CB ALA A 124 9.019 -3.015 -7.828 1.00 0.00 C ATOM 0 H ALA A 124 10.107 -0.899 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 124 9.998 -2.417 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.761 -4.007 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.180 -2.338 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.241 -3.073 -8.894 1.00 0.00 H new ATOM 1701 N MET A 125 12.417 -3.092 -8.007 1.00 0.00 N ATOM 1702 CA MET A 125 13.608 -3.923 -8.160 1.00 0.00 C ATOM 1703 C MET A 125 14.367 -4.018 -6.843 1.00 0.00 C ATOM 1704 O MET A 125 15.152 -4.940 -6.642 1.00 0.00 O ATOM 1705 CB MET A 125 14.535 -3.389 -9.246 1.00 0.00 C ATOM 1706 CG MET A 125 15.257 -2.145 -8.817 1.00 0.00 C ATOM 1707 SD MET A 125 16.275 -1.417 -10.118 1.00 0.00 S ATOM 1708 CE MET A 125 17.426 -2.750 -10.450 1.00 0.00 C ATOM 0 H MET A 125 12.434 -2.223 -8.541 1.00 0.00 H new ATOM 0 HA MET A 125 13.271 -4.916 -8.458 1.00 0.00 H new ATOM 0 HB2 MET A 125 15.263 -4.157 -9.509 1.00 0.00 H new ATOM 0 HB3 MET A 125 13.955 -3.178 -10.145 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.527 -1.408 -8.483 1.00 0.00 H new ATOM 0 HG3 MET A 125 15.889 -2.379 -7.960 1.00 0.00 H new ATOM 0 HE1 MET A 125 18.277 -2.364 -11.011 1.00 0.00 H new ATOM 0 HE2 MET A 125 17.774 -3.174 -9.508 1.00 0.00 H new ATOM 0 HE3 MET A 125 16.928 -3.524 -11.034 1.00 0.00 H new ATOM 1718 N LYS A 126 14.135 -3.067 -5.942 1.00 0.00 N ATOM 1719 CA LYS A 126 14.768 -3.121 -4.631 1.00 0.00 C ATOM 1720 C LYS A 126 14.010 -4.097 -3.746 1.00 0.00 C ATOM 1721 O LYS A 126 14.581 -4.744 -2.870 1.00 0.00 O ATOM 1722 CB LYS A 126 14.829 -1.734 -3.979 1.00 0.00 C ATOM 1723 CG LYS A 126 15.556 -1.721 -2.642 1.00 0.00 C ATOM 1724 CD LYS A 126 16.983 -2.227 -2.779 1.00 0.00 C ATOM 1725 CE LYS A 126 17.668 -2.328 -1.429 1.00 0.00 C ATOM 1726 NZ LYS A 126 19.031 -2.906 -1.544 1.00 0.00 N ATOM 0 H LYS A 126 13.524 -2.264 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 126 15.795 -3.465 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 126 15.326 -1.043 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.814 -1.365 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.565 -0.707 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.016 -2.341 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.979 -3.205 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.548 -1.556 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.730 -1.338 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 126 17.067 -2.945 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.570 -2.699 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 18.962 -3.936 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.517 -2.488 -2.363 1.00 0.00 H new ATOM 1740 N LEU A 127 12.718 -4.201 -4.003 1.00 0.00 N ATOM 1741 CA LEU A 127 11.871 -5.197 -3.369 1.00 0.00 C ATOM 1742 C LEU A 127 12.379 -6.568 -3.786 1.00 0.00 C ATOM 1743 O LEU A 127 12.524 -7.484 -2.976 1.00 0.00 O ATOM 1744 CB LEU A 127 10.411 -5.021 -3.829 1.00 0.00 C ATOM 1745 CG LEU A 127 9.670 -3.744 -3.384 1.00 0.00 C ATOM 1746 CD1 LEU A 127 9.201 -3.873 -1.955 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.526 -2.495 -3.521 1.00 0.00 C ATOM 0 H LEU A 127 12.225 -3.595 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 127 11.904 -5.087 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.396 -5.056 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 127 9.842 -5.880 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 127 8.813 -3.636 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.680 -2.962 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.523 -4.722 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 127 10.060 -4.028 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.956 -1.625 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 127 11.419 -2.596 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.818 -2.367 -4.563 1.00 0.00 H new ATOM 1759 N THR A 128 12.658 -6.665 -5.078 1.00 0.00 N ATOM 1760 CA THR A 128 13.281 -7.829 -5.678 1.00 0.00 C ATOM 1761 C THR A 128 14.680 -8.079 -5.104 1.00 0.00 C ATOM 1762 O THR A 128 15.047 -9.215 -4.819 1.00 0.00 O ATOM 1763 CB THR A 128 13.360 -7.623 -7.199 1.00 0.00 C ATOM 1764 OG1 THR A 128 12.063 -7.789 -7.783 1.00 0.00 O ATOM 1765 CG2 THR A 128 14.356 -8.560 -7.856 1.00 0.00 C ATOM 0 H THR A 128 12.453 -5.923 -5.747 1.00 0.00 H new ATOM 0 HA THR A 128 12.675 -8.706 -5.450 1.00 0.00 H new ATOM 0 HB THR A 128 13.712 -6.606 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.121 -7.655 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 128 14.375 -8.376 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 128 15.348 -8.386 -7.440 1.00 0.00 H new ATOM 0 HG23 THR A 128 14.061 -9.593 -7.670 1.00 0.00 H new ATOM 1773 N ASP A 129 15.440 -7.001 -4.927 1.00 0.00 N ATOM 1774 CA ASP A 129 16.821 -7.065 -4.433 1.00 0.00 C ATOM 1775 C ASP A 129 16.915 -7.828 -3.119 1.00 0.00 C ATOM 1776 O ASP A 129 17.877 -8.551 -2.874 1.00 0.00 O ATOM 1777 CB ASP A 129 17.350 -5.647 -4.226 1.00 0.00 C ATOM 1778 CG ASP A 129 18.801 -5.598 -3.783 1.00 0.00 C ATOM 1779 OD1 ASP A 129 19.695 -5.695 -4.646 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.056 -5.422 -2.572 1.00 0.00 O ATOM 0 H ASP A 129 15.118 -6.053 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 129 17.419 -7.593 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.244 -5.089 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.734 -5.144 -3.481 1.00 0.00 H new ATOM 1785 N LEU A 130 15.895 -7.669 -2.292 1.00 0.00 N ATOM 1786 CA LEU A 130 15.860 -8.276 -0.962 1.00 0.00 C ATOM 1787 C LEU A 130 15.974 -9.805 -0.991 1.00 0.00 C ATOM 1788 O LEU A 130 16.290 -10.417 0.029 1.00 0.00 O ATOM 1789 CB LEU A 130 14.591 -7.871 -0.230 1.00 0.00 C ATOM 1790 CG LEU A 130 14.486 -6.382 0.097 1.00 0.00 C ATOM 1791 CD1 LEU A 130 13.587 -6.195 1.292 1.00 0.00 C ATOM 1792 CD2 LEU A 130 15.857 -5.773 0.369 1.00 0.00 C ATOM 0 H LEU A 130 15.067 -7.118 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 130 16.735 -7.901 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 130 13.732 -8.157 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 130 14.528 -8.438 0.699 1.00 0.00 H new ATOM 0 HG LEU A 130 14.063 -5.868 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 130 13.511 -5.133 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.596 -6.589 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.003 -6.727 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.745 -4.713 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.319 -6.281 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 130 16.488 -5.889 -0.512 1.00 0.00 H new ATOM 1804 N GLN A 131 15.738 -10.420 -2.148 1.00 0.00 N ATOM 1805 CA GLN A 131 15.764 -11.880 -2.253 1.00 0.00 C ATOM 1806 C GLN A 131 17.150 -12.446 -1.949 1.00 0.00 C ATOM 1807 O GLN A 131 17.270 -13.556 -1.435 1.00 0.00 O ATOM 1808 CB GLN A 131 15.311 -12.347 -3.637 1.00 0.00 C ATOM 1809 CG GLN A 131 16.212 -11.883 -4.770 1.00 0.00 C ATOM 1810 CD GLN A 131 15.766 -12.411 -6.116 1.00 0.00 C ATOM 1811 OE1 GLN A 131 14.878 -11.684 -6.768 1.00 0.00 O flip ATOM 1812 NE2 GLN A 131 16.210 -13.470 -6.559 1.00 0.00 N flip ATOM 0 H GLN A 131 15.528 -9.936 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 131 15.066 -12.258 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.265 -13.436 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.299 -11.984 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 131 16.225 -10.793 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 131 17.233 -12.210 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 131 16.896 -14.000 -6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 131 15.892 -13.817 -7.464 1.00 0.00 H new ATOM 1821 N ARG A 132 18.195 -11.684 -2.256 1.00 0.00 N ATOM 1822 CA ARG A 132 19.559 -12.131 -1.980 1.00 0.00 C ATOM 1823 C ARG A 132 19.777 -12.244 -0.480 1.00 0.00 C ATOM 1824 O ARG A 132 20.501 -13.117 -0.004 1.00 0.00 O ATOM 1825 CB ARG A 132 20.581 -11.177 -2.595 1.00 0.00 C ATOM 1826 CG ARG A 132 20.458 -9.759 -2.098 1.00 0.00 C ATOM 1827 CD ARG A 132 21.458 -8.836 -2.769 1.00 0.00 C ATOM 1828 NE ARG A 132 21.204 -7.436 -2.442 1.00 0.00 N ATOM 1829 CZ ARG A 132 22.144 -6.556 -2.098 1.00 0.00 C ATOM 1830 NH1 ARG A 132 23.416 -6.926 -2.007 1.00 0.00 N ATOM 1831 NH2 ARG A 132 21.803 -5.302 -1.851 1.00 0.00 N ATOM 0 H ARG A 132 18.127 -10.764 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 132 19.697 -13.113 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 132 21.584 -11.544 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 132 20.466 -11.185 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 132 19.447 -9.396 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 132 20.611 -9.738 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 132 22.467 -9.105 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 132 21.411 -8.972 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 132 20.239 -7.108 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 132 23.681 -7.892 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 132 24.128 -6.245 -1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 132 20.827 -5.015 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 132 22.516 -4.622 -1.587 1.00 0.00 H new ATOM 1845 N GLN A 133 19.121 -11.364 0.254 1.00 0.00 N ATOM 1846 CA GLN A 133 19.184 -11.368 1.707 1.00 0.00 C ATOM 1847 C GLN A 133 18.250 -12.435 2.265 1.00 0.00 C ATOM 1848 O GLN A 133 18.571 -13.116 3.237 1.00 0.00 O ATOM 1849 CB GLN A 133 18.798 -9.991 2.255 1.00 0.00 C ATOM 1850 CG GLN A 133 19.622 -8.853 1.672 1.00 0.00 C ATOM 1851 CD GLN A 133 21.104 -8.972 1.979 1.00 0.00 C ATOM 1852 OE1 GLN A 133 21.434 -9.487 3.153 1.00 0.00 O flip ATOM 1853 NE2 GLN A 133 21.946 -8.584 1.172 1.00 0.00 N flip ATOM 0 H GLN A 133 18.532 -10.629 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 133 20.204 -11.595 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.744 -9.809 2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.914 -9.995 3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.482 -8.828 0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 133 19.251 -7.906 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 133 21.652 -8.193 0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 133 22.938 -8.653 1.397 1.00 0.00 H new ATOM 1862 N ALA A 134 17.097 -12.579 1.622 1.00 0.00 N ATOM 1863 CA ALA A 134 16.074 -13.522 2.056 1.00 0.00 C ATOM 1864 C ALA A 134 16.510 -14.971 1.855 1.00 0.00 C ATOM 1865 O ALA A 134 16.353 -15.803 2.746 1.00 0.00 O ATOM 1866 CB ALA A 134 14.775 -13.253 1.310 1.00 0.00 C ATOM 0 H ALA A 134 16.846 -12.048 0.788 1.00 0.00 H new ATOM 0 HA ALA A 134 15.918 -13.376 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 134 14.014 -13.961 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 134 14.440 -12.237 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 134 14.940 -13.368 0.239 1.00 0.00 H new ATOM 1872 N ALA A 135 17.050 -15.275 0.683 1.00 0.00 N ATOM 1873 CA ALA A 135 17.455 -16.639 0.368 1.00 0.00 C ATOM 1874 C ALA A 135 18.886 -16.915 0.816 1.00 0.00 C ATOM 1875 O ALA A 135 19.257 -18.060 1.080 1.00 0.00 O ATOM 1876 CB ALA A 135 17.304 -16.905 -1.120 1.00 0.00 C ATOM 0 H ALA A 135 17.217 -14.600 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 135 16.800 -17.316 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 135 17.610 -17.928 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.262 -16.768 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 135 17.931 -16.210 -1.679 1.00 0.00 H new ATOM 1882 N GLY A 136 19.688 -15.863 0.900 1.00 0.00 N ATOM 1883 CA GLY A 136 21.068 -16.017 1.321 1.00 0.00 C ATOM 1884 C GLY A 136 21.982 -16.377 0.168 1.00 0.00 C ATOM 1885 O GLY A 136 23.163 -16.667 0.366 1.00 0.00 O ATOM 0 H GLY A 136 19.409 -14.906 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 136 21.412 -15.090 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 136 21.128 -16.791 2.086 1.00 0.00 H new ATOM 1889 N ARG A 137 21.433 -16.364 -1.038 1.00 0.00 N ATOM 1890 CA ARG A 137 22.204 -16.680 -2.230 1.00 0.00 C ATOM 1891 C ARG A 137 22.598 -15.398 -2.954 1.00 0.00 C ATOM 1892 O ARG A 137 21.752 -14.548 -3.245 1.00 0.00 O ATOM 1893 CB ARG A 137 21.411 -17.604 -3.164 1.00 0.00 C ATOM 1894 CG ARG A 137 20.084 -17.029 -3.634 1.00 0.00 C ATOM 1895 CD ARG A 137 19.362 -17.971 -4.585 1.00 0.00 C ATOM 1896 NE ARG A 137 20.142 -18.246 -5.792 1.00 0.00 N ATOM 1897 CZ ARG A 137 19.665 -18.140 -7.034 1.00 0.00 C ATOM 1898 NH1 ARG A 137 18.423 -17.713 -7.245 1.00 0.00 N ATOM 1899 NH2 ARG A 137 20.439 -18.454 -8.066 1.00 0.00 N ATOM 0 H ARG A 137 20.455 -16.137 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 137 23.110 -17.204 -1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 137 22.024 -17.833 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 137 21.224 -18.547 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 137 19.449 -16.828 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 137 20.258 -16.075 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 137 19.148 -18.909 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 137 18.403 -17.536 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 137 21.113 -18.537 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 137 17.828 -17.464 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 137 18.065 -17.635 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 137 21.394 -18.775 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 137 20.078 -18.374 -9.017 1.00 0.00 H new ATOM 1913 N ILE A 138 23.886 -15.252 -3.217 1.00 0.00 N ATOM 1914 CA ILE A 138 24.400 -14.075 -3.898 1.00 0.00 C ATOM 1915 C ILE A 138 24.668 -14.392 -5.361 1.00 0.00 C ATOM 1916 O ILE A 138 23.998 -13.873 -6.254 1.00 0.00 O ATOM 1917 CB ILE A 138 25.706 -13.541 -3.246 1.00 0.00 C ATOM 1918 CG1 ILE A 138 25.432 -12.908 -1.873 1.00 0.00 C ATOM 1919 CG2 ILE A 138 26.398 -12.535 -4.160 1.00 0.00 C ATOM 1920 CD1 ILE A 138 25.150 -13.908 -0.771 1.00 0.00 C ATOM 0 H ILE A 138 24.598 -15.938 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 138 23.638 -13.300 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 138 26.368 -14.394 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 138 26.292 -12.303 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.581 -12.232 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 138 27.309 -12.176 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 138 26.650 -13.015 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 138 25.730 -11.694 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 138 24.968 -13.378 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 138 24.271 -14.498 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 138 26.008 -14.569 -0.651 1.00 0.00 H new ATOM 1932 N GLU A 139 25.648 -15.244 -5.597 1.00 0.00 N ATOM 1933 CA GLU A 139 26.055 -15.580 -6.947 1.00 0.00 C ATOM 1934 C GLU A 139 25.500 -16.939 -7.353 1.00 0.00 C ATOM 1935 O GLU A 139 25.060 -17.718 -6.507 1.00 0.00 O ATOM 1936 CB GLU A 139 27.579 -15.561 -7.044 1.00 0.00 C ATOM 1937 CG GLU A 139 28.262 -16.607 -6.179 1.00 0.00 C ATOM 1938 CD GLU A 139 29.768 -16.574 -6.312 1.00 0.00 C ATOM 1939 OE1 GLU A 139 30.405 -15.713 -5.673 1.00 0.00 O ATOM 1940 OE2 GLU A 139 30.323 -17.405 -7.057 1.00 0.00 O ATOM 0 H GLU A 139 26.179 -15.718 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 139 25.651 -14.838 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 139 27.870 -15.716 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 139 27.940 -14.573 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 139 27.989 -16.446 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 139 27.898 -17.597 -6.455 1.00 0.00 H new ATOM 1947 N SER A 140 25.511 -17.214 -8.646 1.00 0.00 N ATOM 1948 CA SER A 140 25.049 -18.493 -9.154 1.00 0.00 C ATOM 1949 C SER A 140 25.866 -18.884 -10.381 1.00 0.00 C ATOM 1950 O SER A 140 25.320 -19.159 -11.452 1.00 0.00 O ATOM 1951 CB SER A 140 23.558 -18.413 -9.498 1.00 0.00 C ATOM 1952 OG SER A 140 22.982 -19.703 -9.622 1.00 0.00 O ATOM 0 H SER A 140 25.836 -16.567 -9.364 1.00 0.00 H new ATOM 0 HA SER A 140 25.183 -19.257 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 140 23.035 -17.853 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 140 23.428 -17.864 -10.431 1.00 0.00 H new ATOM 0 HG SER A 140 22.030 -19.617 -9.840 1.00 0.00 H new ATOM 1958 N ILE A 141 27.182 -18.893 -10.216 1.00 0.00 N ATOM 1959 CA ILE A 141 28.091 -19.221 -11.304 1.00 0.00 C ATOM 1960 C ILE A 141 29.023 -20.362 -10.904 1.00 0.00 C ATOM 1961 O ILE A 141 30.091 -20.098 -10.311 1.00 0.00 O ATOM 1962 CB ILE A 141 28.916 -17.990 -11.753 1.00 0.00 C ATOM 1963 CG1 ILE A 141 29.426 -17.201 -10.538 1.00 0.00 C ATOM 1964 CG2 ILE A 141 28.081 -17.098 -12.661 1.00 0.00 C ATOM 1965 CD1 ILE A 141 30.292 -16.011 -10.900 1.00 0.00 C ATOM 1966 OXT ILE A 141 28.670 -21.528 -11.163 1.00 0.00 O ATOM 0 H ILE A 141 27.645 -18.675 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 141 27.482 -19.542 -12.149 1.00 0.00 H new ATOM 0 HB ILE A 141 29.782 -18.342 -12.313 1.00 0.00 H new ATOM 0 HG12 ILE A 141 28.571 -16.853 -9.958 1.00 0.00 H new ATOM 0 HG13 ILE A 141 29.996 -17.871 -9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 141 28.673 -16.236 -12.969 1.00 0.00 H new ATOM 0 HG22 ILE A 141 27.774 -17.661 -13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 141 27.197 -16.757 -12.123 1.00 0.00 H new ATOM 0 HD11 ILE A 141 30.613 -15.505 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 141 31.167 -16.353 -11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 141 29.719 -15.319 -11.517 1.00 0.00 H new TER 1978 ILE A 141