USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 747 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 ASN : amide:sc= 0.252 X(o=-4.1,f=-4.1) USER MOD Set 1.2: A 103 GLN : amide:sc= -4.33! C(o=-4.1!,f=-3.2!) USER MOD Set 2.1: A 96 ASN : amide:sc=-0.00496 K(o=-1,f=-7.4!) USER MOD Set 2.2: A 97 ASN : amide:sc= -1.03 K(o=-1,f=-9.7!) USER MOD Set 3.1: A 44 SER OG : rot -80:sc= 0.883 USER MOD Set 3.2: A 46 ASN : amide:sc= 0.779 K(o=1.7,f=-0.16) USER MOD Set 4.1: A 37 THR OG1 : rot -130:sc= -1.59! USER MOD Set 4.2: A 85 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0.49) USER MOD Set 5.1: A 29 ASN : amide:sc= -0.136 K(o=-0.28,f=-11!) USER MOD Set 5.2: A 34 LYS NZ :NH3+ 174:sc= -0.141 (180deg=-0.271) USER MOD Set 6.1: A 26 TYR OH : rot -110:sc= -0.0107 USER MOD Set 6.2: A 65 SER OG : rot 176:sc= 0.0402 USER MOD Set 7.1: A 24 LYS NZ :NH3+ -166:sc= 0.983 (180deg=-0.399) USER MOD Set 7.2: A 69 TYR OH : rot 150:sc= -0.574! USER MOD Set 8.1: A 16 TYR OH : rot 180:sc=-0.00894 USER MOD Set 8.2: A 19 SER OG : rot -2:sc= 0.138 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.25 USER MOD Single : A 8 SER OG : rot 162:sc= 0.177 USER MOD Single : A 10 GLN : amide:sc= -0.0888 X(o=-0.089,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -15:sc= -0.267 USER MOD Single : A 15 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.98) USER MOD Single : A 20 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 22 SER OG : rot 31:sc= 0.178 USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.479) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -136:sc= -1.66! (180deg=-4.37!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.5!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 50 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.29) USER MOD Single : A 52 ASN : amide:sc= 0.528 K(o=0.53,f=-5.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 42:sc= 0.0887 USER MOD Single : A 66 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.3) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 83:sc= 0.152 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.0429 (180deg=-0.395) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.07) USER MOD Single : A 83 TYR OH : rot -83:sc= 0.102 USER MOD Single : A 86 TYR OH : rot 104:sc= -0.82! USER MOD Single : A 89 SER OG : rot -28:sc= 0.105 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 0:sc= -0.203 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.672! K(o=-0.67!,f=-0.035) USER MOD Single : A 99 SER OG : rot -56:sc= 0.258 USER MOD Single : A 102 TYR OH : rot -136:sc= 1.04 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -85:sc= 0.83 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -5.192 10.340 8.044 1.00 0.00 N ATOM 44 CA PRO A 4 -4.174 9.851 8.978 1.00 0.00 C ATOM 45 C PRO A 4 -3.408 10.991 9.639 1.00 0.00 C ATOM 46 O PRO A 4 -3.164 12.030 9.022 1.00 0.00 O ATOM 47 CB PRO A 4 -3.234 9.027 8.090 1.00 0.00 C ATOM 48 CG PRO A 4 -3.444 9.562 6.716 1.00 0.00 C ATOM 49 CD PRO A 4 -4.886 9.971 6.653 1.00 0.00 C ATOM 0 HA PRO A 4 -4.614 9.282 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.196 9.137 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.471 7.964 8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.788 10.411 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.219 8.806 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.038 10.808 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.521 9.157 6.304 1.00 0.00 H new ATOM 57 N SER A 5 -3.040 10.800 10.892 1.00 0.00 N ATOM 58 CA SER A 5 -2.285 11.801 11.623 1.00 0.00 C ATOM 59 C SER A 5 -0.969 11.213 12.119 1.00 0.00 C ATOM 60 O SER A 5 0.024 11.925 12.266 1.00 0.00 O ATOM 61 CB SER A 5 -3.116 12.332 12.795 1.00 0.00 C ATOM 62 OG SER A 5 -2.467 13.408 13.449 1.00 0.00 O ATOM 0 H SER A 5 -3.252 9.958 11.427 1.00 0.00 H new ATOM 0 HA SER A 5 -2.058 12.631 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.090 12.660 12.432 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.296 11.528 13.508 1.00 0.00 H new ATOM 0 HG SER A 5 -3.024 13.724 14.190 1.00 0.00 H new ATOM 68 N SER A 6 -0.962 9.909 12.352 1.00 0.00 N ATOM 69 CA SER A 6 0.214 9.220 12.838 1.00 0.00 C ATOM 70 C SER A 6 1.308 9.142 11.770 1.00 0.00 C ATOM 71 O SER A 6 2.309 9.858 11.840 1.00 0.00 O ATOM 72 CB SER A 6 -0.194 7.825 13.299 1.00 0.00 C ATOM 73 OG SER A 6 -0.904 7.144 12.275 1.00 0.00 O ATOM 0 H SER A 6 -1.771 9.304 12.209 1.00 0.00 H new ATOM 0 HA SER A 6 0.632 9.780 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.693 7.254 13.575 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.815 7.899 14.191 1.00 0.00 H new ATOM 0 HG SER A 6 -1.155 6.251 12.590 1.00 0.00 H new ATOM 79 N ALA A 7 1.102 8.286 10.778 1.00 0.00 N ATOM 80 CA ALA A 7 2.098 8.050 9.744 1.00 0.00 C ATOM 81 C ALA A 7 1.847 8.916 8.517 1.00 0.00 C ATOM 82 O ALA A 7 0.840 9.623 8.427 1.00 0.00 O ATOM 83 CB ALA A 7 2.112 6.581 9.354 1.00 0.00 C ATOM 0 H ALA A 7 0.247 7.740 10.668 1.00 0.00 H new ATOM 0 HA ALA A 7 3.071 8.323 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.861 6.417 8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.354 5.975 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.131 6.296 8.975 1.00 0.00 H new ATOM 89 N SER A 8 2.777 8.844 7.573 1.00 0.00 N ATOM 90 CA SER A 8 2.702 9.619 6.344 1.00 0.00 C ATOM 91 C SER A 8 1.767 8.961 5.338 1.00 0.00 C ATOM 92 O SER A 8 1.360 9.580 4.358 1.00 0.00 O ATOM 93 CB SER A 8 4.096 9.749 5.737 1.00 0.00 C ATOM 94 OG SER A 8 5.011 10.285 6.676 1.00 0.00 O ATOM 0 H SER A 8 3.602 8.248 7.639 1.00 0.00 H new ATOM 0 HA SER A 8 2.308 10.607 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.443 8.771 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.055 10.391 4.857 1.00 0.00 H new ATOM 0 HG SER A 8 5.927 10.101 6.382 1.00 0.00 H new ATOM 100 N VAL A 9 1.440 7.700 5.570 1.00 0.00 N ATOM 101 CA VAL A 9 0.589 6.959 4.663 1.00 0.00 C ATOM 102 C VAL A 9 -0.374 6.072 5.445 1.00 0.00 C ATOM 103 O VAL A 9 -0.079 5.658 6.569 1.00 0.00 O ATOM 104 CB VAL A 9 1.443 6.121 3.689 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.515 5.379 4.449 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.600 5.148 2.870 1.00 0.00 C ATOM 0 H VAL A 9 1.754 7.170 6.383 1.00 0.00 H new ATOM 0 HA VAL A 9 0.001 7.666 4.077 1.00 0.00 H new ATOM 0 HB VAL A 9 1.909 6.811 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.113 4.790 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.157 6.094 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.051 4.716 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.246 4.581 2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.082 4.462 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.132 5.704 2.284 1.00 0.00 H new ATOM 116 N GLN A 10 -1.527 5.817 4.853 1.00 0.00 N ATOM 117 CA GLN A 10 -2.584 5.052 5.483 1.00 0.00 C ATOM 118 C GLN A 10 -3.322 4.218 4.444 1.00 0.00 C ATOM 119 O GLN A 10 -3.738 4.733 3.406 1.00 0.00 O ATOM 120 CB GLN A 10 -3.562 6.011 6.158 1.00 0.00 C ATOM 121 CG GLN A 10 -4.857 5.361 6.601 1.00 0.00 C ATOM 122 CD GLN A 10 -5.906 6.378 6.986 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.017 6.766 8.148 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.682 6.821 6.007 1.00 0.00 N ATOM 0 H GLN A 10 -1.756 6.139 3.913 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.149 4.383 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.076 6.458 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.793 6.823 5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.240 4.734 5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.660 4.706 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.555 6.471 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.407 7.512 6.203 1.00 0.00 H new ATOM 133 N LEU A 11 -3.466 2.934 4.711 1.00 0.00 N ATOM 134 CA LEU A 11 -4.294 2.075 3.881 1.00 0.00 C ATOM 135 C LEU A 11 -5.759 2.437 4.070 1.00 0.00 C ATOM 136 O LEU A 11 -6.214 2.671 5.193 1.00 0.00 O ATOM 137 CB LEU A 11 -4.095 0.611 4.255 1.00 0.00 C ATOM 138 CG LEU A 11 -5.027 -0.361 3.540 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.618 -0.525 2.084 1.00 0.00 C ATOM 140 CD2 LEU A 11 -5.040 -1.695 4.259 1.00 0.00 C ATOM 0 H LEU A 11 -3.020 2.461 5.497 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.003 2.220 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.064 0.331 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.235 0.503 5.331 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.038 0.046 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.296 -1.223 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.665 0.441 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.600 -0.911 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.709 -2.382 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.032 -2.111 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.388 -1.553 5.282 1.00 0.00 H new ATOM 152 N ASP A 12 -6.496 2.487 2.974 1.00 0.00 N ATOM 153 CA ASP A 12 -7.906 2.820 3.035 1.00 0.00 C ATOM 154 C ASP A 12 -8.736 1.547 3.120 1.00 0.00 C ATOM 155 O ASP A 12 -9.606 1.428 3.984 1.00 0.00 O ATOM 156 CB ASP A 12 -8.314 3.641 1.815 1.00 0.00 C ATOM 157 CG ASP A 12 -9.381 4.668 2.138 1.00 0.00 C ATOM 158 OD1 ASP A 12 -9.046 5.701 2.753 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.560 4.451 1.781 1.00 0.00 O ATOM 0 H ASP A 12 -6.142 2.302 2.035 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.087 3.420 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.437 4.147 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.682 2.972 1.037 1.00 0.00 H new ATOM 164 N SER A 13 -8.442 0.596 2.227 1.00 0.00 N ATOM 165 CA SER A 13 -9.116 -0.710 2.204 1.00 0.00 C ATOM 166 C SER A 13 -8.679 -1.549 1.012 1.00 0.00 C ATOM 167 O SER A 13 -8.138 -1.035 0.030 1.00 0.00 O ATOM 168 CB SER A 13 -10.644 -0.542 2.186 1.00 0.00 C ATOM 169 OG SER A 13 -11.049 0.390 1.197 1.00 0.00 O ATOM 0 H SER A 13 -7.733 0.707 1.502 1.00 0.00 H new ATOM 0 HA SER A 13 -8.826 -1.232 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.116 -1.506 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.987 -0.208 3.165 1.00 0.00 H new ATOM 0 HG SER A 13 -12.025 0.475 1.208 1.00 0.00 H new ATOM 175 N TYR A 14 -8.904 -2.849 1.138 1.00 0.00 N ATOM 176 CA TYR A 14 -8.617 -3.815 0.092 1.00 0.00 C ATOM 177 C TYR A 14 -9.496 -5.043 0.305 1.00 0.00 C ATOM 178 O TYR A 14 -10.008 -5.258 1.406 1.00 0.00 O ATOM 179 CB TYR A 14 -7.133 -4.192 0.106 1.00 0.00 C ATOM 180 CG TYR A 14 -6.673 -4.911 1.353 1.00 0.00 C ATOM 181 CD1 TYR A 14 -6.911 -6.259 1.508 1.00 0.00 C ATOM 182 CD2 TYR A 14 -5.975 -4.252 2.349 1.00 0.00 C ATOM 183 CE1 TYR A 14 -6.476 -6.945 2.620 1.00 0.00 C ATOM 184 CE2 TYR A 14 -5.538 -4.925 3.476 1.00 0.00 C ATOM 185 CZ TYR A 14 -5.791 -6.272 3.606 1.00 0.00 C ATOM 186 OH TYR A 14 -5.351 -6.951 4.717 1.00 0.00 O ATOM 0 H TYR A 14 -9.296 -3.266 1.982 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.836 -3.381 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.925 -4.823 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.541 -3.284 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.452 -6.791 0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.768 -3.197 2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.671 -8.003 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.001 -4.396 4.250 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.802 -7.820 4.769 1.00 0.00 H new ATOM 196 N ASN A 15 -9.688 -5.835 -0.737 1.00 0.00 N ATOM 197 CA ASN A 15 -10.522 -7.023 -0.640 1.00 0.00 C ATOM 198 C ASN A 15 -10.064 -8.078 -1.640 1.00 0.00 C ATOM 199 O ASN A 15 -9.316 -7.776 -2.574 1.00 0.00 O ATOM 200 CB ASN A 15 -11.992 -6.651 -0.867 1.00 0.00 C ATOM 201 CG ASN A 15 -12.943 -7.808 -0.626 1.00 0.00 C ATOM 202 OD1 ASN A 15 -13.353 -8.492 -1.560 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.280 -8.047 0.632 1.00 0.00 N ATOM 0 H ASN A 15 -9.279 -5.678 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.424 -7.445 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.258 -5.826 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.116 -6.293 -1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.903 -8.824 0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.917 -7.454 1.379 1.00 0.00 H new ATOM 210 N TYR A 16 -10.519 -9.304 -1.435 1.00 0.00 N ATOM 211 CA TYR A 16 -10.084 -10.445 -2.229 1.00 0.00 C ATOM 212 C TYR A 16 -11.263 -11.015 -3.016 1.00 0.00 C ATOM 213 O TYR A 16 -12.389 -11.061 -2.523 1.00 0.00 O ATOM 214 CB TYR A 16 -9.504 -11.510 -1.299 1.00 0.00 C ATOM 215 CG TYR A 16 -8.477 -12.427 -1.927 1.00 0.00 C ATOM 216 CD1 TYR A 16 -7.299 -11.921 -2.464 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.669 -13.803 -1.947 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.348 -12.760 -3.012 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.723 -14.647 -2.497 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.563 -14.122 -3.027 1.00 0.00 C ATOM 221 OH TYR A 16 -5.613 -14.961 -3.571 1.00 0.00 O ATOM 0 H TYR A 16 -11.201 -9.537 -0.713 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.318 -10.127 -2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.048 -11.012 -0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.323 -12.118 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.124 -10.855 -2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.572 -14.220 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.439 -12.350 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.891 -15.714 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.918 -15.890 -3.502 1.00 0.00 H new ATOM 231 N ASP A 17 -10.991 -11.462 -4.227 1.00 0.00 N ATOM 232 CA ASP A 17 -12.034 -11.939 -5.131 1.00 0.00 C ATOM 233 C ASP A 17 -11.505 -13.109 -5.949 1.00 0.00 C ATOM 234 O ASP A 17 -10.765 -12.906 -6.912 1.00 0.00 O ATOM 235 CB ASP A 17 -12.470 -10.802 -6.064 1.00 0.00 C ATOM 236 CG ASP A 17 -13.717 -11.132 -6.860 1.00 0.00 C ATOM 237 OD1 ASP A 17 -13.671 -12.041 -7.714 1.00 0.00 O ATOM 238 OD2 ASP A 17 -14.751 -10.462 -6.647 1.00 0.00 O ATOM 0 H ASP A 17 -10.049 -11.507 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.894 -12.270 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.650 -9.904 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.657 -10.573 -6.752 1.00 0.00 H new ATOM 243 N GLY A 18 -11.878 -14.330 -5.567 1.00 0.00 N ATOM 244 CA GLY A 18 -11.258 -15.507 -6.160 1.00 0.00 C ATOM 245 C GLY A 18 -9.792 -15.541 -5.800 1.00 0.00 C ATOM 246 O GLY A 18 -9.424 -15.980 -4.713 1.00 0.00 O ATOM 0 H GLY A 18 -12.591 -14.525 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.752 -16.410 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.377 -15.487 -7.243 1.00 0.00 H new ATOM 250 N SER A 19 -8.957 -15.072 -6.708 1.00 0.00 N ATOM 251 CA SER A 19 -7.633 -14.623 -6.343 1.00 0.00 C ATOM 252 C SER A 19 -7.374 -13.291 -7.035 1.00 0.00 C ATOM 253 O SER A 19 -6.800 -13.229 -8.121 1.00 0.00 O ATOM 254 CB SER A 19 -6.586 -15.664 -6.743 1.00 0.00 C ATOM 255 OG SER A 19 -6.774 -16.869 -6.019 1.00 0.00 O ATOM 0 H SER A 19 -9.175 -14.993 -7.701 1.00 0.00 H new ATOM 0 HA SER A 19 -7.564 -14.493 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.654 -15.862 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.586 -15.273 -6.554 1.00 0.00 H new ATOM 0 HG SER A 19 -7.519 -16.761 -5.392 1.00 0.00 H new ATOM 261 N THR A 20 -7.815 -12.224 -6.386 1.00 0.00 N ATOM 262 CA THR A 20 -7.663 -10.883 -6.911 1.00 0.00 C ATOM 263 C THR A 20 -7.461 -9.896 -5.772 1.00 0.00 C ATOM 264 O THR A 20 -8.119 -9.999 -4.738 1.00 0.00 O ATOM 265 CB THR A 20 -8.896 -10.465 -7.739 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.241 -11.507 -8.662 1.00 0.00 O ATOM 267 CG2 THR A 20 -8.628 -9.180 -8.505 1.00 0.00 C ATOM 0 H THR A 20 -8.287 -12.267 -5.483 1.00 0.00 H new ATOM 0 HA THR A 20 -6.789 -10.876 -7.562 1.00 0.00 H new ATOM 0 HB THR A 20 -9.724 -10.294 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.894 -12.108 -8.247 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.513 -8.908 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.392 -8.380 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.787 -9.329 -9.182 1.00 0.00 H new ATOM 275 N PHE A 21 -6.556 -8.956 -5.954 1.00 0.00 N ATOM 276 CA PHE A 21 -6.408 -7.849 -5.026 1.00 0.00 C ATOM 277 C PHE A 21 -7.201 -6.681 -5.563 1.00 0.00 C ATOM 278 O PHE A 21 -7.241 -6.454 -6.768 1.00 0.00 O ATOM 279 CB PHE A 21 -4.934 -7.450 -4.877 1.00 0.00 C ATOM 280 CG PHE A 21 -4.669 -6.517 -3.727 1.00 0.00 C ATOM 281 CD1 PHE A 21 -4.996 -5.171 -3.804 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.100 -6.994 -2.565 1.00 0.00 C ATOM 283 CE1 PHE A 21 -4.757 -4.323 -2.738 1.00 0.00 C ATOM 284 CE2 PHE A 21 -3.859 -6.153 -1.494 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.188 -4.815 -1.582 1.00 0.00 C ATOM 0 H PHE A 21 -5.907 -8.935 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.774 -8.146 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.335 -8.351 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.601 -6.977 -5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.442 -4.781 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.839 -8.039 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.016 -3.277 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.414 -6.542 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.000 -4.155 -0.748 1.00 0.00 H new ATOM 295 N SER A 22 -7.856 -5.970 -4.688 1.00 0.00 N ATOM 296 CA SER A 22 -8.553 -4.768 -5.085 1.00 0.00 C ATOM 297 C SER A 22 -8.702 -3.842 -3.894 1.00 0.00 C ATOM 298 O SER A 22 -9.186 -4.251 -2.844 1.00 0.00 O ATOM 299 CB SER A 22 -9.913 -5.120 -5.685 1.00 0.00 C ATOM 300 OG SER A 22 -10.737 -5.790 -4.742 1.00 0.00 O ATOM 0 H SER A 22 -7.925 -6.197 -3.696 1.00 0.00 H new ATOM 0 HA SER A 22 -7.973 -4.251 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.410 -4.211 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.773 -5.752 -6.562 1.00 0.00 H new ATOM 0 HG SER A 22 -10.517 -5.482 -3.838 1.00 0.00 H new ATOM 306 N GLY A 23 -8.257 -2.611 -4.049 1.00 0.00 N ATOM 307 CA GLY A 23 -8.332 -1.665 -2.962 1.00 0.00 C ATOM 308 C GLY A 23 -7.702 -0.340 -3.316 1.00 0.00 C ATOM 309 O GLY A 23 -7.500 -0.037 -4.497 1.00 0.00 O ATOM 0 H GLY A 23 -7.845 -2.248 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.376 -1.508 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.834 -2.080 -2.086 1.00 0.00 H new ATOM 313 N LYS A 24 -7.386 0.451 -2.303 1.00 0.00 N ATOM 314 CA LYS A 24 -6.838 1.777 -2.520 1.00 0.00 C ATOM 315 C LYS A 24 -6.114 2.282 -1.268 1.00 0.00 C ATOM 316 O LYS A 24 -6.309 1.755 -0.168 1.00 0.00 O ATOM 317 CB LYS A 24 -7.947 2.748 -2.948 1.00 0.00 C ATOM 318 CG LYS A 24 -9.031 2.969 -1.897 1.00 0.00 C ATOM 319 CD LYS A 24 -10.068 1.853 -1.871 1.00 0.00 C ATOM 320 CE LYS A 24 -11.130 2.047 -2.944 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.918 3.291 -2.722 1.00 0.00 N ATOM 0 H LYS A 24 -7.500 0.196 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.104 1.720 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.496 3.709 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.412 2.371 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.566 3.049 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.531 3.918 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.573 0.893 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.543 1.820 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.654 2.088 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.801 1.188 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.771 3.273 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.195 3.352 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.339 4.118 -2.972 1.00 0.00 H new ATOM 335 N ILE A 25 -5.281 3.303 -1.447 1.00 0.00 N ATOM 336 CA ILE A 25 -4.396 3.788 -0.394 1.00 0.00 C ATOM 337 C ILE A 25 -4.473 5.317 -0.275 1.00 0.00 C ATOM 338 O ILE A 25 -4.832 6.007 -1.230 1.00 0.00 O ATOM 339 CB ILE A 25 -2.930 3.376 -0.679 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.854 1.890 -1.050 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.045 3.659 0.530 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.481 1.438 -1.495 1.00 0.00 C ATOM 0 H ILE A 25 -5.201 3.816 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.723 3.338 0.543 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.568 3.968 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.160 1.295 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.568 1.688 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.020 3.362 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.073 4.724 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.409 3.093 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.509 0.376 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.179 2.005 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.764 1.606 -0.691 1.00 0.00 H new ATOM 354 N TYR A 26 -4.123 5.826 0.900 1.00 0.00 N ATOM 355 CA TYR A 26 -4.149 7.259 1.190 1.00 0.00 C ATOM 356 C TYR A 26 -2.777 7.698 1.712 1.00 0.00 C ATOM 357 O TYR A 26 -2.354 7.242 2.771 1.00 0.00 O ATOM 358 CB TYR A 26 -5.216 7.524 2.265 1.00 0.00 C ATOM 359 CG TYR A 26 -5.506 8.986 2.553 1.00 0.00 C ATOM 360 CD1 TYR A 26 -4.518 9.832 3.033 1.00 0.00 C ATOM 361 CD2 TYR A 26 -6.782 9.510 2.368 1.00 0.00 C ATOM 362 CE1 TYR A 26 -4.781 11.155 3.311 1.00 0.00 C ATOM 363 CE2 TYR A 26 -7.054 10.838 2.644 1.00 0.00 C ATOM 364 CZ TYR A 26 -6.049 11.656 3.116 1.00 0.00 C ATOM 365 OH TYR A 26 -6.305 12.982 3.389 1.00 0.00 O ATOM 0 H TYR A 26 -3.811 5.255 1.685 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.385 7.819 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.144 7.042 1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.900 7.045 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.522 9.446 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.572 8.870 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.996 11.797 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.048 11.232 2.491 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.876 13.048 4.183 1.00 0.00 H new ATOM 375 N VAL A 27 -2.065 8.563 0.993 1.00 0.00 N ATOM 376 CA VAL A 27 -0.758 9.008 1.481 1.00 0.00 C ATOM 377 C VAL A 27 -0.636 10.533 1.485 1.00 0.00 C ATOM 378 O VAL A 27 -1.255 11.228 0.675 1.00 0.00 O ATOM 379 CB VAL A 27 0.412 8.394 0.665 1.00 0.00 C ATOM 380 CG1 VAL A 27 0.031 7.059 0.064 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.913 9.331 -0.420 1.00 0.00 C ATOM 0 H VAL A 27 -2.356 8.960 0.100 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.687 8.651 2.508 1.00 0.00 H new ATOM 0 HB VAL A 27 1.227 8.237 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.874 6.660 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.235 6.364 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.821 7.190 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.731 8.856 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.101 9.554 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.268 10.256 0.034 1.00 0.00 H new ATOM 391 N LYS A 28 0.159 11.033 2.425 1.00 0.00 N ATOM 392 CA LYS A 28 0.485 12.445 2.514 1.00 0.00 C ATOM 393 C LYS A 28 1.579 12.802 1.522 1.00 0.00 C ATOM 394 O LYS A 28 2.399 11.963 1.149 1.00 0.00 O ATOM 395 CB LYS A 28 0.954 12.801 3.923 1.00 0.00 C ATOM 396 CG LYS A 28 -0.058 12.473 4.997 1.00 0.00 C ATOM 397 CD LYS A 28 0.393 12.968 6.360 1.00 0.00 C ATOM 398 CE LYS A 28 -0.699 12.785 7.397 1.00 0.00 C ATOM 399 NZ LYS A 28 -0.313 13.339 8.720 1.00 0.00 N ATOM 0 H LYS A 28 0.596 10.463 3.149 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.416 13.011 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.881 12.268 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.182 13.866 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.017 12.925 4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.214 11.395 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.287 12.426 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.665 14.022 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.611 13.273 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.925 11.724 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.169 13.600 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.220 12.623 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.280 14.182 8.584 1.00 0.00 H new ATOM 413 N ASN A 29 1.578 14.043 1.089 1.00 0.00 N ATOM 414 CA ASN A 29 2.594 14.527 0.174 1.00 0.00 C ATOM 415 C ASN A 29 3.731 15.199 0.935 1.00 0.00 C ATOM 416 O ASN A 29 3.730 16.414 1.122 1.00 0.00 O ATOM 417 CB ASN A 29 1.983 15.494 -0.844 1.00 0.00 C ATOM 418 CG ASN A 29 1.135 14.775 -1.870 1.00 0.00 C ATOM 419 OD1 ASN A 29 1.416 13.628 -2.220 1.00 0.00 O ATOM 420 ND2 ASN A 29 0.095 15.436 -2.352 1.00 0.00 N ATOM 0 H ASN A 29 0.883 14.740 1.356 1.00 0.00 H new ATOM 0 HA ASN A 29 3.003 13.672 -0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.373 16.232 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.780 16.039 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.513 14.997 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.099 16.385 -2.032 1.00 0.00 H new ATOM 427 N ILE A 30 4.687 14.392 1.394 1.00 0.00 N ATOM 428 CA ILE A 30 5.885 14.918 2.057 1.00 0.00 C ATOM 429 C ILE A 30 6.676 15.735 1.048 1.00 0.00 C ATOM 430 O ILE A 30 6.971 16.910 1.252 1.00 0.00 O ATOM 431 CB ILE A 30 6.808 13.795 2.589 1.00 0.00 C ATOM 432 CG1 ILE A 30 6.007 12.578 3.063 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.683 14.322 3.714 1.00 0.00 C ATOM 434 CD1 ILE A 30 5.019 12.859 4.174 1.00 0.00 C ATOM 0 H ILE A 30 4.658 13.375 1.321 1.00 0.00 H new ATOM 0 HA ILE A 30 5.556 15.518 2.905 1.00 0.00 H new ATOM 0 HB ILE A 30 7.443 13.470 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.466 12.163 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.704 11.812 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.327 13.522 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.298 15.142 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.053 14.680 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.501 11.938 4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.550 13.242 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.293 13.599 3.837 1.00 0.00 H new ATOM 446 N ALA A 31 7.017 15.071 -0.040 1.00 0.00 N ATOM 447 CA ALA A 31 7.545 15.712 -1.212 1.00 0.00 C ATOM 448 C ALA A 31 6.525 15.514 -2.314 1.00 0.00 C ATOM 449 O ALA A 31 5.334 15.364 -2.028 1.00 0.00 O ATOM 450 CB ALA A 31 8.891 15.114 -1.589 1.00 0.00 C ATOM 0 H ALA A 31 6.931 14.058 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 31 7.715 16.774 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.274 15.613 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.593 15.250 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.772 14.050 -1.792 1.00 0.00 H new ATOM 456 N TYR A 32 6.954 15.460 -3.551 1.00 0.00 N ATOM 457 CA TYR A 32 6.011 15.277 -4.630 1.00 0.00 C ATOM 458 C TYR A 32 6.184 13.922 -5.298 1.00 0.00 C ATOM 459 O TYR A 32 5.240 13.132 -5.332 1.00 0.00 O ATOM 460 CB TYR A 32 6.146 16.412 -5.624 1.00 0.00 C ATOM 461 CG TYR A 32 5.053 16.435 -6.669 1.00 0.00 C ATOM 462 CD1 TYR A 32 3.732 16.647 -6.304 1.00 0.00 C ATOM 463 CD2 TYR A 32 5.340 16.251 -8.016 1.00 0.00 C ATOM 464 CE1 TYR A 32 2.724 16.673 -7.248 1.00 0.00 C ATOM 465 CE2 TYR A 32 4.338 16.275 -8.968 1.00 0.00 C ATOM 466 CZ TYR A 32 3.031 16.486 -8.578 1.00 0.00 C ATOM 467 OH TYR A 32 2.030 16.516 -9.525 1.00 0.00 O ATOM 0 H TYR A 32 7.931 15.538 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 32 5.002 15.295 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.141 17.359 -5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.112 16.334 -6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.487 16.794 -5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.362 16.087 -8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.701 16.839 -6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.577 16.129 -10.011 1.00 0.00 H new ATOM 0 HH TYR A 32 2.416 16.368 -10.414 1.00 0.00 H new ATOM 477 N SER A 33 7.385 13.644 -5.790 1.00 0.00 N ATOM 478 CA SER A 33 7.661 12.384 -6.471 1.00 0.00 C ATOM 479 C SER A 33 7.538 11.214 -5.497 1.00 0.00 C ATOM 480 O SER A 33 8.338 11.080 -4.564 1.00 0.00 O ATOM 481 CB SER A 33 9.062 12.409 -7.091 1.00 0.00 C ATOM 482 OG SER A 33 9.333 11.219 -7.815 1.00 0.00 O ATOM 0 H SER A 33 8.185 14.274 -5.730 1.00 0.00 H new ATOM 0 HA SER A 33 6.928 12.254 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.151 13.268 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.806 12.535 -6.305 1.00 0.00 H new ATOM 0 HG SER A 33 10.233 11.268 -8.199 1.00 0.00 H new ATOM 488 N LYS A 34 6.518 10.391 -5.698 1.00 0.00 N ATOM 489 CA LYS A 34 6.290 9.244 -4.853 1.00 0.00 C ATOM 490 C LYS A 34 6.511 7.965 -5.627 1.00 0.00 C ATOM 491 O LYS A 34 6.611 7.973 -6.855 1.00 0.00 O ATOM 492 CB LYS A 34 4.860 9.261 -4.336 1.00 0.00 C ATOM 493 CG LYS A 34 4.482 10.550 -3.659 1.00 0.00 C ATOM 494 CD LYS A 34 5.213 10.742 -2.343 1.00 0.00 C ATOM 495 CE LYS A 34 5.311 12.212 -1.988 1.00 0.00 C ATOM 496 NZ LYS A 34 4.102 12.971 -2.416 1.00 0.00 N ATOM 0 H LYS A 34 5.835 10.504 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 34 6.990 9.288 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.179 9.084 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.726 8.438 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.705 11.386 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.407 10.563 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.690 10.207 -1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.213 10.313 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.443 12.317 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.195 12.641 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.164 13.948 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.046 12.978 -3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.251 12.517 -2.027 1.00 0.00 H new ATOM 510 N LYS A 35 6.580 6.874 -4.903 1.00 0.00 N ATOM 511 CA LYS A 35 6.613 5.559 -5.505 1.00 0.00 C ATOM 512 C LYS A 35 6.009 4.569 -4.532 1.00 0.00 C ATOM 513 O LYS A 35 6.551 4.306 -3.457 1.00 0.00 O ATOM 514 CB LYS A 35 8.033 5.150 -5.926 1.00 0.00 C ATOM 515 CG LYS A 35 9.032 5.082 -4.790 1.00 0.00 C ATOM 516 CD LYS A 35 10.425 4.677 -5.262 1.00 0.00 C ATOM 517 CE LYS A 35 11.097 5.778 -6.075 1.00 0.00 C ATOM 518 NZ LYS A 35 10.553 5.885 -7.456 1.00 0.00 N ATOM 0 H LYS A 35 6.615 6.870 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 35 6.025 5.572 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.987 4.175 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.396 5.859 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.086 6.054 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.682 4.368 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.044 4.435 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.354 3.773 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.969 6.732 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.169 5.585 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.337 5.995 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.017 5.024 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.924 6.711 -7.518 1.00 0.00 H new ATOM 532 N VAL A 36 4.855 4.060 -4.887 1.00 0.00 N ATOM 533 CA VAL A 36 4.110 3.220 -3.987 1.00 0.00 C ATOM 534 C VAL A 36 4.179 1.782 -4.431 1.00 0.00 C ATOM 535 O VAL A 36 3.641 1.396 -5.473 1.00 0.00 O ATOM 536 CB VAL A 36 2.657 3.684 -3.866 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.866 2.742 -3.006 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.623 5.063 -3.255 1.00 0.00 C ATOM 0 H VAL A 36 4.413 4.214 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 36 4.564 3.299 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 36 2.214 3.703 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.836 3.092 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.881 1.746 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.306 2.703 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.589 5.397 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.080 5.034 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.175 5.756 -3.890 1.00 0.00 H new ATOM 548 N THR A 37 4.851 1.002 -3.626 1.00 0.00 N ATOM 549 CA THR A 37 5.144 -0.365 -3.969 1.00 0.00 C ATOM 550 C THR A 37 4.524 -1.313 -2.963 1.00 0.00 C ATOM 551 O THR A 37 4.951 -1.391 -1.809 1.00 0.00 O ATOM 552 CB THR A 37 6.665 -0.587 -4.073 1.00 0.00 C ATOM 553 OG1 THR A 37 7.342 0.012 -2.957 1.00 0.00 O ATOM 554 CG2 THR A 37 7.188 0.015 -5.363 1.00 0.00 C ATOM 0 H THR A 37 5.210 1.295 -2.717 1.00 0.00 H new ATOM 0 HA THR A 37 4.706 -0.575 -4.945 1.00 0.00 H new ATOM 0 HB THR A 37 6.857 -1.660 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.082 0.566 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.264 -0.146 -5.430 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.697 -0.461 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.980 1.085 -5.376 1.00 0.00 H new ATOM 562 N VAL A 38 3.486 -1.998 -3.399 1.00 0.00 N ATOM 563 CA VAL A 38 2.851 -3.007 -2.577 1.00 0.00 C ATOM 564 C VAL A 38 3.696 -4.249 -2.567 1.00 0.00 C ATOM 565 O VAL A 38 3.820 -4.923 -3.584 1.00 0.00 O ATOM 566 CB VAL A 38 1.443 -3.406 -3.071 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.930 -4.608 -2.276 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.470 -2.259 -2.939 1.00 0.00 C ATOM 0 H VAL A 38 3.064 -1.874 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 38 2.750 -2.569 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 38 1.521 -3.670 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.063 -4.882 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.609 -5.450 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.878 -4.350 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.512 -2.572 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.399 -1.961 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.820 -1.415 -3.534 1.00 0.00 H new ATOM 578 N VAL A 39 4.283 -4.545 -1.439 1.00 0.00 N ATOM 579 CA VAL A 39 4.945 -5.818 -1.289 1.00 0.00 C ATOM 580 C VAL A 39 4.075 -6.731 -0.484 1.00 0.00 C ATOM 581 O VAL A 39 3.813 -6.465 0.690 1.00 0.00 O ATOM 582 CB VAL A 39 6.338 -5.740 -0.629 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.410 -5.565 -1.691 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.410 -4.608 0.383 1.00 0.00 C ATOM 0 H VAL A 39 4.319 -3.936 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 39 5.106 -6.196 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 39 6.511 -6.675 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.389 -5.511 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.386 -6.413 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.226 -4.645 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.404 -4.581 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.211 -3.660 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.667 -4.770 1.163 1.00 0.00 H new ATOM 594 N TYR A 40 3.587 -7.783 -1.107 1.00 0.00 N ATOM 595 CA TYR A 40 2.896 -8.789 -0.354 1.00 0.00 C ATOM 596 C TYR A 40 3.721 -10.022 -0.258 1.00 0.00 C ATOM 597 O TYR A 40 4.482 -10.367 -1.154 1.00 0.00 O ATOM 598 CB TYR A 40 1.506 -9.134 -0.890 1.00 0.00 C ATOM 599 CG TYR A 40 1.416 -9.894 -2.203 1.00 0.00 C ATOM 600 CD1 TYR A 40 2.061 -11.100 -2.443 1.00 0.00 C ATOM 601 CD2 TYR A 40 0.630 -9.387 -3.185 1.00 0.00 C ATOM 602 CE1 TYR A 40 1.915 -11.762 -3.647 1.00 0.00 C ATOM 603 CE2 TYR A 40 0.459 -10.033 -4.398 1.00 0.00 C ATOM 604 CZ TYR A 40 1.110 -11.225 -4.624 1.00 0.00 C ATOM 605 OH TYR A 40 0.941 -11.894 -5.816 1.00 0.00 O ATOM 0 H TYR A 40 3.657 -7.956 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 40 2.740 -8.358 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.991 -9.720 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.952 -8.203 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.688 -11.528 -1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.121 -8.450 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.430 -12.695 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.178 -9.606 -5.159 1.00 0.00 H new ATOM 0 HH TYR A 40 0.342 -11.381 -6.397 1.00 0.00 H new ATOM 615 N ALA A 41 3.597 -10.650 0.858 1.00 0.00 N ATOM 616 CA ALA A 41 4.135 -11.941 1.029 1.00 0.00 C ATOM 617 C ALA A 41 3.117 -12.921 0.524 1.00 0.00 C ATOM 618 O ALA A 41 2.096 -13.176 1.168 1.00 0.00 O ATOM 619 CB ALA A 41 4.494 -12.175 2.464 1.00 0.00 C ATOM 0 H ALA A 41 3.117 -10.276 1.677 1.00 0.00 H new ATOM 0 HA ALA A 41 5.060 -12.062 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.908 -13.177 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.234 -11.439 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.602 -12.079 3.083 1.00 0.00 H new ATOM 625 N ASP A 42 3.373 -13.342 -0.696 1.00 0.00 N ATOM 626 CA ASP A 42 2.539 -14.294 -1.433 1.00 0.00 C ATOM 627 C ASP A 42 2.017 -15.430 -0.555 1.00 0.00 C ATOM 628 O ASP A 42 2.524 -15.680 0.540 1.00 0.00 O ATOM 629 CB ASP A 42 3.323 -14.872 -2.614 1.00 0.00 C ATOM 630 CG ASP A 42 4.554 -15.639 -2.184 1.00 0.00 C ATOM 631 OD1 ASP A 42 4.431 -16.845 -1.886 1.00 0.00 O ATOM 632 OD2 ASP A 42 5.652 -15.044 -2.157 1.00 0.00 O ATOM 0 H ASP A 42 4.187 -13.029 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 42 1.671 -13.741 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.672 -15.532 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.620 -14.061 -3.278 1.00 0.00 H new ATOM 637 N GLY A 43 1.020 -16.139 -1.086 1.00 0.00 N ATOM 638 CA GLY A 43 0.224 -17.073 -0.301 1.00 0.00 C ATOM 639 C GLY A 43 1.006 -18.230 0.289 1.00 0.00 C ATOM 640 O GLY A 43 0.427 -19.105 0.932 1.00 0.00 O ATOM 0 H GLY A 43 0.746 -16.080 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.258 -16.527 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.570 -17.473 -0.932 1.00 0.00 H new ATOM 644 N SER A 44 2.311 -18.245 0.071 1.00 0.00 N ATOM 645 CA SER A 44 3.167 -19.242 0.671 1.00 0.00 C ATOM 646 C SER A 44 3.497 -18.860 2.110 1.00 0.00 C ATOM 647 O SER A 44 3.842 -19.728 2.913 1.00 0.00 O ATOM 648 CB SER A 44 4.454 -19.389 -0.140 1.00 0.00 C ATOM 649 OG SER A 44 5.265 -20.450 0.346 1.00 0.00 O ATOM 0 H SER A 44 2.798 -17.572 -0.521 1.00 0.00 H new ATOM 0 HA SER A 44 2.640 -20.196 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.206 -19.571 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.016 -18.456 -0.103 1.00 0.00 H new ATOM 0 HG SER A 44 5.769 -20.144 1.129 1.00 0.00 H new ATOM 655 N ASP A 45 3.386 -17.550 2.420 1.00 0.00 N ATOM 656 CA ASP A 45 3.690 -17.022 3.751 1.00 0.00 C ATOM 657 C ASP A 45 5.199 -16.936 3.885 1.00 0.00 C ATOM 658 O ASP A 45 5.785 -17.309 4.898 1.00 0.00 O ATOM 659 CB ASP A 45 3.070 -17.895 4.864 1.00 0.00 C ATOM 660 CG ASP A 45 3.091 -17.253 6.243 1.00 0.00 C ATOM 661 OD1 ASP A 45 2.145 -16.509 6.569 1.00 0.00 O ATOM 662 OD2 ASP A 45 4.026 -17.524 7.025 1.00 0.00 O ATOM 0 H ASP A 45 3.084 -16.839 1.753 1.00 0.00 H new ATOM 0 HA ASP A 45 3.251 -16.031 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.038 -18.125 4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.606 -18.843 4.908 1.00 0.00 H new ATOM 667 N ASN A 46 5.829 -16.441 2.826 1.00 0.00 N ATOM 668 CA ASN A 46 7.281 -16.398 2.742 1.00 0.00 C ATOM 669 C ASN A 46 7.704 -15.125 2.055 1.00 0.00 C ATOM 670 O ASN A 46 7.002 -14.639 1.167 1.00 0.00 O ATOM 671 CB ASN A 46 7.823 -17.590 1.942 1.00 0.00 C ATOM 672 CG ASN A 46 7.762 -18.906 2.692 1.00 0.00 C ATOM 673 OD1 ASN A 46 6.763 -19.624 2.635 1.00 0.00 O ATOM 674 ND2 ASN A 46 8.842 -19.241 3.383 1.00 0.00 N ATOM 0 H ASN A 46 5.351 -16.062 2.009 1.00 0.00 H new ATOM 0 HA ASN A 46 7.682 -16.440 3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.255 -17.683 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.857 -17.389 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.867 -20.123 3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.648 -18.617 3.404 1.00 0.00 H new ATOM 681 N TRP A 47 8.837 -14.571 2.449 1.00 0.00 N ATOM 682 CA TRP A 47 9.355 -13.449 1.733 1.00 0.00 C ATOM 683 C TRP A 47 10.756 -13.699 1.197 1.00 0.00 C ATOM 684 O TRP A 47 11.684 -13.975 1.954 1.00 0.00 O ATOM 685 CB TRP A 47 9.336 -12.171 2.531 1.00 0.00 C ATOM 686 CG TRP A 47 8.681 -11.180 1.680 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.947 -10.984 0.366 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.617 -10.325 2.013 1.00 0.00 C ATOM 689 NE1 TRP A 47 8.098 -10.057 -0.148 1.00 0.00 N ATOM 690 CE2 TRP A 47 7.270 -9.642 0.847 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.910 -10.062 3.173 1.00 0.00 C ATOM 692 CZ2 TRP A 47 6.250 -8.740 0.818 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.905 -9.161 3.125 1.00 0.00 C ATOM 694 CH2 TRP A 47 5.573 -8.514 1.961 1.00 0.00 C ATOM 0 H TRP A 47 9.396 -14.880 3.244 1.00 0.00 H new ATOM 0 HA TRP A 47 8.676 -13.322 0.890 1.00 0.00 H new ATOM 0 HB2 TRP A 47 8.793 -12.303 3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 47 10.347 -11.857 2.790 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.721 -11.491 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.084 -9.729 -1.114 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.156 -10.566 4.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.992 -8.222 -0.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.349 -8.944 4.025 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.754 -7.810 1.961 1.00 0.00 H new ATOM 705 N ASN A 48 10.894 -13.606 -0.117 1.00 0.00 N ATOM 706 CA ASN A 48 12.209 -13.594 -0.752 1.00 0.00 C ATOM 707 C ASN A 48 12.677 -12.152 -0.880 1.00 0.00 C ATOM 708 O ASN A 48 13.589 -11.837 -1.644 1.00 0.00 O ATOM 709 CB ASN A 48 12.154 -14.237 -2.140 1.00 0.00 C ATOM 710 CG ASN A 48 13.523 -14.673 -2.637 1.00 0.00 C ATOM 711 OD1 ASN A 48 14.413 -14.996 -1.848 1.00 0.00 O ATOM 712 ND2 ASN A 48 13.700 -14.691 -3.947 1.00 0.00 N ATOM 0 H ASN A 48 10.112 -13.537 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 48 12.903 -14.168 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.490 -15.101 -2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.723 -13.529 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.598 -14.979 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.939 -14.417 -4.568 1.00 0.00 H new ATOM 719 N ASN A 49 12.005 -11.288 -0.124 1.00 0.00 N ATOM 720 CA ASN A 49 12.221 -9.838 -0.154 1.00 0.00 C ATOM 721 C ASN A 49 11.791 -9.234 -1.486 1.00 0.00 C ATOM 722 O ASN A 49 11.944 -8.031 -1.704 1.00 0.00 O ATOM 723 CB ASN A 49 13.689 -9.482 0.121 1.00 0.00 C ATOM 724 CG ASN A 49 14.128 -9.819 1.531 1.00 0.00 C ATOM 725 OD1 ASN A 49 13.335 -9.776 2.471 1.00 0.00 O ATOM 726 ND2 ASN A 49 15.400 -10.151 1.688 1.00 0.00 N ATOM 0 H ASN A 49 11.284 -11.576 0.537 1.00 0.00 H new ATOM 0 HA ASN A 49 11.603 -9.414 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.324 -10.013 -0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.837 -8.416 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.756 -10.383 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.024 -10.174 0.882 1.00 0.00 H new ATOM 733 N ASN A 50 11.224 -10.055 -2.368 1.00 0.00 N ATOM 734 CA ASN A 50 10.942 -9.610 -3.722 1.00 0.00 C ATOM 735 C ASN A 50 10.061 -10.580 -4.486 1.00 0.00 C ATOM 736 O ASN A 50 9.686 -11.632 -3.972 1.00 0.00 O ATOM 737 CB ASN A 50 12.245 -9.466 -4.477 1.00 0.00 C ATOM 738 CG ASN A 50 12.395 -8.098 -5.108 1.00 0.00 C ATOM 739 OD1 ASN A 50 13.065 -7.942 -6.129 1.00 0.00 O ATOM 740 ND2 ASN A 50 11.768 -7.097 -4.506 1.00 0.00 N ATOM 0 H ASN A 50 10.956 -11.019 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 50 10.412 -8.661 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.078 -9.643 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.299 -10.230 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.830 -6.153 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.223 -7.271 -3.661 1.00 0.00 H new ATOM 747 N GLY A 51 9.760 -10.211 -5.733 1.00 0.00 N ATOM 748 CA GLY A 51 8.963 -11.048 -6.608 1.00 0.00 C ATOM 749 C GLY A 51 7.503 -11.021 -6.242 1.00 0.00 C ATOM 750 O GLY A 51 6.771 -11.982 -6.484 1.00 0.00 O ATOM 0 H GLY A 51 10.062 -9.332 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.084 -10.714 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.329 -12.074 -6.561 1.00 0.00 H new ATOM 754 N ASN A 52 7.084 -9.919 -5.649 1.00 0.00 N ATOM 755 CA ASN A 52 5.733 -9.780 -5.141 1.00 0.00 C ATOM 756 C ASN A 52 5.446 -8.322 -4.821 1.00 0.00 C ATOM 757 O ASN A 52 5.071 -7.976 -3.702 1.00 0.00 O ATOM 758 CB ASN A 52 5.570 -10.655 -3.896 1.00 0.00 C ATOM 759 CG ASN A 52 6.800 -10.616 -2.998 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.467 -9.587 -2.860 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.132 -11.747 -2.402 1.00 0.00 N ATOM 0 H ASN A 52 7.670 -9.096 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 52 5.019 -10.107 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.700 -10.321 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.377 -11.684 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.960 -11.786 -1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.560 -12.581 -2.536 1.00 0.00 H new ATOM 768 N ILE A 53 5.607 -7.473 -5.821 1.00 0.00 N ATOM 769 CA ILE A 53 5.494 -6.054 -5.634 1.00 0.00 C ATOM 770 C ILE A 53 4.642 -5.464 -6.731 1.00 0.00 C ATOM 771 O ILE A 53 4.817 -5.746 -7.919 1.00 0.00 O ATOM 772 CB ILE A 53 6.878 -5.359 -5.574 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.741 -3.841 -5.405 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.687 -5.672 -6.815 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.688 -3.065 -6.709 1.00 0.00 C ATOM 0 H ILE A 53 5.819 -7.755 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 53 5.015 -5.879 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 53 7.401 -5.750 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.836 -3.632 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.581 -3.477 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.655 -5.175 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.836 -6.749 -6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.153 -5.318 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.591 -2.001 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.604 -3.240 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.831 -3.397 -7.295 1.00 0.00 H new ATOM 787 N ILE A 54 3.705 -4.671 -6.312 1.00 0.00 N ATOM 788 CA ILE A 54 2.808 -4.007 -7.218 1.00 0.00 C ATOM 789 C ILE A 54 3.105 -2.534 -7.208 1.00 0.00 C ATOM 790 O ILE A 54 3.184 -1.931 -6.135 1.00 0.00 O ATOM 791 CB ILE A 54 1.356 -4.147 -6.772 1.00 0.00 C ATOM 792 CG1 ILE A 54 1.020 -5.557 -6.331 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.407 -3.700 -7.873 1.00 0.00 C ATOM 794 CD1 ILE A 54 0.990 -6.583 -7.447 1.00 0.00 C ATOM 0 H ILE A 54 3.537 -4.462 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 54 2.946 -4.458 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 54 1.229 -3.497 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.750 -5.873 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.047 -5.547 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.623 -3.809 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.600 -2.655 -8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.563 -4.315 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.741 -7.561 -7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.239 -6.298 -8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.968 -6.629 -7.925 1.00 0.00 H new ATOM 806 N ALA A 55 3.272 -1.932 -8.362 1.00 0.00 N ATOM 807 CA ALA A 55 3.287 -0.500 -8.384 1.00 0.00 C ATOM 808 C ALA A 55 1.846 -0.008 -8.394 1.00 0.00 C ATOM 809 O ALA A 55 1.199 0.026 -9.442 1.00 0.00 O ATOM 810 CB ALA A 55 4.052 0.027 -9.591 1.00 0.00 C ATOM 0 H ALA A 55 3.395 -2.395 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 55 3.801 -0.126 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.045 1.117 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.081 -0.330 -9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.578 -0.329 -10.506 1.00 0.00 H new ATOM 816 N ALA A 56 1.343 0.322 -7.205 1.00 0.00 N ATOM 817 CA ALA A 56 0.053 1.003 -7.052 1.00 0.00 C ATOM 818 C ALA A 56 -0.072 2.197 -7.995 1.00 0.00 C ATOM 819 O ALA A 56 0.929 2.819 -8.373 1.00 0.00 O ATOM 820 CB ALA A 56 -0.123 1.464 -5.616 1.00 0.00 C ATOM 0 H ALA A 56 1.815 0.127 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.730 0.289 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.083 1.969 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.092 0.601 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.680 2.153 -5.354 1.00 0.00 H new ATOM 826 N SER A 57 -1.302 2.542 -8.338 1.00 0.00 N ATOM 827 CA SER A 57 -1.543 3.570 -9.320 1.00 0.00 C ATOM 828 C SER A 57 -2.247 4.746 -8.668 1.00 0.00 C ATOM 829 O SER A 57 -3.212 4.575 -7.922 1.00 0.00 O ATOM 830 CB SER A 57 -2.390 3.011 -10.464 1.00 0.00 C ATOM 831 OG SER A 57 -2.271 3.806 -11.631 1.00 0.00 O ATOM 0 H SER A 57 -2.145 2.121 -7.947 1.00 0.00 H new ATOM 0 HA SER A 57 -0.590 3.910 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.079 1.990 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.435 2.966 -10.157 1.00 0.00 H new ATOM 0 HG SER A 57 -2.822 3.423 -12.345 1.00 0.00 H new ATOM 837 N PHE A 58 -1.742 5.930 -8.922 1.00 0.00 N ATOM 838 CA PHE A 58 -2.355 7.129 -8.408 1.00 0.00 C ATOM 839 C PHE A 58 -3.666 7.402 -9.131 1.00 0.00 C ATOM 840 O PHE A 58 -3.810 7.116 -10.321 1.00 0.00 O ATOM 841 CB PHE A 58 -1.399 8.319 -8.508 1.00 0.00 C ATOM 842 CG PHE A 58 -0.934 8.600 -9.900 1.00 0.00 C ATOM 843 CD1 PHE A 58 -1.779 9.221 -10.788 1.00 0.00 C ATOM 844 CD2 PHE A 58 0.335 8.237 -10.324 1.00 0.00 C ATOM 845 CE1 PHE A 58 -1.389 9.474 -12.071 1.00 0.00 C ATOM 846 CE2 PHE A 58 0.741 8.492 -11.621 1.00 0.00 C ATOM 847 CZ PHE A 58 -0.125 9.114 -12.499 1.00 0.00 C ATOM 0 H PHE A 58 -0.905 6.088 -9.484 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.577 6.981 -7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.895 9.206 -8.114 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.531 8.131 -7.875 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.767 9.513 -10.465 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.011 7.751 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.071 9.958 -12.755 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.731 8.206 -11.946 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.184 9.318 -13.514 1.00 0.00 H new ATOM 857 N SER A 59 -4.629 7.910 -8.393 1.00 0.00 N ATOM 858 CA SER A 59 -5.929 8.240 -8.941 1.00 0.00 C ATOM 859 C SER A 59 -6.048 9.750 -9.055 1.00 0.00 C ATOM 860 O SER A 59 -6.610 10.275 -10.022 1.00 0.00 O ATOM 861 CB SER A 59 -7.045 7.669 -8.056 1.00 0.00 C ATOM 862 OG SER A 59 -8.319 7.844 -8.653 1.00 0.00 O ATOM 0 H SER A 59 -4.534 8.106 -7.397 1.00 0.00 H new ATOM 0 HA SER A 59 -6.032 7.796 -9.931 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.866 6.608 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.027 8.160 -7.083 1.00 0.00 H new ATOM 0 HG SER A 59 -9.009 7.469 -8.067 1.00 0.00 H new ATOM 868 N GLY A 60 -5.499 10.451 -8.077 1.00 0.00 N ATOM 869 CA GLY A 60 -5.480 11.894 -8.137 1.00 0.00 C ATOM 870 C GLY A 60 -5.617 12.527 -6.774 1.00 0.00 C ATOM 871 O GLY A 60 -5.834 11.822 -5.783 1.00 0.00 O ATOM 0 H GLY A 60 -5.068 10.047 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.548 12.224 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.291 12.239 -8.778 1.00 0.00 H new ATOM 875 N PRO A 61 -5.482 13.859 -6.694 1.00 0.00 N ATOM 876 CA PRO A 61 -5.671 14.607 -5.450 1.00 0.00 C ATOM 877 C PRO A 61 -7.021 14.310 -4.817 1.00 0.00 C ATOM 878 O PRO A 61 -8.054 14.278 -5.498 1.00 0.00 O ATOM 879 CB PRO A 61 -5.582 16.067 -5.896 1.00 0.00 C ATOM 880 CG PRO A 61 -4.731 16.016 -7.113 1.00 0.00 C ATOM 881 CD PRO A 61 -5.114 14.744 -7.811 1.00 0.00 C ATOM 0 HA PRO A 61 -4.936 14.346 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.567 16.479 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.138 16.695 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.905 16.882 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.672 16.019 -6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.946 14.895 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.288 14.338 -8.394 1.00 0.00 H new ATOM 889 N ILE A 62 -7.003 14.084 -3.520 1.00 0.00 N ATOM 890 CA ILE A 62 -8.182 13.624 -2.810 1.00 0.00 C ATOM 891 C ILE A 62 -9.076 14.796 -2.437 1.00 0.00 C ATOM 892 O ILE A 62 -8.654 15.696 -1.712 1.00 0.00 O ATOM 893 CB ILE A 62 -7.796 12.857 -1.531 1.00 0.00 C ATOM 894 CG1 ILE A 62 -6.576 11.968 -1.770 1.00 0.00 C ATOM 895 CG2 ILE A 62 -8.955 12.008 -1.056 1.00 0.00 C ATOM 896 CD1 ILE A 62 -6.225 11.092 -0.593 1.00 0.00 C ATOM 0 H ILE A 62 -6.180 14.212 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.723 12.953 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.547 13.591 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.762 11.337 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.720 12.598 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.667 11.472 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.811 12.648 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.223 11.291 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.350 10.490 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.007 11.717 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.065 10.436 -0.365 1.00 0.00 H new ATOM 908 N SER A 63 -10.302 14.791 -2.945 1.00 0.00 N ATOM 909 CA SER A 63 -11.251 15.847 -2.635 1.00 0.00 C ATOM 910 C SER A 63 -11.561 15.857 -1.139 1.00 0.00 C ATOM 911 O SER A 63 -12.057 14.874 -0.587 1.00 0.00 O ATOM 912 CB SER A 63 -12.529 15.672 -3.460 1.00 0.00 C ATOM 913 OG SER A 63 -13.032 14.350 -3.349 1.00 0.00 O ATOM 0 H SER A 63 -10.659 14.069 -3.571 1.00 0.00 H new ATOM 0 HA SER A 63 -10.808 16.808 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.284 16.381 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.324 15.900 -4.506 1.00 0.00 H new ATOM 0 HG SER A 63 -12.965 14.052 -2.418 1.00 0.00 H new ATOM 919 N GLY A 64 -11.238 16.962 -0.486 1.00 0.00 N ATOM 920 CA GLY A 64 -11.406 17.056 0.950 1.00 0.00 C ATOM 921 C GLY A 64 -10.081 17.263 1.650 1.00 0.00 C ATOM 922 O GLY A 64 -10.035 17.590 2.835 1.00 0.00 O ATOM 0 H GLY A 64 -10.860 17.801 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.076 17.882 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.878 16.147 1.323 1.00 0.00 H new ATOM 926 N SER A 65 -8.999 17.069 0.909 1.00 0.00 N ATOM 927 CA SER A 65 -7.651 17.256 1.428 1.00 0.00 C ATOM 928 C SER A 65 -6.714 17.646 0.287 1.00 0.00 C ATOM 929 O SER A 65 -7.146 17.780 -0.858 1.00 0.00 O ATOM 930 CB SER A 65 -7.163 15.965 2.090 1.00 0.00 C ATOM 931 OG SER A 65 -8.045 15.562 3.125 1.00 0.00 O ATOM 0 H SER A 65 -9.031 16.778 -0.068 1.00 0.00 H new ATOM 0 HA SER A 65 -7.659 18.052 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.087 15.175 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.163 16.116 2.497 1.00 0.00 H new ATOM 0 HG SER A 65 -7.754 14.698 3.485 1.00 0.00 H new ATOM 937 N ASN A 66 -5.441 17.844 0.595 1.00 0.00 N ATOM 938 CA ASN A 66 -4.458 18.156 -0.434 1.00 0.00 C ATOM 939 C ASN A 66 -3.481 16.996 -0.587 1.00 0.00 C ATOM 940 O ASN A 66 -2.308 17.178 -0.915 1.00 0.00 O ATOM 941 CB ASN A 66 -3.712 19.450 -0.096 1.00 0.00 C ATOM 942 CG ASN A 66 -2.884 19.968 -1.259 1.00 0.00 C ATOM 943 OD1 ASN A 66 -3.233 19.767 -2.426 1.00 0.00 O ATOM 944 ND2 ASN A 66 -1.785 20.638 -0.951 1.00 0.00 N ATOM 0 H ASN A 66 -5.065 17.795 1.542 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.977 18.305 -1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.432 20.213 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.060 19.276 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.190 21.010 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.533 20.782 0.027 1.00 0.00 H new ATOM 951 N TYR A 67 -3.971 15.796 -0.323 1.00 0.00 N ATOM 952 CA TYR A 67 -3.158 14.604 -0.443 1.00 0.00 C ATOM 953 C TYR A 67 -3.507 13.808 -1.683 1.00 0.00 C ATOM 954 O TYR A 67 -4.375 14.200 -2.466 1.00 0.00 O ATOM 955 CB TYR A 67 -3.278 13.750 0.782 1.00 0.00 C ATOM 956 CG TYR A 67 -2.639 14.396 1.970 1.00 0.00 C ATOM 957 CD1 TYR A 67 -1.481 15.153 1.863 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.210 14.248 3.188 1.00 0.00 C ATOM 959 CE1 TYR A 67 -0.920 15.744 2.974 1.00 0.00 C ATOM 960 CE2 TYR A 67 -2.671 14.830 4.317 1.00 0.00 C ATOM 961 CZ TYR A 67 -1.519 15.580 4.203 1.00 0.00 C ATOM 962 OH TYR A 67 -0.963 16.170 5.313 1.00 0.00 O ATOM 0 H TYR A 67 -4.931 15.625 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.122 14.928 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.331 13.561 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.811 12.782 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.014 15.280 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.111 13.659 3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.018 16.331 2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.145 14.700 5.278 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.506 15.960 6.102 1.00 0.00 H new ATOM 972 N GLU A 68 -2.828 12.688 -1.841 1.00 0.00 N ATOM 973 CA GLU A 68 -2.920 11.901 -3.062 1.00 0.00 C ATOM 974 C GLU A 68 -3.620 10.574 -2.796 1.00 0.00 C ATOM 975 O GLU A 68 -3.519 10.012 -1.697 1.00 0.00 O ATOM 976 CB GLU A 68 -1.509 11.701 -3.639 1.00 0.00 C ATOM 977 CG GLU A 68 -1.434 10.821 -4.877 1.00 0.00 C ATOM 978 CD GLU A 68 -2.295 11.313 -6.017 1.00 0.00 C ATOM 979 OE1 GLU A 68 -2.044 12.423 -6.528 1.00 0.00 O ATOM 980 OE2 GLU A 68 -3.226 10.581 -6.406 1.00 0.00 O ATOM 0 H GLU A 68 -2.202 12.298 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.522 12.433 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.091 12.678 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.876 11.267 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.398 10.765 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.738 9.808 -4.613 1.00 0.00 H new ATOM 987 N TYR A 69 -4.287 10.061 -3.826 1.00 0.00 N ATOM 988 CA TYR A 69 -5.242 8.989 -3.673 1.00 0.00 C ATOM 989 C TYR A 69 -4.852 7.871 -4.590 1.00 0.00 C ATOM 990 O TYR A 69 -4.842 8.026 -5.809 1.00 0.00 O ATOM 991 CB TYR A 69 -6.660 9.461 -4.000 1.00 0.00 C ATOM 992 CG TYR A 69 -7.722 8.457 -3.622 1.00 0.00 C ATOM 993 CD1 TYR A 69 -7.616 7.746 -2.441 1.00 0.00 C ATOM 994 CD2 TYR A 69 -8.826 8.229 -4.434 1.00 0.00 C ATOM 995 CE1 TYR A 69 -8.577 6.827 -2.070 1.00 0.00 C ATOM 996 CE2 TYR A 69 -9.793 7.311 -4.074 1.00 0.00 C ATOM 997 CZ TYR A 69 -9.665 6.613 -2.891 1.00 0.00 C ATOM 998 OH TYR A 69 -10.627 5.697 -2.527 1.00 0.00 O ATOM 0 H TYR A 69 -4.174 10.383 -4.787 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.236 8.651 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.853 10.399 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.730 9.670 -5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.765 7.913 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.929 8.777 -5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.478 6.280 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.645 7.140 -4.715 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.495 5.973 -2.888 1.00 0.00 H new ATOM 1008 N TRP A 70 -4.526 6.754 -3.999 1.00 0.00 N ATOM 1009 CA TRP A 70 -3.932 5.665 -4.716 1.00 0.00 C ATOM 1010 C TRP A 70 -4.932 4.543 -4.845 1.00 0.00 C ATOM 1011 O TRP A 70 -5.593 4.195 -3.883 1.00 0.00 O ATOM 1012 CB TRP A 70 -2.692 5.229 -3.948 1.00 0.00 C ATOM 1013 CG TRP A 70 -1.845 6.403 -3.548 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.083 7.295 -2.568 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -0.629 6.808 -4.136 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.082 8.226 -2.540 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.172 7.934 -3.477 1.00 0.00 C ATOM 1018 CE3 TRP A 70 0.097 6.307 -5.142 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 1.013 8.572 -3.809 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 1.282 6.905 -5.498 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.737 8.035 -4.820 1.00 0.00 C ATOM 0 H TRP A 70 -4.666 6.575 -3.005 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.644 5.961 -5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.991 4.676 -3.058 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.103 4.548 -4.563 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.935 7.278 -1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.036 9.021 -1.903 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.248 5.433 -5.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.344 9.457 -3.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.866 6.496 -6.310 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.676 8.487 -5.104 1.00 0.00 H new ATOM 1032 N THR A 71 -5.060 3.995 -6.032 1.00 0.00 N ATOM 1033 CA THR A 71 -6.051 2.969 -6.288 1.00 0.00 C ATOM 1034 C THR A 71 -5.464 1.899 -7.177 1.00 0.00 C ATOM 1035 O THR A 71 -4.584 2.193 -7.994 1.00 0.00 O ATOM 1036 CB THR A 71 -7.303 3.554 -6.979 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.914 4.360 -8.101 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.134 4.387 -6.013 1.00 0.00 C ATOM 0 H THR A 71 -4.489 4.242 -6.840 1.00 0.00 H new ATOM 0 HA THR A 71 -6.344 2.546 -5.327 1.00 0.00 H new ATOM 0 HB THR A 71 -7.915 2.720 -7.322 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.714 4.725 -8.534 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.007 4.783 -6.532 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.459 3.763 -5.181 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.532 5.213 -5.633 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.917 0.666 -7.003 1.00 0.00 N ATOM 1047 CA PHE A 72 -5.571 -0.377 -7.943 1.00 0.00 C ATOM 1048 C PHE A 72 -6.298 -1.678 -7.657 1.00 0.00 C ATOM 1049 O PHE A 72 -6.674 -1.979 -6.521 1.00 0.00 O ATOM 1050 CB PHE A 72 -4.055 -0.633 -7.976 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.526 -1.413 -6.802 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.610 -0.908 -5.516 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.935 -2.651 -6.994 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -3.116 -1.624 -4.441 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -2.440 -3.371 -5.925 1.00 0.00 C ATOM 1056 CZ PHE A 72 -2.529 -2.857 -4.649 1.00 0.00 C ATOM 0 H PHE A 72 -6.515 0.371 -6.231 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.891 -0.015 -8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.810 -1.170 -8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.539 0.326 -8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.067 0.057 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.861 -3.058 -7.992 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.189 -1.220 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.983 -4.336 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.140 -3.418 -3.812 1.00 0.00 H new ATOM 1066 N SER A 73 -6.502 -2.428 -8.718 1.00 0.00 N ATOM 1067 CA SER A 73 -6.917 -3.805 -8.625 1.00 0.00 C ATOM 1068 C SER A 73 -5.828 -4.664 -9.243 1.00 0.00 C ATOM 1069 O SER A 73 -5.271 -4.320 -10.286 1.00 0.00 O ATOM 1070 CB SER A 73 -8.264 -4.034 -9.316 1.00 0.00 C ATOM 1071 OG SER A 73 -8.268 -3.539 -10.649 1.00 0.00 O ATOM 0 H SER A 73 -6.383 -2.094 -9.675 1.00 0.00 H new ATOM 0 HA SER A 73 -7.059 -4.077 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.491 -5.100 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.053 -3.544 -8.745 1.00 0.00 H new ATOM 0 HG SER A 73 -9.143 -3.705 -11.057 1.00 0.00 H new ATOM 1077 N ALA A 74 -5.519 -5.766 -8.599 1.00 0.00 N ATOM 1078 CA ALA A 74 -4.343 -6.542 -8.955 1.00 0.00 C ATOM 1079 C ALA A 74 -4.672 -8.011 -9.150 1.00 0.00 C ATOM 1080 O ALA A 74 -5.202 -8.659 -8.249 1.00 0.00 O ATOM 1081 CB ALA A 74 -3.265 -6.387 -7.885 1.00 0.00 C ATOM 0 H ALA A 74 -6.062 -6.149 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.971 -6.156 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.389 -6.973 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.986 -5.337 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.649 -6.740 -6.928 1.00 0.00 H new ATOM 1087 N SER A 75 -4.378 -8.530 -10.330 1.00 0.00 N ATOM 1088 CA SER A 75 -4.466 -9.936 -10.579 1.00 0.00 C ATOM 1089 C SER A 75 -3.362 -10.654 -9.811 1.00 0.00 C ATOM 1090 O SER A 75 -2.208 -10.684 -10.237 1.00 0.00 O ATOM 1091 CB SER A 75 -4.319 -10.142 -12.078 1.00 0.00 C ATOM 1092 OG SER A 75 -4.243 -8.889 -12.748 1.00 0.00 O ATOM 0 H SER A 75 -4.073 -7.979 -11.133 1.00 0.00 H new ATOM 0 HA SER A 75 -5.421 -10.343 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.422 -10.726 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.166 -10.713 -12.457 1.00 0.00 H new ATOM 0 HG SER A 75 -3.323 -8.554 -12.711 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.720 -11.215 -8.672 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.746 -11.845 -7.801 1.00 0.00 C ATOM 1100 C VAL A 76 -2.818 -13.358 -7.922 1.00 0.00 C ATOM 1101 O VAL A 76 -3.875 -13.915 -8.214 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.953 -11.437 -6.321 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.851 -9.931 -6.154 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -4.292 -11.928 -5.804 1.00 0.00 C ATOM 0 H VAL A 76 -4.680 -11.247 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.762 -11.501 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.162 -11.906 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.000 -9.670 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.865 -9.595 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.615 -9.445 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.412 -11.628 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.094 -11.494 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.333 -13.015 -5.876 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.690 -14.011 -7.710 1.00 0.00 N ATOM 1115 CA LYS A 77 -1.637 -15.464 -7.698 1.00 0.00 C ATOM 1116 C LYS A 77 -1.518 -15.960 -6.264 1.00 0.00 C ATOM 1117 O LYS A 77 -0.805 -16.921 -5.970 1.00 0.00 O ATOM 1118 CB LYS A 77 -0.480 -15.999 -8.562 1.00 0.00 C ATOM 1119 CG LYS A 77 0.903 -15.442 -8.224 1.00 0.00 C ATOM 1120 CD LYS A 77 1.117 -14.048 -8.804 1.00 0.00 C ATOM 1121 CE LYS A 77 2.551 -13.574 -8.623 1.00 0.00 C ATOM 1122 NZ LYS A 77 3.518 -14.445 -9.339 1.00 0.00 N ATOM 0 H LYS A 77 -0.793 -13.556 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.562 -15.844 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.449 -17.084 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.697 -15.777 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.024 -15.406 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.669 -16.116 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.867 -14.054 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.438 -13.345 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.644 -12.551 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.796 -13.556 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.421 -13.941 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.673 -15.315 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.138 -14.689 -10.276 1.00 0.00 H new ATOM 1136 N GLY A 78 -2.222 -15.279 -5.371 1.00 0.00 N ATOM 1137 CA GLY A 78 -2.191 -15.625 -3.969 1.00 0.00 C ATOM 1138 C GLY A 78 -1.523 -14.554 -3.134 1.00 0.00 C ATOM 1139 O GLY A 78 -0.644 -13.837 -3.617 1.00 0.00 O ATOM 0 H GLY A 78 -2.820 -14.485 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.209 -15.781 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.660 -16.568 -3.840 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.955 -14.435 -1.889 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.374 -13.492 -0.949 1.00 0.00 C ATOM 1145 C ILE A 79 -1.612 -13.996 0.467 1.00 0.00 C ATOM 1146 O ILE A 79 -2.530 -14.786 0.705 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.970 -12.073 -1.119 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.221 -11.041 -0.262 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.455 -12.066 -0.791 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.787 -9.641 -0.352 1.00 0.00 C ATOM 0 H ILE A 79 -2.718 -14.990 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.304 -13.419 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.847 -11.789 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.242 -11.364 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.175 -11.020 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.851 -11.058 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.979 -12.748 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.601 -12.386 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.204 -8.972 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.741 -9.296 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.824 -9.646 -0.017 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.778 -13.560 1.391 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.850 -14.034 2.766 1.00 0.00 C ATOM 1164 C LYS A 80 -0.599 -12.899 3.757 1.00 0.00 C ATOM 1165 O LYS A 80 -1.342 -12.725 4.720 1.00 0.00 O ATOM 1166 CB LYS A 80 0.168 -15.157 2.984 1.00 0.00 C ATOM 1167 CG LYS A 80 0.134 -15.738 4.385 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.233 -16.321 4.712 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.413 -16.537 6.206 1.00 0.00 C ATOM 1170 NZ LYS A 80 -0.349 -17.400 6.782 1.00 0.00 N ATOM 0 H LYS A 80 -0.040 -12.877 1.218 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.855 -14.418 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.021 -15.953 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.168 -14.775 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.894 -16.514 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.382 -14.962 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.011 -15.651 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.358 -17.270 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.410 -15.572 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.386 -16.991 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.675 -17.796 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.135 -18.175 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.509 -16.834 6.941 1.00 0.00 H new ATOM 1184 N GLU A 81 0.445 -12.131 3.507 1.00 0.00 N ATOM 1185 CA GLU A 81 0.832 -11.030 4.388 1.00 0.00 C ATOM 1186 C GLU A 81 1.297 -9.899 3.515 1.00 0.00 C ATOM 1187 O GLU A 81 1.582 -10.141 2.348 1.00 0.00 O ATOM 1188 CB GLU A 81 1.995 -11.421 5.307 1.00 0.00 C ATOM 1189 CG GLU A 81 1.865 -12.783 5.955 1.00 0.00 C ATOM 1190 CD GLU A 81 3.085 -13.134 6.779 1.00 0.00 C ATOM 1191 OE1 GLU A 81 4.104 -13.559 6.195 1.00 0.00 O ATOM 1192 OE2 GLU A 81 3.041 -12.980 8.016 1.00 0.00 O ATOM 0 H GLU A 81 1.050 -12.247 2.694 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.022 -10.759 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.919 -11.396 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.088 -10.669 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.980 -12.799 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.718 -13.539 5.184 1.00 0.00 H new ATOM 1199 N PHE A 82 1.366 -8.678 4.026 1.00 0.00 N ATOM 1200 CA PHE A 82 2.023 -7.631 3.266 1.00 0.00 C ATOM 1201 C PHE A 82 2.177 -6.352 4.048 1.00 0.00 C ATOM 1202 O PHE A 82 1.757 -6.239 5.198 1.00 0.00 O ATOM 1203 CB PHE A 82 1.291 -7.340 1.946 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.047 -6.667 2.060 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.200 -7.409 2.235 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.152 -5.291 1.949 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.432 -6.791 2.307 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.380 -4.667 2.014 1.00 0.00 C ATOM 1209 CZ PHE A 82 -2.521 -5.419 2.194 1.00 0.00 C ATOM 0 H PHE A 82 0.989 -8.396 4.931 1.00 0.00 H new ATOM 0 HA PHE A 82 3.020 -8.012 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.936 -6.716 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.156 -8.282 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.136 -8.484 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.740 -4.698 1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.325 -7.381 2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.447 -3.593 1.924 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.485 -4.934 2.247 1.00 0.00 H new ATOM 1219 N TYR A 83 2.785 -5.397 3.378 1.00 0.00 N ATOM 1220 CA TYR A 83 2.895 -4.038 3.851 1.00 0.00 C ATOM 1221 C TYR A 83 3.212 -3.145 2.669 1.00 0.00 C ATOM 1222 O TYR A 83 3.920 -3.551 1.744 1.00 0.00 O ATOM 1223 CB TYR A 83 3.940 -3.873 4.970 1.00 0.00 C ATOM 1224 CG TYR A 83 5.122 -4.822 4.935 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.947 -4.910 3.826 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.423 -5.610 6.039 1.00 0.00 C ATOM 1227 CE1 TYR A 83 7.040 -5.760 3.817 1.00 0.00 C ATOM 1228 CE2 TYR A 83 6.508 -6.464 6.036 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.314 -6.533 4.922 1.00 0.00 C ATOM 1230 OH TYR A 83 8.403 -7.374 4.916 1.00 0.00 O ATOM 0 H TYR A 83 3.225 -5.549 2.470 1.00 0.00 H new ATOM 0 HA TYR A 83 1.943 -3.751 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.320 -2.852 4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.435 -3.991 5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.735 -4.307 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 83 4.796 -5.553 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.675 -5.816 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.723 -7.073 6.901 1.00 0.00 H new ATOM 0 HH TYR A 83 8.163 -8.216 4.476 1.00 0.00 H new ATOM 1240 N ILE A 84 2.657 -1.955 2.665 1.00 0.00 N ATOM 1241 CA ILE A 84 2.863 -1.062 1.550 1.00 0.00 C ATOM 1242 C ILE A 84 4.077 -0.200 1.803 1.00 0.00 C ATOM 1243 O ILE A 84 4.242 0.364 2.888 1.00 0.00 O ATOM 1244 CB ILE A 84 1.649 -0.155 1.267 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.338 -0.942 1.352 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.802 0.463 -0.112 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.280 -2.127 0.419 1.00 0.00 C ATOM 0 H ILE A 84 2.067 -1.587 3.411 1.00 0.00 H new ATOM 0 HA ILE A 84 3.010 -1.690 0.671 1.00 0.00 H new ATOM 0 HB ILE A 84 1.613 0.630 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.199 -1.290 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.492 -0.273 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.947 1.106 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.717 1.054 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.852 -0.327 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.677 -2.635 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.387 -1.785 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.089 -2.818 0.657 1.00 0.00 H new ATOM 1259 N LYS A 85 4.931 -0.112 0.808 1.00 0.00 N ATOM 1260 CA LYS A 85 6.133 0.660 0.926 1.00 0.00 C ATOM 1261 C LYS A 85 5.873 2.074 0.486 1.00 0.00 C ATOM 1262 O LYS A 85 5.704 2.342 -0.710 1.00 0.00 O ATOM 1263 CB LYS A 85 7.244 0.054 0.084 1.00 0.00 C ATOM 1264 CG LYS A 85 7.699 -1.304 0.570 1.00 0.00 C ATOM 1265 CD LYS A 85 9.189 -1.308 0.824 1.00 0.00 C ATOM 1266 CE LYS A 85 9.994 -1.582 -0.442 1.00 0.00 C ATOM 1267 NZ LYS A 85 9.832 -0.523 -1.479 1.00 0.00 N ATOM 0 H LYS A 85 4.808 -0.571 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 85 6.448 0.656 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.901 -0.034 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.096 0.733 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.168 -1.565 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.449 -2.064 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.487 -0.345 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.425 -2.065 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.049 -1.670 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.688 -2.541 -0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.502 -0.692 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.860 -0.545 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.020 0.408 -1.056 1.00 0.00 H new ATOM 1281 N TYR A 86 5.821 2.972 1.444 1.00 0.00 N ATOM 1282 CA TYR A 86 5.696 4.367 1.122 1.00 0.00 C ATOM 1283 C TYR A 86 7.081 4.912 0.886 1.00 0.00 C ATOM 1284 O TYR A 86 7.814 5.223 1.825 1.00 0.00 O ATOM 1285 CB TYR A 86 5.002 5.148 2.234 1.00 0.00 C ATOM 1286 CG TYR A 86 4.900 6.624 1.934 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.461 7.059 0.697 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.253 7.579 2.874 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.374 8.394 0.398 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.168 8.928 2.583 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.727 9.328 1.341 1.00 0.00 C ATOM 1292 OH TYR A 86 4.647 10.668 1.038 1.00 0.00 O ATOM 0 H TYR A 86 5.863 2.760 2.441 1.00 0.00 H new ATOM 0 HA TYR A 86 5.079 4.476 0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.002 4.743 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.549 5.008 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.181 6.331 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.599 7.265 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.029 8.710 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.445 9.663 3.324 1.00 0.00 H new ATOM 0 HH TYR A 86 3.856 11.054 1.469 1.00 0.00 H new ATOM 1302 N GLU A 87 7.440 5.017 -0.371 1.00 0.00 N ATOM 1303 CA GLU A 87 8.771 5.411 -0.720 1.00 0.00 C ATOM 1304 C GLU A 87 8.744 6.728 -1.469 1.00 0.00 C ATOM 1305 O GLU A 87 8.037 6.889 -2.465 1.00 0.00 O ATOM 1306 CB GLU A 87 9.431 4.308 -1.539 1.00 0.00 C ATOM 1307 CG GLU A 87 10.919 4.183 -1.302 1.00 0.00 C ATOM 1308 CD GLU A 87 11.487 2.899 -1.866 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.061 1.809 -1.419 1.00 0.00 O ATOM 1310 OE2 GLU A 87 12.371 2.971 -2.745 1.00 0.00 O ATOM 0 H GLU A 87 6.825 4.834 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 87 9.362 5.560 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.953 3.357 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.255 4.499 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.429 5.033 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.119 4.226 -0.231 1.00 0.00 H new ATOM 1317 N VAL A 88 9.476 7.678 -0.946 1.00 0.00 N ATOM 1318 CA VAL A 88 9.604 8.978 -1.559 1.00 0.00 C ATOM 1319 C VAL A 88 10.975 9.048 -2.214 1.00 0.00 C ATOM 1320 O VAL A 88 11.847 8.238 -1.902 1.00 0.00 O ATOM 1321 CB VAL A 88 9.444 10.103 -0.505 1.00 0.00 C ATOM 1322 CG1 VAL A 88 9.399 11.474 -1.162 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.191 9.879 0.333 1.00 0.00 C ATOM 0 H VAL A 88 10.003 7.572 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 88 8.821 9.120 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 88 10.315 10.070 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.286 12.241 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.324 11.644 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.554 11.521 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.096 10.679 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.315 9.876 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.264 8.921 0.848 1.00 0.00 H new ATOM 1333 N SER A 89 11.169 9.995 -3.121 1.00 0.00 N ATOM 1334 CA SER A 89 12.429 10.128 -3.846 1.00 0.00 C ATOM 1335 C SER A 89 13.621 10.353 -2.897 1.00 0.00 C ATOM 1336 O SER A 89 14.776 10.269 -3.314 1.00 0.00 O ATOM 1337 CB SER A 89 12.319 11.265 -4.859 1.00 0.00 C ATOM 1338 OG SER A 89 13.447 11.324 -5.720 1.00 0.00 O ATOM 0 H SER A 89 10.465 10.688 -3.375 1.00 0.00 H new ATOM 0 HA SER A 89 12.618 9.192 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.415 11.133 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.217 12.213 -4.330 1.00 0.00 H new ATOM 0 HG SER A 89 14.232 10.965 -5.256 1.00 0.00 H new ATOM 1344 N GLY A 90 13.338 10.630 -1.622 1.00 0.00 N ATOM 1345 CA GLY A 90 14.403 10.807 -0.658 1.00 0.00 C ATOM 1346 C GLY A 90 14.076 10.263 0.728 1.00 0.00 C ATOM 1347 O GLY A 90 14.885 10.399 1.648 1.00 0.00 O ATOM 0 H GLY A 90 12.395 10.733 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.302 10.314 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.633 11.869 -0.576 1.00 0.00 H new ATOM 1351 N LYS A 91 12.903 9.653 0.896 1.00 0.00 N ATOM 1352 CA LYS A 91 12.481 9.167 2.192 1.00 0.00 C ATOM 1353 C LYS A 91 11.748 7.829 2.049 1.00 0.00 C ATOM 1354 O LYS A 91 11.330 7.474 0.951 1.00 0.00 O ATOM 1355 CB LYS A 91 11.545 10.197 2.802 1.00 0.00 C ATOM 1356 CG LYS A 91 11.463 10.117 4.297 1.00 0.00 C ATOM 1357 CD LYS A 91 12.642 10.814 4.956 1.00 0.00 C ATOM 1358 CE LYS A 91 12.512 10.822 6.467 1.00 0.00 C ATOM 1359 NZ LYS A 91 13.552 11.671 7.103 1.00 0.00 N ATOM 0 H LYS A 91 12.233 9.488 0.145 1.00 0.00 H new ATOM 0 HA LYS A 91 13.352 9.015 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.879 11.195 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.548 10.063 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.533 10.573 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.437 9.072 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.567 10.312 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.710 11.839 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.524 11.187 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.593 9.803 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.432 11.652 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.495 11.307 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.459 12.649 6.761 1.00 0.00 H new ATOM 1373 N THR A 92 11.592 7.091 3.148 1.00 0.00 N ATOM 1374 CA THR A 92 10.813 5.855 3.132 1.00 0.00 C ATOM 1375 C THR A 92 10.063 5.667 4.450 1.00 0.00 C ATOM 1376 O THR A 92 10.567 6.003 5.525 1.00 0.00 O ATOM 1377 CB THR A 92 11.688 4.605 2.897 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.641 4.842 1.852 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.828 3.395 2.523 1.00 0.00 C ATOM 0 H THR A 92 11.993 7.327 4.056 1.00 0.00 H new ATOM 0 HA THR A 92 10.113 5.955 2.303 1.00 0.00 H new ATOM 0 HB THR A 92 12.214 4.396 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.187 4.039 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.469 2.528 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.127 3.183 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.275 3.610 1.609 1.00 0.00 H new ATOM 1387 N TYR A 93 8.859 5.140 4.347 1.00 0.00 N ATOM 1388 CA TYR A 93 8.066 4.742 5.502 1.00 0.00 C ATOM 1389 C TYR A 93 7.343 3.449 5.154 1.00 0.00 C ATOM 1390 O TYR A 93 7.613 2.840 4.116 1.00 0.00 O ATOM 1391 CB TYR A 93 7.034 5.810 5.900 1.00 0.00 C ATOM 1392 CG TYR A 93 7.591 7.195 6.078 1.00 0.00 C ATOM 1393 CD1 TYR A 93 8.124 7.617 7.289 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.556 8.081 5.031 1.00 0.00 C ATOM 1395 CE1 TYR A 93 8.615 8.900 7.437 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.040 9.367 5.162 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.568 9.773 6.368 1.00 0.00 C ATOM 1398 OH TYR A 93 9.045 11.056 6.505 1.00 0.00 O ATOM 0 H TYR A 93 8.396 4.973 3.453 1.00 0.00 H new ATOM 0 HA TYR A 93 8.736 4.610 6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.255 5.843 5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.557 5.504 6.831 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.155 6.934 8.125 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.141 7.766 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.032 9.218 8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.005 10.050 4.326 1.00 0.00 H new ATOM 0 HH TYR A 93 9.379 11.185 7.417 1.00 0.00 H new ATOM 1408 N TYR A 94 6.400 3.058 5.987 1.00 0.00 N ATOM 1409 CA TYR A 94 5.725 1.777 5.829 1.00 0.00 C ATOM 1410 C TYR A 94 4.263 1.870 6.239 1.00 0.00 C ATOM 1411 O TYR A 94 3.919 2.581 7.182 1.00 0.00 O ATOM 1412 CB TYR A 94 6.390 0.695 6.686 1.00 0.00 C ATOM 1413 CG TYR A 94 7.769 0.262 6.237 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.961 -0.379 5.018 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.872 0.447 7.060 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.211 -0.819 4.630 1.00 0.00 C ATOM 1417 CE2 TYR A 94 10.128 0.020 6.675 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.291 -0.615 5.463 1.00 0.00 C ATOM 1419 OH TYR A 94 11.537 -1.059 5.092 1.00 0.00 O ATOM 0 H TYR A 94 6.080 3.608 6.784 1.00 0.00 H new ATOM 0 HA TYR A 94 5.797 1.513 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.459 1.060 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.741 -0.181 6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.117 -0.536 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.746 0.933 8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.342 -1.319 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.978 0.183 7.321 1.00 0.00 H new ATOM 0 HH TYR A 94 12.186 -0.834 5.791 1.00 0.00 H new ATOM 1429 N ASP A 95 3.418 1.150 5.521 1.00 0.00 N ATOM 1430 CA ASP A 95 2.033 0.948 5.926 1.00 0.00 C ATOM 1431 C ASP A 95 1.782 -0.547 6.051 1.00 0.00 C ATOM 1432 O ASP A 95 1.587 -1.241 5.056 1.00 0.00 O ATOM 1433 CB ASP A 95 1.068 1.575 4.915 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.386 1.404 5.318 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -0.859 2.150 6.201 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.062 0.522 4.760 1.00 0.00 O ATOM 0 H ASP A 95 3.668 0.690 4.645 1.00 0.00 H new ATOM 0 HA ASP A 95 1.859 1.435 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.292 2.637 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.226 1.122 3.936 1.00 0.00 H new ATOM 1441 N ASN A 96 1.840 -1.047 7.274 1.00 0.00 N ATOM 1442 CA ASN A 96 1.767 -2.487 7.517 1.00 0.00 C ATOM 1443 C ASN A 96 0.622 -2.844 8.460 1.00 0.00 C ATOM 1444 O ASN A 96 -0.105 -3.800 8.210 1.00 0.00 O ATOM 1445 CB ASN A 96 3.101 -3.000 8.078 1.00 0.00 C ATOM 1446 CG ASN A 96 3.589 -2.195 9.265 1.00 0.00 C ATOM 1447 OD1 ASN A 96 3.241 -2.481 10.403 1.00 0.00 O ATOM 1448 ND2 ASN A 96 4.405 -1.184 9.006 1.00 0.00 N ATOM 0 H ASN A 96 1.937 -0.481 8.117 1.00 0.00 H new ATOM 0 HA ASN A 96 1.570 -2.974 6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 96 2.988 -4.043 8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.855 -2.972 7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.767 -0.612 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.672 -0.978 8.043 1.00 0.00 H new ATOM 1455 N ASN A 97 0.496 -2.082 9.544 1.00 0.00 N ATOM 1456 CA ASN A 97 -0.604 -2.217 10.510 1.00 0.00 C ATOM 1457 C ASN A 97 -0.250 -1.441 11.769 1.00 0.00 C ATOM 1458 O ASN A 97 -1.104 -0.808 12.386 1.00 0.00 O ATOM 1459 CB ASN A 97 -0.923 -3.686 10.876 1.00 0.00 C ATOM 1460 CG ASN A 97 0.148 -4.378 11.697 1.00 0.00 C ATOM 1461 OD1 ASN A 97 1.338 -4.127 11.539 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -0.276 -5.252 12.592 1.00 0.00 N ATOM 0 H ASN A 97 1.159 -1.345 9.783 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.501 -1.815 10.038 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.861 -3.713 11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.079 -4.250 9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.395 -5.745 13.181 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.274 -5.434 12.694 1.00 0.00 H new ATOM 1469 N ASN A 98 1.030 -1.495 12.124 1.00 0.00 N ATOM 1470 CA ASN A 98 1.571 -0.788 13.275 1.00 0.00 C ATOM 1471 C ASN A 98 3.051 -1.122 13.375 1.00 0.00 C ATOM 1472 O ASN A 98 3.883 -0.242 13.583 1.00 0.00 O ATOM 1473 CB ASN A 98 0.856 -1.187 14.575 1.00 0.00 C ATOM 1474 CG ASN A 98 0.989 -0.143 15.675 1.00 0.00 C ATOM 1475 OD1 ASN A 98 0.106 -0.006 16.522 1.00 0.00 O ATOM 1476 ND2 ASN A 98 2.083 0.608 15.676 1.00 0.00 N ATOM 0 H ASN A 98 1.727 -2.038 11.614 1.00 0.00 H new ATOM 0 HA ASN A 98 1.420 0.283 13.141 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.201 -1.352 14.365 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.262 -2.134 14.930 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.210 1.323 16.392 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.797 0.470 14.961 1.00 0.00 H new ATOM 1483 N SER A 99 3.359 -2.407 13.208 1.00 0.00 N ATOM 1484 CA SER A 99 4.739 -2.878 13.178 1.00 0.00 C ATOM 1485 C SER A 99 4.784 -4.370 12.827 1.00 0.00 C ATOM 1486 O SER A 99 5.577 -5.129 13.383 1.00 0.00 O ATOM 1487 CB SER A 99 5.423 -2.622 14.531 1.00 0.00 C ATOM 1488 OG SER A 99 6.825 -2.846 14.461 1.00 0.00 O ATOM 0 H SER A 99 2.664 -3.144 13.091 1.00 0.00 H new ATOM 0 HA SER A 99 5.279 -2.325 12.410 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.234 -1.596 14.846 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.987 -3.274 15.288 1.00 0.00 H new ATOM 0 HG SER A 99 6.995 -3.755 14.138 1.00 0.00 H new ATOM 1494 N ALA A 100 3.926 -4.798 11.909 1.00 0.00 N ATOM 1495 CA ALA A 100 3.865 -6.203 11.537 1.00 0.00 C ATOM 1496 C ALA A 100 3.568 -6.397 10.049 1.00 0.00 C ATOM 1497 O ALA A 100 4.489 -6.433 9.232 1.00 0.00 O ATOM 1498 CB ALA A 100 2.836 -6.931 12.388 1.00 0.00 C ATOM 0 H ALA A 100 3.268 -4.197 11.413 1.00 0.00 H new ATOM 0 HA ALA A 100 4.850 -6.631 11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.802 -7.981 12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.113 -6.854 13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.855 -6.481 12.237 1.00 0.00 H new ATOM 1504 N ASN A 101 2.281 -6.496 9.700 1.00 0.00 N ATOM 1505 CA ASN A 101 1.864 -6.859 8.342 1.00 0.00 C ATOM 1506 C ASN A 101 0.352 -6.922 8.251 1.00 0.00 C ATOM 1507 O ASN A 101 -0.338 -7.036 9.266 1.00 0.00 O ATOM 1508 CB ASN A 101 2.457 -8.218 7.925 1.00 0.00 C ATOM 1509 CG ASN A 101 1.930 -9.382 8.745 1.00 0.00 C ATOM 1510 OD1 ASN A 101 0.913 -9.985 8.404 1.00 0.00 O ATOM 1511 ND2 ASN A 101 2.626 -9.718 9.821 1.00 0.00 N ATOM 0 H ASN A 101 1.507 -6.329 10.343 1.00 0.00 H new ATOM 0 HA ASN A 101 2.237 -6.090 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.236 -8.395 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.542 -8.177 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.324 -10.502 10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.464 -9.193 10.071 1.00 0.00 H new ATOM 1518 N TYR A 102 -0.152 -6.803 7.035 1.00 0.00 N ATOM 1519 CA TYR A 102 -1.551 -7.057 6.759 1.00 0.00 C ATOM 1520 C TYR A 102 -1.719 -8.516 6.394 1.00 0.00 C ATOM 1521 O TYR A 102 -1.401 -8.924 5.276 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.074 -6.183 5.619 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.131 -4.711 5.936 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -3.068 -4.210 6.829 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.248 -3.825 5.340 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -3.122 -2.863 7.121 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -1.296 -2.477 5.625 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.233 -2.000 6.517 1.00 0.00 C ATOM 1529 OH TYR A 102 -2.283 -0.658 6.807 1.00 0.00 O ATOM 0 H TYR A 102 0.394 -6.530 6.218 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.126 -6.814 7.652 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.439 -6.329 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.074 -6.522 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.765 -4.885 7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.512 -4.196 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.856 -2.487 7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.603 -1.798 5.152 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.198 -0.141 5.979 1.00 0.00 H new ATOM 1539 N GLN A 103 -2.172 -9.300 7.351 1.00 0.00 N ATOM 1540 CA GLN A 103 -2.388 -10.715 7.135 1.00 0.00 C ATOM 1541 C GLN A 103 -3.721 -10.942 6.437 1.00 0.00 C ATOM 1542 O GLN A 103 -4.794 -10.763 7.021 1.00 0.00 O ATOM 1543 CB GLN A 103 -2.300 -11.520 8.441 1.00 0.00 C ATOM 1544 CG GLN A 103 -3.121 -10.981 9.599 1.00 0.00 C ATOM 1545 CD GLN A 103 -2.566 -9.697 10.188 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -3.305 -8.875 10.726 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.260 -9.505 10.067 1.00 0.00 N ATOM 0 H GLN A 103 -2.399 -8.978 8.292 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.588 -11.079 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.618 -12.543 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -1.256 -11.566 8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.142 -10.804 9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.172 -11.738 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.680 -10.212 9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.835 -8.651 10.427 1.00 0.00 H new ATOM 1556 N VAL A 104 -3.633 -11.304 5.174 1.00 0.00 N ATOM 1557 CA VAL A 104 -4.803 -11.537 4.352 1.00 0.00 C ATOM 1558 C VAL A 104 -5.203 -12.998 4.423 1.00 0.00 C ATOM 1559 O VAL A 104 -4.450 -13.876 3.996 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.539 -11.168 2.878 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.824 -11.226 2.064 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.898 -9.797 2.773 1.00 0.00 C ATOM 0 H VAL A 104 -2.748 -11.445 4.688 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.605 -10.905 4.735 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.845 -11.901 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.611 -10.962 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.235 -12.235 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.548 -10.523 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.721 -9.558 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.562 -9.050 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.950 -9.797 3.310 1.00 0.00 H new ATOM 1572 N SER A 105 -6.369 -13.262 4.981 1.00 0.00 N ATOM 1573 CA SER A 105 -6.900 -14.607 4.994 1.00 0.00 C ATOM 1574 C SER A 105 -7.296 -15.003 3.578 1.00 0.00 C ATOM 1575 O SER A 105 -8.316 -14.550 3.063 1.00 0.00 O ATOM 1576 CB SER A 105 -8.095 -14.687 5.939 1.00 0.00 C ATOM 1577 OG SER A 105 -7.744 -14.224 7.235 1.00 0.00 O ATOM 0 H SER A 105 -6.963 -12.564 5.429 1.00 0.00 H new ATOM 0 HA SER A 105 -6.140 -15.301 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.917 -14.090 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.449 -15.716 5.999 1.00 0.00 H new ATOM 0 HG SER A 105 -8.524 -14.282 7.825 1.00 0.00 H new ATOM 1583 N THR A 106 -6.455 -15.809 2.945 1.00 0.00 N ATOM 1584 CA THR A 106 -6.666 -16.235 1.572 1.00 0.00 C ATOM 1585 C THR A 106 -8.014 -16.944 1.422 1.00 0.00 C ATOM 1586 O THR A 106 -8.865 -16.458 0.645 1.00 0.00 O ATOM 1587 CB THR A 106 -5.532 -17.171 1.125 1.00 0.00 C ATOM 1588 OG1 THR A 106 -4.293 -16.745 1.719 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.397 -17.172 -0.389 1.00 0.00 C ATOM 1590 OXT THR A 106 -8.237 -17.956 2.118 1.00 0.00 O ATOM 0 H THR A 106 -5.608 -16.185 3.370 1.00 0.00 H new ATOM 0 HA THR A 106 -6.669 -15.348 0.939 1.00 0.00 H new ATOM 0 HB THR A 106 -5.769 -18.183 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.890 -16.043 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.588 -17.842 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.330 -17.513 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.176 -16.162 -0.735 1.00 0.00 H new