USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 750 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 93 TYR OH : rot 180:sc= -0.0251 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= -12.3! C(o=-13!,f=-12!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -136:sc= -3.18! (180deg=-1.12!) USER MOD Set 2.2: A 82 TYR OH : rot 175:sc= 0.756 USER MOD Set 3.1: A 35 MET CE :methyl 162:sc= -21.8! (180deg=-17.2!) USER MOD Set 3.2: A 48 SER OG : rot -60:sc= -10.2! USER MOD Set 4.1: A 46 THR OG1 : rot 11:sc= 0.676 USER MOD Set 4.2: A 65 HIS :FLIP no HD1:sc= 0.592 F(o=-1.7,f=1.3) USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -1.57 F(o=-5.5!,f=-2.5) USER MOD Set 5.2: A 9 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.222 USER MOD Single : A 12 TYR OH : rot 134:sc= -1.96! USER MOD Single : A 13 ASN : amide:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.144 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -43:sc= -0.742! USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -4.04! (180deg=-4.97!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 41:sc= -7.26! USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.938! (180deg=-2.21!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= -9.81! (180deg=-12.5!) USER MOD Single : A 63 HIS : no HE2:sc= -36.7! C(o=-37!,f=-40!) USER MOD Single : A 64 TYR OH : rot -32:sc= -10.8! USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= 0.0656 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 160:sc= -1.02 USER MOD Single : A 76 TYR OH : rot 107:sc= 0.898 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -5.23! C(o=-5.2!,f=-7.2!) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -26! C(o=-28!,f=-26!) USER MOD Single : A 95 GLN :FLIP amide:sc= -3.28! C(o=-5.2!,f=-3.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 51:sc= 0.678 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 160:sc= -11.8! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -2.455 12.497 7.526 1.00 0.00 N ATOM 22 CA ASN A 5 -2.711 11.623 8.663 1.00 0.00 C ATOM 23 C ASN A 5 -2.553 10.156 8.273 1.00 0.00 C ATOM 24 O ASN A 5 -2.881 9.260 9.050 1.00 0.00 O ATOM 25 CB ASN A 5 -4.116 11.867 9.214 1.00 0.00 C ATOM 26 CG ASN A 5 -5.175 11.840 8.129 1.00 0.00 C ATOM 27 OD1 ASN A 5 -4.784 11.423 6.929 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -6.332 12.188 8.365 1.00 0.00 N flip ATOM 0 HA ASN A 5 -1.979 11.854 9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.347 11.109 9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.142 12.832 9.720 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.589 12.501 9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.033 12.163 7.625 1.00 0.00 H new ATOM 35 N LEU A 6 -2.050 9.918 7.065 1.00 0.00 N ATOM 36 CA LEU A 6 -1.850 8.558 6.576 1.00 0.00 C ATOM 37 C LEU A 6 -0.878 7.797 7.466 1.00 0.00 C ATOM 38 O LEU A 6 -1.091 6.629 7.788 1.00 0.00 O ATOM 39 CB LEU A 6 -1.320 8.585 5.139 1.00 0.00 C ATOM 40 CG LEU A 6 -2.295 8.088 4.071 1.00 0.00 C ATOM 41 CD1 LEU A 6 -1.579 7.191 3.067 1.00 0.00 C ATOM 42 CD2 LEU A 6 -3.456 7.351 4.714 1.00 0.00 C ATOM 0 H LEU A 6 -1.774 10.648 6.408 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.813 8.047 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.031 9.607 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.416 7.978 5.092 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.690 8.952 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.289 6.847 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.780 7.753 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.155 6.331 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.140 7.004 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.078 6.496 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.984 8.023 5.390 1.00 0.00 H new ATOM 54 N GLU A 7 0.195 8.474 7.845 1.00 0.00 N ATOM 55 CA GLU A 7 1.229 7.880 8.685 1.00 0.00 C ATOM 56 C GLU A 7 0.685 7.493 10.055 1.00 0.00 C ATOM 57 O GLU A 7 1.332 6.759 10.803 1.00 0.00 O ATOM 58 CB GLU A 7 2.397 8.855 8.849 1.00 0.00 C ATOM 59 CG GLU A 7 2.704 9.198 10.297 1.00 0.00 C ATOM 60 CD GLU A 7 4.134 9.661 10.495 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.952 9.476 9.568 1.00 0.00 O ATOM 62 OE2 GLU A 7 4.438 10.207 11.576 1.00 0.00 O ATOM 0 H GLU A 7 0.375 9.443 7.583 1.00 0.00 H new ATOM 0 HA GLU A 7 1.576 6.973 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.287 8.424 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.172 9.773 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.023 9.979 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.519 8.324 10.921 1.00 0.00 H new ATOM 69 N THR A 8 -0.501 7.989 10.386 1.00 0.00 N ATOM 70 CA THR A 8 -1.111 7.687 11.674 1.00 0.00 C ATOM 71 C THR A 8 -2.071 6.510 11.569 1.00 0.00 C ATOM 72 O THR A 8 -2.586 6.027 12.576 1.00 0.00 O ATOM 73 CB THR A 8 -1.842 8.915 12.220 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.237 8.705 13.565 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.080 9.277 11.431 1.00 0.00 C ATOM 0 H THR A 8 -1.056 8.598 9.785 1.00 0.00 H new ATOM 0 HA THR A 8 -0.313 7.413 12.364 1.00 0.00 H new ATOM 0 HB THR A 8 -1.128 9.735 12.139 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.345 7.745 13.728 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.549 10.156 11.873 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.804 9.493 10.399 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.781 8.443 11.452 1.00 0.00 H new ATOM 83 N TYR A 9 -2.309 6.050 10.346 1.00 0.00 N ATOM 84 CA TYR A 9 -3.207 4.933 10.122 1.00 0.00 C ATOM 85 C TYR A 9 -2.486 3.605 10.300 1.00 0.00 C ATOM 86 O TYR A 9 -1.256 3.543 10.283 1.00 0.00 O ATOM 87 CB TYR A 9 -3.819 5.016 8.728 1.00 0.00 C ATOM 88 CG TYR A 9 -4.826 6.126 8.597 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.420 7.420 8.312 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.180 5.884 8.771 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.335 8.446 8.201 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.104 6.903 8.663 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.679 8.184 8.378 1.00 0.00 C ATOM 94 OH TYR A 9 -7.596 9.204 8.271 1.00 0.00 O ATOM 0 H TYR A 9 -1.892 6.435 9.499 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.004 4.989 10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.025 5.164 7.996 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.299 4.067 8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.369 7.629 8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.517 4.882 8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.002 9.449 7.977 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.155 6.699 8.801 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.497 8.851 8.422 1.00 0.00 H new ATOM 104 N GLU A 10 -3.264 2.547 10.481 1.00 0.00 N ATOM 105 CA GLU A 10 -2.713 1.215 10.676 1.00 0.00 C ATOM 106 C GLU A 10 -2.175 0.638 9.379 1.00 0.00 C ATOM 107 O GLU A 10 -2.259 -0.569 9.155 1.00 0.00 O ATOM 108 CB GLU A 10 -3.786 0.275 11.220 1.00 0.00 C ATOM 109 CG GLU A 10 -3.259 -1.102 11.580 1.00 0.00 C ATOM 110 CD GLU A 10 -2.675 -1.160 12.978 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.572 -0.095 13.623 1.00 0.00 O ATOM 112 OE2 GLU A 10 -2.323 -2.270 13.430 1.00 0.00 O ATOM 0 H GLU A 10 -4.283 2.587 10.497 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.893 1.305 11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.238 0.725 12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.576 0.170 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.068 -1.828 11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.495 -1.393 10.859 1.00 0.00 H new ATOM 119 N TRP A 11 -1.638 1.479 8.509 1.00 0.00 N ATOM 120 CA TRP A 11 -1.136 0.975 7.245 1.00 0.00 C ATOM 121 C TRP A 11 -0.118 1.892 6.569 1.00 0.00 C ATOM 122 O TRP A 11 0.517 1.480 5.600 1.00 0.00 O ATOM 123 CB TRP A 11 -2.310 0.726 6.308 1.00 0.00 C ATOM 124 CG TRP A 11 -3.467 1.647 6.556 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.443 1.508 7.503 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.771 2.851 5.846 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.333 2.549 7.422 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.943 3.385 6.409 1.00 0.00 C ATOM 129 CE3 TRP A 11 -3.166 3.529 4.788 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.520 4.560 5.948 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.741 4.700 4.333 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.910 5.203 4.912 1.00 0.00 C ATOM 0 H TRP A 11 -1.541 2.485 8.649 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.604 0.049 7.465 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.975 0.842 5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.644 -0.305 6.420 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.505 0.696 8.212 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.151 2.679 8.018 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.265 3.146 4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.422 4.952 6.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.280 5.236 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.338 6.119 4.531 1.00 0.00 H new ATOM 143 N TYR A 12 0.062 3.117 7.051 1.00 0.00 N ATOM 144 CA TYR A 12 1.031 3.993 6.410 1.00 0.00 C ATOM 145 C TYR A 12 2.399 3.894 7.060 1.00 0.00 C ATOM 146 O TYR A 12 2.580 4.254 8.225 1.00 0.00 O ATOM 147 CB TYR A 12 0.604 5.457 6.389 1.00 0.00 C ATOM 148 CG TYR A 12 1.593 6.287 5.603 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.571 5.652 4.853 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.574 7.676 5.609 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.498 6.362 4.130 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.506 8.402 4.887 1.00 0.00 C ATOM 153 CZ TYR A 12 3.467 7.738 4.148 1.00 0.00 C ATOM 154 OH TYR A 12 4.397 8.454 3.432 1.00 0.00 O ATOM 0 H TYR A 12 -0.430 3.513 7.852 1.00 0.00 H new ATOM 0 HA TYR A 12 1.085 3.640 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.388 5.546 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.532 5.835 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.605 4.573 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.823 8.196 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.247 5.843 3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.482 9.482 4.901 1.00 0.00 H new ATOM 0 HH TYR A 12 3.947 9.167 2.932 1.00 0.00 H new ATOM 164 N ASN A 13 3.362 3.428 6.283 1.00 0.00 N ATOM 165 CA ASN A 13 4.729 3.299 6.743 1.00 0.00 C ATOM 166 C ASN A 13 5.601 4.333 6.035 1.00 0.00 C ATOM 167 O ASN A 13 5.462 4.548 4.832 1.00 0.00 O ATOM 168 CB ASN A 13 5.236 1.887 6.475 1.00 0.00 C ATOM 169 CG ASN A 13 5.618 1.163 7.749 1.00 0.00 C ATOM 170 OD1 ASN A 13 6.581 1.531 8.422 1.00 0.00 O ATOM 171 ND2 ASN A 13 4.858 0.130 8.091 1.00 0.00 N ATOM 0 H ASN A 13 3.216 3.130 5.319 1.00 0.00 H new ATOM 0 HA ASN A 13 4.774 3.479 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.465 1.319 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.100 1.933 5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.062 -0.394 8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.069 -0.140 7.503 1.00 0.00 H new ATOM 178 N LYS A 14 6.478 4.990 6.787 1.00 0.00 N ATOM 179 CA LYS A 14 7.344 6.019 6.219 1.00 0.00 C ATOM 180 C LYS A 14 7.963 5.565 4.900 1.00 0.00 C ATOM 181 O LYS A 14 7.458 4.653 4.246 1.00 0.00 O ATOM 182 CB LYS A 14 8.446 6.400 7.212 1.00 0.00 C ATOM 183 CG LYS A 14 9.395 5.258 7.539 1.00 0.00 C ATOM 184 CD LYS A 14 8.637 4.016 7.965 1.00 0.00 C ATOM 185 CE LYS A 14 7.937 4.218 9.299 1.00 0.00 C ATOM 186 NZ LYS A 14 8.607 3.468 10.397 1.00 0.00 N ATOM 0 H LYS A 14 6.608 4.830 7.786 1.00 0.00 H new ATOM 0 HA LYS A 14 6.726 6.894 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.020 7.232 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.985 6.753 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.008 5.031 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.074 5.563 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.902 3.759 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.327 3.175 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.920 5.280 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.900 3.893 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.099 3.632 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.601 2.452 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.589 3.796 10.492 1.00 0.00 H new ATOM 200 N SER A 15 9.057 6.211 4.514 1.00 0.00 N ATOM 201 CA SER A 15 9.747 5.881 3.270 1.00 0.00 C ATOM 202 C SER A 15 9.941 4.377 3.138 1.00 0.00 C ATOM 203 O SER A 15 10.420 3.888 2.115 1.00 0.00 O ATOM 204 CB SER A 15 11.101 6.590 3.211 1.00 0.00 C ATOM 205 OG SER A 15 11.318 7.375 4.371 1.00 0.00 O ATOM 0 H SER A 15 9.487 6.968 5.045 1.00 0.00 H new ATOM 0 HA SER A 15 9.129 6.222 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.897 5.852 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.144 7.224 2.326 1.00 0.00 H new ATOM 0 HG SER A 15 12.191 7.816 4.309 1.00 0.00 H new ATOM 211 N ILE A 16 9.564 3.650 4.181 1.00 0.00 N ATOM 212 CA ILE A 16 9.692 2.199 4.190 1.00 0.00 C ATOM 213 C ILE A 16 9.905 1.650 2.782 1.00 0.00 C ATOM 214 O ILE A 16 11.034 1.568 2.303 1.00 0.00 O ATOM 215 CB ILE A 16 8.453 1.540 4.809 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.477 1.696 6.332 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.373 0.074 4.412 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.617 0.388 7.080 1.00 0.00 C ATOM 0 H ILE A 16 9.166 4.043 5.034 1.00 0.00 H new ATOM 0 HA ILE A 16 10.565 1.960 4.797 1.00 0.00 H new ATOM 0 HB ILE A 16 7.562 2.040 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.304 2.351 6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.559 2.190 6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.488 -0.377 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.311 -0.006 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.263 -0.447 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.626 0.581 8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.777 -0.262 6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.549 -0.098 6.791 1.00 0.00 H new ATOM 230 N SER A 17 8.810 1.273 2.127 1.00 0.00 N ATOM 231 CA SER A 17 8.869 0.727 0.779 1.00 0.00 C ATOM 232 C SER A 17 7.957 -0.487 0.661 1.00 0.00 C ATOM 233 O SER A 17 7.955 -1.356 1.533 1.00 0.00 O ATOM 234 CB SER A 17 10.304 0.340 0.418 1.00 0.00 C ATOM 235 OG SER A 17 10.349 -0.370 -0.808 1.00 0.00 O ATOM 0 H SER A 17 7.868 1.337 2.513 1.00 0.00 H new ATOM 0 HA SER A 17 8.529 1.494 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.918 1.237 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.729 -0.273 1.213 1.00 0.00 H new ATOM 0 HG SER A 17 11.278 -0.604 -1.017 1.00 0.00 H new ATOM 241 N ARG A 18 7.181 -0.543 -0.414 1.00 0.00 N ATOM 242 CA ARG A 18 6.269 -1.653 -0.625 1.00 0.00 C ATOM 243 C ARG A 18 7.026 -2.974 -0.634 1.00 0.00 C ATOM 244 O ARG A 18 6.453 -4.026 -0.350 1.00 0.00 O ATOM 245 CB ARG A 18 5.513 -1.475 -1.944 1.00 0.00 C ATOM 246 CG ARG A 18 6.371 -1.717 -3.175 1.00 0.00 C ATOM 247 CD ARG A 18 7.521 -0.726 -3.255 1.00 0.00 C ATOM 248 NE ARG A 18 7.948 -0.493 -4.630 1.00 0.00 N ATOM 249 CZ ARG A 18 9.196 -0.194 -4.974 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.136 -0.092 -4.044 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.506 0.004 -6.247 1.00 0.00 N ATOM 0 H ARG A 18 7.167 0.165 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 18 5.552 -1.668 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.665 -2.160 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.108 -0.464 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.765 -2.733 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.756 -1.635 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.217 0.219 -2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.363 -1.100 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 18 7.249 -0.564 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.901 -0.243 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.094 0.138 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.786 -0.073 -6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.465 0.233 -6.509 1.00 0.00 H new ATOM 265 N ASP A 19 8.318 -2.917 -0.947 1.00 0.00 N ATOM 266 CA ASP A 19 9.132 -4.129 -0.968 1.00 0.00 C ATOM 267 C ASP A 19 9.269 -4.677 0.440 1.00 0.00 C ATOM 268 O ASP A 19 9.136 -5.883 0.684 1.00 0.00 O ATOM 269 CB ASP A 19 10.516 -3.830 -1.545 1.00 0.00 C ATOM 270 CG ASP A 19 11.185 -5.064 -2.115 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.465 -6.026 -2.455 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.429 -5.068 -2.225 1.00 0.00 O ATOM 0 H ASP A 19 8.817 -2.060 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 19 8.643 -4.871 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.425 -3.076 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.148 -3.406 -0.765 1.00 0.00 H new ATOM 277 N LYS A 20 9.477 -3.765 1.376 1.00 0.00 N ATOM 278 CA LYS A 20 9.580 -4.123 2.772 1.00 0.00 C ATOM 279 C LYS A 20 8.185 -4.372 3.295 1.00 0.00 C ATOM 280 O LYS A 20 7.937 -5.335 4.020 1.00 0.00 O ATOM 281 CB LYS A 20 10.278 -3.016 3.556 1.00 0.00 C ATOM 282 CG LYS A 20 9.555 -2.618 4.824 1.00 0.00 C ATOM 283 CD LYS A 20 10.453 -1.791 5.726 1.00 0.00 C ATOM 284 CE LYS A 20 11.387 -0.903 4.918 1.00 0.00 C ATOM 285 NZ LYS A 20 12.716 -0.752 5.575 1.00 0.00 N ATOM 0 H LYS A 20 9.578 -2.768 1.188 1.00 0.00 H new ATOM 0 HA LYS A 20 10.180 -5.025 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.286 -3.344 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.380 -2.139 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.661 -2.047 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.225 -3.511 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.841 -1.174 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.039 -2.453 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.520 -1.327 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.932 0.079 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.323 -0.140 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.592 -0.324 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.162 -1.686 5.676 1.00 0.00 H new ATOM 299 N ALA A 21 7.265 -3.520 2.859 1.00 0.00 N ATOM 300 CA ALA A 21 5.870 -3.666 3.215 1.00 0.00 C ATOM 301 C ALA A 21 5.395 -5.002 2.677 1.00 0.00 C ATOM 302 O ALA A 21 4.709 -5.764 3.361 1.00 0.00 O ATOM 303 CB ALA A 21 5.047 -2.522 2.643 1.00 0.00 C ATOM 0 H ALA A 21 7.466 -2.721 2.257 1.00 0.00 H new ATOM 0 HA ALA A 21 5.748 -3.635 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.001 -2.651 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.414 -1.576 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.135 -2.518 1.557 1.00 0.00 H new ATOM 309 N GLU A 22 5.821 -5.296 1.450 1.00 0.00 N ATOM 310 CA GLU A 22 5.496 -6.557 0.813 1.00 0.00 C ATOM 311 C GLU A 22 6.196 -7.673 1.561 1.00 0.00 C ATOM 312 O GLU A 22 5.579 -8.666 1.948 1.00 0.00 O ATOM 313 CB GLU A 22 5.927 -6.550 -0.655 1.00 0.00 C ATOM 314 CG GLU A 22 4.978 -5.788 -1.563 1.00 0.00 C ATOM 315 CD GLU A 22 3.714 -6.566 -1.868 1.00 0.00 C ATOM 316 OE1 GLU A 22 3.806 -7.602 -2.560 1.00 0.00 O ATOM 317 OE2 GLU A 22 2.630 -6.140 -1.417 1.00 0.00 O ATOM 0 H GLU A 22 6.393 -4.672 0.881 1.00 0.00 H new ATOM 0 HA GLU A 22 4.417 -6.711 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.921 -6.110 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.006 -7.579 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.713 -4.841 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.487 -5.549 -2.497 1.00 0.00 H new ATOM 324 N LYS A 23 7.490 -7.479 1.793 1.00 0.00 N ATOM 325 CA LYS A 23 8.276 -8.451 2.536 1.00 0.00 C ATOM 326 C LYS A 23 7.631 -8.684 3.893 1.00 0.00 C ATOM 327 O LYS A 23 7.413 -9.819 4.313 1.00 0.00 O ATOM 328 CB LYS A 23 9.715 -7.964 2.709 1.00 0.00 C ATOM 329 CG LYS A 23 10.123 -7.776 4.162 1.00 0.00 C ATOM 330 CD LYS A 23 11.580 -7.362 4.281 1.00 0.00 C ATOM 331 CE LYS A 23 11.718 -5.871 4.546 1.00 0.00 C ATOM 332 NZ LYS A 23 12.300 -5.596 5.888 1.00 0.00 N ATOM 0 H LYS A 23 8.012 -6.661 1.478 1.00 0.00 H new ATOM 0 HA LYS A 23 8.303 -9.388 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.391 -8.679 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.836 -7.018 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.489 -7.019 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.961 -8.704 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.053 -7.921 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.108 -7.619 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.349 -5.423 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.739 -5.397 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.377 -4.568 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.685 -6.001 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.245 -6.026 5.951 1.00 0.00 H new ATOM 346 N LEU A 24 7.307 -7.591 4.564 1.00 0.00 N ATOM 347 CA LEU A 24 6.656 -7.655 5.864 1.00 0.00 C ATOM 348 C LEU A 24 5.229 -8.168 5.717 1.00 0.00 C ATOM 349 O LEU A 24 4.739 -8.926 6.555 1.00 0.00 O ATOM 350 CB LEU A 24 6.648 -6.282 6.538 1.00 0.00 C ATOM 351 CG LEU A 24 5.972 -5.162 5.743 1.00 0.00 C ATOM 352 CD1 LEU A 24 4.456 -5.256 5.852 1.00 0.00 C ATOM 353 CD2 LEU A 24 6.458 -3.804 6.228 1.00 0.00 C ATOM 0 H LEU A 24 7.485 -6.644 4.229 1.00 0.00 H new ATOM 0 HA LEU A 24 7.220 -8.345 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.148 -6.373 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.678 -5.990 6.740 1.00 0.00 H new ATOM 0 HG LEU A 24 6.243 -5.276 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.999 -4.449 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.122 -6.216 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.160 -5.170 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.969 -3.017 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.216 -3.687 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.537 -3.735 6.093 1.00 0.00 H new ATOM 365 N LEU A 25 4.558 -7.729 4.653 1.00 0.00 N ATOM 366 CA LEU A 25 3.177 -8.123 4.403 1.00 0.00 C ATOM 367 C LEU A 25 3.059 -9.601 4.062 1.00 0.00 C ATOM 368 O LEU A 25 2.272 -10.324 4.669 1.00 0.00 O ATOM 369 CB LEU A 25 2.585 -7.287 3.266 1.00 0.00 C ATOM 370 CG LEU A 25 1.885 -5.997 3.696 1.00 0.00 C ATOM 371 CD1 LEU A 25 2.514 -4.795 3.009 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.400 -6.074 3.382 1.00 0.00 C ATOM 0 H LEU A 25 4.950 -7.101 3.952 1.00 0.00 H new ATOM 0 HA LEU A 25 2.619 -7.944 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.385 -7.032 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.871 -7.903 2.719 1.00 0.00 H new ATOM 0 HG LEU A 25 2.006 -5.878 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.003 -3.886 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.568 -4.732 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.422 -4.904 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.086 -5.149 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.262 -6.214 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.042 -6.914 3.917 1.00 0.00 H new ATOM 384 N LEU A 26 3.841 -10.044 3.095 1.00 0.00 N ATOM 385 CA LEU A 26 3.810 -11.441 2.683 1.00 0.00 C ATOM 386 C LEU A 26 4.229 -12.343 3.835 1.00 0.00 C ATOM 387 O LEU A 26 3.753 -13.471 3.963 1.00 0.00 O ATOM 388 CB LEU A 26 4.708 -11.671 1.465 1.00 0.00 C ATOM 389 CG LEU A 26 6.111 -12.184 1.783 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.963 -12.230 0.525 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.758 -11.306 2.838 1.00 0.00 C ATOM 0 H LEU A 26 4.503 -9.463 2.581 1.00 0.00 H new ATOM 0 HA LEU A 26 2.787 -11.691 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.219 -12.384 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.796 -10.734 0.916 1.00 0.00 H new ATOM 0 HG LEU A 26 6.033 -13.199 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.959 -12.598 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.501 -12.896 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.041 -11.229 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.758 -11.679 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.826 -10.283 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.155 -11.324 3.746 1.00 0.00 H new ATOM 403 N ASP A 27 5.114 -11.829 4.679 1.00 0.00 N ATOM 404 CA ASP A 27 5.594 -12.573 5.833 1.00 0.00 C ATOM 405 C ASP A 27 4.471 -12.774 6.843 1.00 0.00 C ATOM 406 O ASP A 27 4.394 -13.806 7.509 1.00 0.00 O ATOM 407 CB ASP A 27 6.766 -11.843 6.491 1.00 0.00 C ATOM 408 CG ASP A 27 7.328 -12.603 7.676 1.00 0.00 C ATOM 409 OD1 ASP A 27 6.533 -13.022 8.544 1.00 0.00 O ATOM 410 OD2 ASP A 27 8.563 -12.777 7.738 1.00 0.00 O ATOM 0 H ASP A 27 5.515 -10.896 4.584 1.00 0.00 H new ATOM 0 HA ASP A 27 5.937 -13.550 5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.555 -11.689 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.438 -10.856 6.818 1.00 0.00 H new ATOM 415 N THR A 28 3.603 -11.777 6.944 1.00 0.00 N ATOM 416 CA THR A 28 2.477 -11.829 7.866 1.00 0.00 C ATOM 417 C THR A 28 1.471 -12.882 7.429 1.00 0.00 C ATOM 418 O THR A 28 1.029 -13.708 8.228 1.00 0.00 O ATOM 419 CB THR A 28 1.798 -10.461 7.958 1.00 0.00 C ATOM 420 OG1 THR A 28 1.282 -10.072 6.698 1.00 0.00 O ATOM 421 CG2 THR A 28 2.725 -9.364 8.433 1.00 0.00 C ATOM 0 H THR A 28 3.658 -10.918 6.396 1.00 0.00 H new ATOM 0 HA THR A 28 2.857 -12.101 8.851 1.00 0.00 H new ATOM 0 HB THR A 28 1.000 -10.583 8.691 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.939 -10.274 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.181 -8.421 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.102 -9.611 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.561 -9.269 7.740 1.00 0.00 H new ATOM 429 N GLY A 29 1.123 -12.847 6.153 1.00 0.00 N ATOM 430 CA GLY A 29 0.176 -13.809 5.616 1.00 0.00 C ATOM 431 C GLY A 29 -1.258 -13.510 6.010 1.00 0.00 C ATOM 432 O GLY A 29 -2.074 -14.423 6.134 1.00 0.00 O ATOM 0 H GLY A 29 1.478 -12.171 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.254 -13.820 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.443 -14.807 5.964 1.00 0.00 H new ATOM 436 N LYS A 30 -1.569 -12.233 6.203 1.00 0.00 N ATOM 437 CA LYS A 30 -2.920 -11.828 6.580 1.00 0.00 C ATOM 438 C LYS A 30 -3.698 -11.344 5.368 1.00 0.00 C ATOM 439 O LYS A 30 -3.438 -10.256 4.854 1.00 0.00 O ATOM 440 CB LYS A 30 -2.880 -10.709 7.620 1.00 0.00 C ATOM 441 CG LYS A 30 -1.477 -10.347 8.074 1.00 0.00 C ATOM 442 CD LYS A 30 -1.502 -9.291 9.169 1.00 0.00 C ATOM 443 CE LYS A 30 -1.450 -7.888 8.588 1.00 0.00 C ATOM 444 NZ LYS A 30 -2.796 -7.409 8.169 1.00 0.00 N ATOM 0 H LYS A 30 -0.908 -11.463 6.105 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.416 -12.701 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.358 -9.822 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.467 -11.010 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.970 -11.240 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.902 -9.979 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.406 -9.406 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.656 -9.440 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.036 -7.204 9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.777 -7.875 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.776 -6.376 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.057 -7.854 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.496 -7.662 8.895 1.00 0.00 H new ATOM 458 N GLU A 31 -4.661 -12.138 4.920 1.00 0.00 N ATOM 459 CA GLU A 31 -5.463 -11.743 3.779 1.00 0.00 C ATOM 460 C GLU A 31 -6.013 -10.342 4.012 1.00 0.00 C ATOM 461 O GLU A 31 -6.670 -10.086 5.020 1.00 0.00 O ATOM 462 CB GLU A 31 -6.613 -12.731 3.562 1.00 0.00 C ATOM 463 CG GLU A 31 -7.792 -12.506 4.495 1.00 0.00 C ATOM 464 CD GLU A 31 -7.367 -12.338 5.939 1.00 0.00 C ATOM 465 OE1 GLU A 31 -6.715 -13.257 6.479 1.00 0.00 O ATOM 466 OE2 GLU A 31 -7.685 -11.286 6.533 1.00 0.00 O ATOM 0 H GLU A 31 -4.900 -13.044 5.323 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.838 -11.746 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.957 -12.655 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.240 -13.746 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.340 -11.619 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.478 -13.349 4.418 1.00 0.00 H new ATOM 473 N GLY A 32 -5.732 -9.438 3.087 1.00 0.00 N ATOM 474 CA GLY A 32 -6.199 -8.080 3.231 1.00 0.00 C ATOM 475 C GLY A 32 -5.216 -7.202 3.971 1.00 0.00 C ATOM 476 O GLY A 32 -5.559 -6.096 4.380 1.00 0.00 O ATOM 0 H GLY A 32 -5.190 -9.621 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.386 -7.658 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.151 -8.082 3.763 1.00 0.00 H new ATOM 480 N ALA A 33 -3.988 -7.676 4.154 1.00 0.00 N ATOM 481 CA ALA A 33 -3.000 -6.875 4.868 1.00 0.00 C ATOM 482 C ALA A 33 -2.494 -5.748 3.979 1.00 0.00 C ATOM 483 O ALA A 33 -1.898 -5.997 2.938 1.00 0.00 O ATOM 484 CB ALA A 33 -1.842 -7.754 5.322 1.00 0.00 C ATOM 0 H ALA A 33 -3.659 -8.585 3.828 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.471 -6.437 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.110 -7.146 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.216 -8.534 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.370 -8.212 4.453 1.00 0.00 H new ATOM 490 N PHE A 34 -2.728 -4.503 4.385 1.00 0.00 N ATOM 491 CA PHE A 34 -2.278 -3.376 3.586 1.00 0.00 C ATOM 492 C PHE A 34 -1.397 -2.404 4.352 1.00 0.00 C ATOM 493 O PHE A 34 -1.377 -2.378 5.581 1.00 0.00 O ATOM 494 CB PHE A 34 -3.460 -2.630 2.974 1.00 0.00 C ATOM 495 CG PHE A 34 -4.533 -2.254 3.955 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.272 -1.377 4.998 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.810 -2.764 3.818 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.270 -1.022 5.883 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.810 -2.413 4.702 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.540 -1.540 5.735 1.00 0.00 C ATOM 0 H PHE A 34 -3.217 -4.255 5.245 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.665 -3.805 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.092 -1.724 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.900 -3.250 2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.279 -0.969 5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.028 -3.446 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.057 -0.339 6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.803 -2.821 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.321 -1.262 6.427 1.00 0.00 H new ATOM 510 N MET A 35 -0.700 -1.583 3.585 1.00 0.00 N ATOM 511 CA MET A 35 0.177 -0.550 4.114 1.00 0.00 C ATOM 512 C MET A 35 0.395 0.497 3.031 1.00 0.00 C ATOM 513 O MET A 35 0.537 0.154 1.861 1.00 0.00 O ATOM 514 CB MET A 35 1.511 -1.144 4.571 1.00 0.00 C ATOM 515 CG MET A 35 2.554 -1.212 3.471 1.00 0.00 C ATOM 516 SD MET A 35 3.657 0.215 3.468 1.00 0.00 S ATOM 517 CE MET A 35 3.408 0.833 1.806 1.00 0.00 C ATOM 0 H MET A 35 -0.727 -1.615 2.566 1.00 0.00 H new ATOM 0 HA MET A 35 -0.286 -0.089 4.986 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.902 -0.547 5.395 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.338 -2.148 4.959 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.143 -2.121 3.590 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.053 -1.281 2.505 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.755 1.865 1.746 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.970 0.219 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.347 0.792 1.558 1.00 0.00 H new ATOM 527 N VAL A 36 0.401 1.769 3.396 1.00 0.00 N ATOM 528 CA VAL A 36 0.574 2.819 2.409 1.00 0.00 C ATOM 529 C VAL A 36 1.992 3.367 2.435 1.00 0.00 C ATOM 530 O VAL A 36 2.589 3.528 3.497 1.00 0.00 O ATOM 531 CB VAL A 36 -0.446 3.952 2.620 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.835 3.484 2.217 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.434 4.428 4.064 1.00 0.00 C ATOM 0 H VAL A 36 0.290 2.095 4.356 1.00 0.00 H new ATOM 0 HA VAL A 36 0.397 2.380 1.427 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.166 4.795 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.550 4.292 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.831 3.197 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.121 2.627 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.163 5.229 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.690 3.598 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.559 4.799 4.317 1.00 0.00 H new ATOM 543 N ARG A 37 2.537 3.617 1.252 1.00 0.00 N ATOM 544 CA ARG A 37 3.893 4.108 1.133 1.00 0.00 C ATOM 545 C ARG A 37 3.949 5.528 0.586 1.00 0.00 C ATOM 546 O ARG A 37 3.110 5.937 -0.230 1.00 0.00 O ATOM 547 CB ARG A 37 4.711 3.181 0.234 1.00 0.00 C ATOM 548 CG ARG A 37 5.972 2.651 0.892 1.00 0.00 C ATOM 549 CD ARG A 37 6.804 3.773 1.489 1.00 0.00 C ATOM 550 NE ARG A 37 7.265 4.714 0.470 1.00 0.00 N ATOM 551 CZ ARG A 37 8.445 4.624 -0.133 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.279 3.641 0.179 1.00 0.00 N ATOM 553 NH2 ARG A 37 8.793 5.517 -1.048 1.00 0.00 N ATOM 0 H ARG A 37 2.055 3.486 0.362 1.00 0.00 H new ATOM 0 HA ARG A 37 4.317 4.123 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.088 2.339 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.984 3.718 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.704 1.940 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.566 2.108 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.213 4.306 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.664 3.350 2.008 1.00 0.00 H new ATOM 0 HE ARG A 37 6.647 5.482 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.015 2.952 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.185 3.574 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.154 6.275 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.699 5.447 -1.510 1.00 0.00 H new ATOM 567 N ASP A 38 4.968 6.256 1.043 1.00 0.00 N ATOM 568 CA ASP A 38 5.206 7.629 0.626 1.00 0.00 C ATOM 569 C ASP A 38 5.305 7.718 -0.887 1.00 0.00 C ATOM 570 O ASP A 38 5.794 6.798 -1.544 1.00 0.00 O ATOM 571 CB ASP A 38 6.486 8.165 1.269 1.00 0.00 C ATOM 572 CG ASP A 38 7.651 8.193 0.298 1.00 0.00 C ATOM 573 OD1 ASP A 38 7.542 8.873 -0.743 1.00 0.00 O ATOM 574 OD2 ASP A 38 8.673 7.531 0.581 1.00 0.00 O ATOM 0 H ASP A 38 5.651 5.905 1.714 1.00 0.00 H new ATOM 0 HA ASP A 38 4.365 8.239 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.306 9.172 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.746 7.545 2.127 1.00 0.00 H new ATOM 663 N TYR A 45 0.123 8.832 -2.528 1.00 0.00 N ATOM 664 CA TYR A 45 0.589 7.807 -1.596 1.00 0.00 C ATOM 665 C TYR A 45 0.302 6.420 -2.161 1.00 0.00 C ATOM 666 O TYR A 45 -0.699 6.225 -2.843 1.00 0.00 O ATOM 667 CB TYR A 45 -0.080 7.968 -0.230 1.00 0.00 C ATOM 668 CG TYR A 45 0.549 9.044 0.622 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.758 8.822 1.269 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.059 10.282 0.776 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.343 9.802 2.046 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.518 11.269 1.551 1.00 0.00 C ATOM 673 CZ TYR A 45 1.719 11.024 2.184 1.00 0.00 C ATOM 674 OH TYR A 45 2.299 12.005 2.957 1.00 0.00 O ATOM 0 HA TYR A 45 1.665 7.924 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.135 8.200 -0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.033 7.019 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.249 7.866 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.999 10.477 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.283 9.613 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.032 12.227 1.661 1.00 0.00 H new ATOM 0 HH TYR A 45 1.733 12.805 2.949 1.00 0.00 H new ATOM 684 N THR A 46 1.187 5.464 -1.904 1.00 0.00 N ATOM 685 CA THR A 46 0.996 4.111 -2.425 1.00 0.00 C ATOM 686 C THR A 46 0.504 3.163 -1.335 1.00 0.00 C ATOM 687 O THR A 46 0.894 3.283 -0.176 1.00 0.00 O ATOM 688 CB THR A 46 2.296 3.586 -3.030 1.00 0.00 C ATOM 689 OG1 THR A 46 2.516 4.148 -4.312 1.00 0.00 O ATOM 690 CG2 THR A 46 2.319 2.082 -3.178 1.00 0.00 C ATOM 0 H THR A 46 2.032 5.594 -1.347 1.00 0.00 H new ATOM 0 HA THR A 46 0.235 4.157 -3.204 1.00 0.00 H new ATOM 0 HB THR A 46 3.080 3.879 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.886 4.884 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.270 1.774 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.201 1.618 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.503 1.768 -3.829 1.00 0.00 H new ATOM 698 N VAL A 47 -0.363 2.220 -1.710 1.00 0.00 N ATOM 699 CA VAL A 47 -0.900 1.265 -0.751 1.00 0.00 C ATOM 700 C VAL A 47 -0.443 -0.159 -1.046 1.00 0.00 C ATOM 701 O VAL A 47 -0.536 -0.637 -2.177 1.00 0.00 O ATOM 702 CB VAL A 47 -2.441 1.288 -0.717 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.969 0.214 0.228 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.952 2.663 -0.311 1.00 0.00 C ATOM 0 H VAL A 47 -0.703 2.101 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.513 1.573 0.220 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.810 1.074 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.059 0.244 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.637 -0.766 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.590 0.396 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.042 2.656 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.575 2.913 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.605 3.406 -1.029 1.00 0.00 H new ATOM 714 N SER A 48 0.027 -0.835 -0.002 1.00 0.00 N ATOM 715 CA SER A 48 0.485 -2.217 -0.098 1.00 0.00 C ATOM 716 C SER A 48 -0.510 -3.124 0.614 1.00 0.00 C ATOM 717 O SER A 48 -0.668 -3.043 1.832 1.00 0.00 O ATOM 718 CB SER A 48 1.885 -2.357 0.516 1.00 0.00 C ATOM 719 OG SER A 48 2.486 -1.087 0.703 1.00 0.00 O ATOM 0 H SER A 48 0.101 -0.440 0.935 1.00 0.00 H new ATOM 0 HA SER A 48 0.547 -2.510 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.817 -2.875 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.512 -2.968 -0.134 1.00 0.00 H new ATOM 0 HG SER A 48 2.568 -0.633 -0.162 1.00 0.00 H new ATOM 725 N VAL A 49 -1.200 -3.961 -0.163 1.00 0.00 N ATOM 726 CA VAL A 49 -2.208 -4.864 0.373 1.00 0.00 C ATOM 727 C VAL A 49 -1.809 -6.326 0.196 1.00 0.00 C ATOM 728 O VAL A 49 -1.174 -6.695 -0.796 1.00 0.00 O ATOM 729 CB VAL A 49 -3.571 -4.617 -0.295 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.684 -4.601 0.742 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.542 -3.312 -1.076 1.00 0.00 C ATOM 0 H VAL A 49 -1.074 -4.029 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.287 -4.658 1.440 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.771 -5.433 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.639 -4.425 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.714 -5.561 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.497 -3.806 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.512 -3.147 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.322 -2.487 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.772 -3.365 -1.845 1.00 0.00 H new ATOM 741 N PHE A 50 -2.176 -7.156 1.174 1.00 0.00 N ATOM 742 CA PHE A 50 -1.844 -8.574 1.139 1.00 0.00 C ATOM 743 C PHE A 50 -3.077 -9.448 1.312 1.00 0.00 C ATOM 744 O PHE A 50 -3.790 -9.339 2.314 1.00 0.00 O ATOM 745 CB PHE A 50 -0.828 -8.901 2.231 1.00 0.00 C ATOM 746 CG PHE A 50 -0.374 -10.332 2.209 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.654 -11.143 1.122 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.335 -10.862 3.270 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.234 -12.461 1.096 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.759 -12.175 3.251 1.00 0.00 C ATOM 751 CZ PHE A 50 0.474 -12.976 2.162 1.00 0.00 C ATOM 0 H PHE A 50 -2.703 -6.867 1.998 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.416 -8.786 0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.039 -8.250 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.267 -8.681 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.206 -10.742 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.560 -10.241 4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.460 -13.085 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.313 -12.576 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.805 -14.004 2.145 1.00 0.00 H new ATOM 761 N THR A 51 -3.304 -10.321 0.328 1.00 0.00 N ATOM 762 CA THR A 51 -4.434 -11.240 0.340 1.00 0.00 C ATOM 763 C THR A 51 -3.963 -12.683 0.500 1.00 0.00 C ATOM 764 O THR A 51 -2.957 -13.086 -0.082 1.00 0.00 O ATOM 765 CB THR A 51 -5.241 -11.100 -0.950 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.598 -10.812 -0.665 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.206 -12.342 -1.814 1.00 0.00 C ATOM 0 H THR A 51 -2.709 -10.407 -0.496 1.00 0.00 H new ATOM 0 HA THR A 51 -5.067 -10.986 1.191 1.00 0.00 H new ATOM 0 HB THR A 51 -4.772 -10.282 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.648 -10.168 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.798 -12.176 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.176 -12.562 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.619 -13.184 -1.258 1.00 0.00 H new ATOM 775 N LYS A 52 -4.701 -13.457 1.290 1.00 0.00 N ATOM 776 CA LYS A 52 -4.361 -14.857 1.522 1.00 0.00 C ATOM 777 C LYS A 52 -5.211 -15.777 0.652 1.00 0.00 C ATOM 778 O LYS A 52 -6.427 -15.861 0.823 1.00 0.00 O ATOM 779 CB LYS A 52 -4.552 -15.212 2.998 1.00 0.00 C ATOM 780 CG LYS A 52 -5.907 -15.829 3.304 1.00 0.00 C ATOM 781 CD LYS A 52 -6.281 -15.653 4.766 1.00 0.00 C ATOM 782 CE LYS A 52 -6.654 -16.977 5.410 1.00 0.00 C ATOM 783 NZ LYS A 52 -6.047 -18.133 4.693 1.00 0.00 N ATOM 0 H LYS A 52 -5.537 -13.139 1.780 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.314 -14.999 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.769 -15.907 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.428 -14.311 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.668 -15.368 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.889 -16.891 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.445 -15.208 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.118 -14.959 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.325 -16.981 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.739 -17.084 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.045 -18.966 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.602 -18.341 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.070 -17.900 4.423 1.00 0.00 H new ATOM 797 N ALA A 53 -4.564 -16.465 -0.282 1.00 0.00 N ATOM 798 CA ALA A 53 -5.253 -17.377 -1.179 1.00 0.00 C ATOM 799 C ALA A 53 -4.993 -18.829 -0.789 1.00 0.00 C ATOM 800 O ALA A 53 -3.954 -19.149 -0.212 1.00 0.00 O ATOM 801 CB ALA A 53 -4.824 -17.129 -2.617 1.00 0.00 C ATOM 0 H ALA A 53 -3.557 -16.406 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.324 -17.191 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.348 -17.820 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.067 -16.104 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.749 -17.285 -2.708 1.00 0.00 H new ATOM 885 N PRO A 59 -1.129 -16.935 -0.896 1.00 0.00 N ATOM 886 CA PRO A 59 -1.304 -15.564 -0.407 1.00 0.00 C ATOM 887 C PRO A 59 -0.713 -14.530 -1.356 1.00 0.00 C ATOM 888 O PRO A 59 0.501 -14.321 -1.385 1.00 0.00 O ATOM 889 CB PRO A 59 -0.547 -15.564 0.922 1.00 0.00 C ATOM 890 CG PRO A 59 -0.572 -16.984 1.373 1.00 0.00 C ATOM 891 CD PRO A 59 -0.531 -17.817 0.122 1.00 0.00 C ATOM 0 HA PRO A 59 -2.356 -15.295 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.475 -15.207 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.026 -14.909 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.280 -17.204 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.471 -17.194 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.489 -18.099 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.098 -18.741 0.236 1.00 0.00 H new ATOM 899 N CYS A 60 -1.576 -13.877 -2.130 1.00 0.00 N ATOM 900 CA CYS A 60 -1.131 -12.862 -3.075 1.00 0.00 C ATOM 901 C CYS A 60 -1.274 -11.467 -2.478 1.00 0.00 C ATOM 902 O CYS A 60 -2.384 -11.001 -2.219 1.00 0.00 O ATOM 903 CB CYS A 60 -1.930 -12.959 -4.376 1.00 0.00 C ATOM 904 SG CYS A 60 -1.775 -14.548 -5.223 1.00 0.00 S ATOM 0 H CYS A 60 -2.584 -14.033 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.078 -13.039 -3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.982 -12.777 -4.157 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.603 -12.167 -5.050 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.488 -14.532 -6.310 1.00 0.00 H new ATOM 910 N ILE A 61 -0.142 -10.807 -2.263 1.00 0.00 N ATOM 911 CA ILE A 61 -0.130 -9.464 -1.696 1.00 0.00 C ATOM 912 C ILE A 61 0.307 -8.442 -2.739 1.00 0.00 C ATOM 913 O ILE A 61 1.303 -8.643 -3.437 1.00 0.00 O ATOM 914 CB ILE A 61 0.798 -9.396 -0.471 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.732 -8.193 -0.555 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.599 -10.683 -0.345 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.551 -7.996 0.700 1.00 0.00 C ATOM 0 H ILE A 61 0.783 -11.182 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.145 -9.226 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 61 0.178 -9.278 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.403 -8.319 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.144 -7.295 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.252 -10.622 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.918 -11.526 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.203 -10.825 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.196 -7.126 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.885 -7.840 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.164 -8.880 0.877 1.00 0.00 H new ATOM 929 N LYS A 62 -0.447 -7.350 -2.860 1.00 0.00 N ATOM 930 CA LYS A 62 -0.123 -6.317 -3.842 1.00 0.00 C ATOM 931 C LYS A 62 -0.434 -4.914 -3.316 1.00 0.00 C ATOM 932 O LYS A 62 -1.231 -4.744 -2.393 1.00 0.00 O ATOM 933 CB LYS A 62 -0.879 -6.585 -5.147 1.00 0.00 C ATOM 934 CG LYS A 62 -0.810 -5.439 -6.140 1.00 0.00 C ATOM 935 CD LYS A 62 -1.764 -4.320 -5.767 1.00 0.00 C ATOM 936 CE LYS A 62 -2.805 -4.782 -4.763 1.00 0.00 C ATOM 937 NZ LYS A 62 -3.992 -5.382 -5.433 1.00 0.00 N ATOM 0 H LYS A 62 -1.276 -7.159 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 62 0.949 -6.358 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.473 -7.483 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.924 -6.791 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.208 -5.052 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.051 -5.806 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.201 -3.485 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.262 -3.952 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.360 -5.514 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.121 -3.936 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.856 -4.915 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.912 -5.252 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.037 -6.398 -5.215 1.00 0.00 H new ATOM 951 N HIS A 63 0.213 -3.914 -3.914 1.00 0.00 N ATOM 952 CA HIS A 63 0.029 -2.516 -3.521 1.00 0.00 C ATOM 953 C HIS A 63 -0.502 -1.674 -4.678 1.00 0.00 C ATOM 954 O HIS A 63 -0.210 -1.952 -5.842 1.00 0.00 O ATOM 955 CB HIS A 63 1.363 -1.933 -3.053 1.00 0.00 C ATOM 956 CG HIS A 63 2.519 -2.860 -3.265 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.758 -2.455 -3.709 1.00 0.00 N ATOM 958 CD2 HIS A 63 2.605 -4.202 -3.087 1.00 0.00 C ATOM 959 CE1 HIS A 63 4.540 -3.541 -3.788 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.889 -4.626 -3.421 1.00 0.00 N ATOM 0 H HIS A 63 0.875 -4.048 -4.679 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.701 -2.491 -2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.551 -1.001 -3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.293 -1.687 -1.994 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.032 -1.499 -3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.805 -4.840 -2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.571 -3.528 -4.111 1.00 0.00 H new ATOM 968 N TYR A 64 -1.249 -0.617 -4.357 1.00 0.00 N ATOM 969 CA TYR A 64 -1.768 0.278 -5.388 1.00 0.00 C ATOM 970 C TYR A 64 -1.363 1.719 -5.108 1.00 0.00 C ATOM 971 O TYR A 64 -1.427 2.182 -3.968 1.00 0.00 O ATOM 972 CB TYR A 64 -3.299 0.217 -5.522 1.00 0.00 C ATOM 973 CG TYR A 64 -4.018 -0.637 -4.504 1.00 0.00 C ATOM 974 CD1 TYR A 64 -4.023 -2.019 -4.608 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.726 -0.056 -3.456 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.706 -2.799 -3.697 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.406 -0.828 -2.541 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.395 -2.200 -2.665 1.00 0.00 C ATOM 979 OH TYR A 64 -6.078 -2.978 -1.759 1.00 0.00 O ATOM 0 H TYR A 64 -1.505 -0.363 -3.403 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.331 -0.065 -6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.691 1.232 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.543 -0.156 -6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.484 -2.493 -5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.742 1.019 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.700 -3.875 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.945 -0.360 -1.730 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.412 -3.784 -2.206 1.00 0.00 H new ATOM 989 N HIS A 65 -0.968 2.431 -6.159 1.00 0.00 N ATOM 990 CA HIS A 65 -0.584 3.828 -6.023 1.00 0.00 C ATOM 991 C HIS A 65 -1.836 4.690 -5.984 1.00 0.00 C ATOM 992 O HIS A 65 -2.602 4.733 -6.946 1.00 0.00 O ATOM 993 CB HIS A 65 0.320 4.258 -7.180 1.00 0.00 C ATOM 994 CG HIS A 65 0.853 5.652 -7.033 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.363 6.285 -5.944 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 0.905 6.566 -8.062 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 1.729 7.581 -6.299 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 1.433 7.698 -7.579 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.906 2.064 -7.109 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.025 3.954 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.156 3.563 -7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.238 4.187 -8.113 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.578 6.399 -9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.165 8.334 -5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.587 8.542 -8.130 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.052 5.358 -4.861 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.230 6.200 -4.699 1.00 0.00 C ATOM 1008 C ILE A 66 -3.237 7.335 -5.715 1.00 0.00 C ATOM 1009 O ILE A 66 -2.388 8.219 -5.679 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.316 6.785 -3.273 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -2.773 5.782 -2.247 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.751 7.173 -2.943 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.840 5.060 -1.458 1.00 0.00 C ATOM 0 H ILE A 66 -1.431 5.335 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.100 5.565 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.701 7.684 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.160 5.045 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.118 6.309 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.794 7.584 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.098 7.922 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.389 6.292 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.370 4.371 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.439 5.785 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.482 4.502 -2.140 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.201 7.304 -6.629 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.309 8.338 -7.653 1.00 0.00 C ATOM 1027 C LYS A 67 -5.168 9.492 -7.157 1.00 0.00 C ATOM 1028 O LYS A 67 -6.260 9.284 -6.640 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.905 7.755 -8.936 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.085 6.621 -9.528 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.758 5.276 -9.310 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.590 4.367 -10.517 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.845 4.261 -11.312 1.00 0.00 N ATOM 0 H LYS A 67 -4.916 6.578 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.309 8.714 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.912 7.393 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.999 8.549 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.945 6.790 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.094 6.611 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.334 4.794 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.819 5.427 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.790 4.750 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.286 3.374 -10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.610 4.166 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.383 3.427 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.419 5.116 -11.170 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.670 10.712 -7.306 1.00 0.00 N ATOM 1048 CA GLU A 68 -5.411 11.885 -6.861 1.00 0.00 C ATOM 1049 C GLU A 68 -5.912 12.709 -8.046 1.00 0.00 C ATOM 1050 O GLU A 68 -5.365 12.628 -9.145 1.00 0.00 O ATOM 1051 CB GLU A 68 -4.543 12.739 -5.941 1.00 0.00 C ATOM 1052 CG GLU A 68 -5.142 12.915 -4.555 1.00 0.00 C ATOM 1053 CD GLU A 68 -4.176 13.562 -3.580 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -2.952 13.482 -3.816 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -4.644 14.148 -2.582 1.00 0.00 O ATOM 0 H GLU A 68 -3.764 10.915 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.283 11.543 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.559 12.280 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.397 13.719 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.043 13.525 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.446 11.942 -4.168 1.00 0.00 H new ATOM 1062 N THR A 69 -6.960 13.498 -7.814 1.00 0.00 N ATOM 1063 CA THR A 69 -7.536 14.330 -8.860 1.00 0.00 C ATOM 1064 C THR A 69 -7.379 15.813 -8.540 1.00 0.00 C ATOM 1065 O THR A 69 -6.349 16.243 -8.027 1.00 0.00 O ATOM 1066 CB THR A 69 -9.014 13.996 -9.055 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.805 14.617 -8.059 1.00 0.00 O ATOM 1068 CG2 THR A 69 -9.289 12.514 -9.008 1.00 0.00 C ATOM 0 H THR A 69 -7.425 13.576 -6.910 1.00 0.00 H new ATOM 0 HA THR A 69 -6.996 14.120 -9.783 1.00 0.00 H new ATOM 0 HB THR A 69 -9.274 14.370 -10.045 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.735 14.669 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.355 12.337 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.728 12.015 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.983 12.118 -8.040 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.421 14.119 -4.513 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.789 12.764 -4.247 1.00 0.00 C ATOM 1151 C ARG A 75 -8.656 11.827 -4.659 1.00 0.00 C ATOM 1152 O ARG A 75 -8.092 11.970 -5.743 1.00 0.00 O ATOM 1153 CB ARG A 75 -11.071 12.461 -5.003 1.00 0.00 C ATOM 1154 CG ARG A 75 -11.710 13.717 -5.550 1.00 0.00 C ATOM 1155 CD ARG A 75 -12.076 14.665 -4.421 1.00 0.00 C ATOM 1156 NE ARG A 75 -13.363 14.324 -3.820 1.00 0.00 N ATOM 1157 CZ ARG A 75 -13.787 14.805 -2.656 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -13.030 15.648 -1.970 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -14.970 14.444 -2.178 1.00 0.00 N ATOM 0 HA ARG A 75 -9.963 12.613 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.856 11.776 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.773 11.955 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.024 14.210 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.603 13.459 -6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.299 14.637 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.112 15.686 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.972 13.679 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.120 15.929 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.357 16.016 -1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.556 13.796 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.294 14.814 -1.284 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.337 10.865 -3.811 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.306 9.887 -4.113 1.00 0.00 C ATOM 1175 C TYR A 76 -7.978 8.594 -4.515 1.00 0.00 C ATOM 1176 O TYR A 76 -9.044 8.262 -3.996 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.399 9.617 -2.917 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.298 10.754 -1.944 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.555 12.055 -2.337 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.934 10.515 -0.630 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.454 13.098 -1.437 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.827 11.543 0.278 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.088 12.837 -0.127 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.983 13.872 0.774 1.00 0.00 O ATOM 0 H TYR A 76 -8.781 10.740 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.687 10.285 -4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.766 8.736 -2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.400 9.377 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.838 12.258 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.730 9.503 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.659 14.110 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.541 11.340 1.299 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.735 13.837 1.402 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.382 7.861 -5.430 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.990 6.617 -5.858 1.00 0.00 C ATOM 1196 C TYR A 77 -6.978 5.559 -6.244 1.00 0.00 C ATOM 1197 O TYR A 77 -6.031 5.812 -6.988 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.929 6.863 -7.046 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.260 7.518 -8.235 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.836 8.839 -8.164 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.059 6.825 -9.425 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -7.228 9.451 -9.245 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.451 7.432 -10.509 1.00 0.00 C ATOM 1204 CZ TYR A 77 -7.038 8.744 -10.413 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.433 9.351 -11.489 1.00 0.00 O ATOM 0 H TYR A 77 -6.499 8.095 -5.883 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.547 6.243 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.356 5.911 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.757 7.491 -6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.983 9.397 -7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.383 5.798 -9.503 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.903 10.479 -9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.301 6.881 -11.426 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.374 8.715 -12.233 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.256 4.348 -5.792 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.455 3.199 -6.139 1.00 0.00 C ATOM 1217 C VAL A 78 -7.378 2.278 -6.912 1.00 0.00 C ATOM 1218 O VAL A 78 -7.549 1.100 -6.602 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.908 2.490 -4.885 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.645 3.179 -4.389 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.965 2.462 -3.792 1.00 0.00 C ATOM 0 H VAL A 78 -8.042 4.140 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.584 3.491 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.655 1.463 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.274 2.664 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.885 3.152 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.870 4.216 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.565 1.958 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.245 3.482 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.844 1.925 -4.149 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.991 2.893 -7.914 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.952 2.257 -8.793 1.00 0.00 C ATOM 1233 C ALA A 79 -9.494 3.314 -9.749 1.00 0.00 C ATOM 1234 O ALA A 79 -9.352 4.506 -9.494 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.077 1.621 -7.995 1.00 0.00 C ATOM 0 H ALA A 79 -7.827 3.874 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.468 1.460 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.785 1.150 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.666 0.868 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.588 2.387 -7.413 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.090 2.895 -10.847 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.612 3.844 -11.822 1.00 0.00 C ATOM 1243 C GLU A 80 -12.008 4.341 -11.466 1.00 0.00 C ATOM 1244 O GLU A 80 -12.940 4.221 -12.260 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.612 3.224 -13.215 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.775 1.959 -13.317 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.884 1.947 -14.544 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.516 3.041 -15.021 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.554 0.844 -15.027 1.00 0.00 O ATOM 0 H GLU A 80 -10.227 1.914 -11.090 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.951 4.711 -11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.638 2.995 -13.502 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.237 3.957 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.158 1.863 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.435 1.092 -13.343 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.139 4.929 -10.282 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.426 5.477 -9.850 1.00 0.00 C ATOM 1258 C LYS A 81 -13.489 5.717 -8.338 1.00 0.00 C ATOM 1259 O LYS A 81 -14.509 6.174 -7.823 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.564 4.559 -10.294 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.849 4.754 -9.506 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.978 3.713 -8.410 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.395 2.385 -8.855 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.904 1.250 -8.036 1.00 0.00 N ATOM 0 H LYS A 81 -11.381 5.039 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.537 6.451 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.767 4.731 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.242 3.522 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.863 5.752 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.705 4.688 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.464 4.058 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.028 3.584 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.640 2.214 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.308 2.424 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.115 0.618 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.338 1.617 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.615 0.721 -8.580 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.403 5.427 -7.628 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.365 5.639 -6.181 1.00 0.00 C ATOM 1280 C TYR A 82 -11.371 6.744 -5.825 1.00 0.00 C ATOM 1281 O TYR A 82 -10.314 6.467 -5.264 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.963 4.357 -5.449 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.587 3.095 -6.002 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.331 2.677 -7.301 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.420 2.311 -5.212 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.889 1.513 -7.797 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.983 1.149 -5.704 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.713 0.754 -6.995 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.269 -0.405 -7.487 1.00 0.00 O ATOM 0 H TYR A 82 -11.543 5.048 -8.025 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.367 5.932 -5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.878 4.257 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.238 4.452 -4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.687 3.270 -7.933 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.630 2.615 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.680 1.200 -8.809 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.632 0.553 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.758 -0.863 -6.771 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.706 7.993 -6.154 1.00 0.00 N ATOM 1300 CA VAL A 83 -10.822 9.118 -5.873 1.00 0.00 C ATOM 1301 C VAL A 83 -11.332 9.943 -4.707 1.00 0.00 C ATOM 1302 O VAL A 83 -12.406 10.537 -4.786 1.00 0.00 O ATOM 1303 CB VAL A 83 -10.678 10.042 -7.099 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -9.389 10.849 -7.013 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.720 9.232 -8.387 1.00 0.00 C ATOM 0 H VAL A 83 -12.580 8.247 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.850 8.693 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.517 10.738 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.305 11.495 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.402 11.460 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.536 10.171 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.617 9.901 -9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.903 8.511 -8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.671 8.703 -8.453 1.00 0.00 H new ATOM 1315 N PHE A 84 -10.561 9.979 -3.625 1.00 0.00 N ATOM 1316 CA PHE A 84 -10.960 10.751 -2.453 1.00 0.00 C ATOM 1317 C PHE A 84 -9.778 11.354 -1.700 1.00 0.00 C ATOM 1318 O PHE A 84 -8.687 10.787 -1.653 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.797 9.881 -1.518 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.299 8.623 -2.168 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.412 7.635 -2.567 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.653 8.427 -2.381 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.867 6.476 -3.166 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.115 7.270 -2.980 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.220 6.292 -3.373 1.00 0.00 C ATOM 0 H PHE A 84 -9.670 9.491 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.556 11.589 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.199 9.617 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.647 10.460 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.353 7.773 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.357 9.187 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.165 5.714 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.174 7.130 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.578 5.387 -3.841 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.023 12.524 -1.116 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.005 13.247 -0.366 1.00 0.00 C ATOM 1337 C ASP A 85 -8.667 12.534 0.931 1.00 0.00 C ATOM 1338 O ASP A 85 -8.001 13.089 1.803 1.00 0.00 O ATOM 1339 CB ASP A 85 -9.478 14.671 -0.065 1.00 0.00 C ATOM 1340 CG ASP A 85 -10.803 14.989 -0.730 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -11.831 14.421 -0.307 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.811 15.807 -1.673 1.00 0.00 O ATOM 0 H ASP A 85 -10.928 12.994 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.105 13.288 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.575 14.799 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.724 15.381 -0.404 1.00 0.00 H new ATOM 1347 N SER A 86 -9.125 11.301 1.046 1.00 0.00 N ATOM 1348 CA SER A 86 -8.870 10.506 2.226 1.00 0.00 C ATOM 1349 C SER A 86 -8.421 9.111 1.827 1.00 0.00 C ATOM 1350 O SER A 86 -9.247 8.219 1.592 1.00 0.00 O ATOM 1351 CB SER A 86 -10.117 10.435 3.106 1.00 0.00 C ATOM 1352 OG SER A 86 -10.185 11.543 3.986 1.00 0.00 O ATOM 0 H SER A 86 -9.678 10.829 0.331 1.00 0.00 H new ATOM 0 HA SER A 86 -8.074 10.980 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.008 10.410 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.107 9.510 3.682 1.00 0.00 H new ATOM 0 HG SER A 86 -10.993 11.474 4.537 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.109 8.919 1.754 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.578 7.626 1.388 1.00 0.00 C ATOM 1360 C ILE A 87 -7.101 6.593 2.375 1.00 0.00 C ATOM 1361 O ILE A 87 -7.403 5.454 2.017 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.039 7.616 1.360 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.535 7.706 -0.081 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.502 6.368 2.027 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.739 8.960 -0.364 1.00 0.00 C ATOM 0 H ILE A 87 -6.408 9.635 1.942 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.908 7.386 0.377 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.678 8.484 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.915 6.835 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.388 7.665 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.412 6.380 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.836 6.337 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.870 5.487 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.413 8.957 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.362 9.835 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.867 8.993 0.289 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.279 7.005 3.635 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.838 6.140 4.659 1.00 0.00 C ATOM 1379 C PRO A 88 -9.293 5.852 4.322 1.00 0.00 C ATOM 1380 O PRO A 88 -9.793 4.744 4.526 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.729 6.961 5.950 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.850 8.122 5.614 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.012 8.354 4.140 1.00 0.00 C ATOM 0 HA PRO A 88 -7.328 5.181 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.710 7.296 6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.302 6.367 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.139 9.007 6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.810 7.909 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.833 9.038 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.114 8.784 3.696 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.954 6.868 3.762 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.341 6.740 3.346 1.00 0.00 C ATOM 1393 C LEU A 89 -11.414 5.810 2.156 1.00 0.00 C ATOM 1394 O LEU A 89 -12.169 4.837 2.153 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.915 8.099 2.967 1.00 0.00 C ATOM 1396 CG LEU A 89 -13.053 8.055 1.949 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.505 7.818 0.551 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -14.057 6.973 2.319 1.00 0.00 C ATOM 0 H LEU A 89 -9.545 7.786 3.589 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.925 6.337 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.275 8.590 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.112 8.717 2.566 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.565 9.017 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.328 7.789 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.823 8.626 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.970 6.869 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.861 6.956 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.558 6.004 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.472 7.183 3.305 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.578 6.084 1.164 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.522 5.223 0.002 1.00 0.00 C ATOM 1412 C LEU A 90 -10.013 3.880 0.486 1.00 0.00 C ATOM 1413 O LEU A 90 -10.487 2.817 0.065 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.637 5.818 -1.098 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.289 5.138 -1.305 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.712 5.506 -2.663 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.341 5.538 -0.201 1.00 0.00 C ATOM 0 H LEU A 90 -9.942 6.881 1.143 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.506 5.114 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.187 5.785 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.461 6.869 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.428 4.057 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.749 5.012 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.396 5.184 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.577 6.586 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.379 5.049 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.205 6.619 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.754 5.234 0.761 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.097 3.943 1.457 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.585 2.743 2.082 1.00 0.00 C ATOM 1431 C ILE A 91 -9.774 2.022 2.689 1.00 0.00 C ATOM 1432 O ILE A 91 -9.970 0.824 2.490 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.596 3.060 3.226 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.137 2.867 2.806 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.910 2.177 4.416 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -5.956 2.271 1.435 1.00 0.00 C ATOM 0 H ILE A 91 -8.703 4.812 1.818 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.059 2.151 1.333 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.718 4.111 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.632 3.832 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.644 2.225 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.215 2.397 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.930 2.367 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.812 1.130 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.892 2.170 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.428 1.289 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.416 2.922 0.692 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.592 2.794 3.413 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.797 2.263 4.029 1.00 0.00 C ATOM 1450 C GLN A 92 -12.728 1.753 2.946 1.00 0.00 C ATOM 1451 O GLN A 92 -13.354 0.701 3.081 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.489 3.334 4.874 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.726 3.928 4.219 1.00 0.00 C ATOM 1454 CD GLN A 92 -15.014 3.355 4.777 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.026 2.263 5.345 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -16.108 4.091 4.619 1.00 0.00 N ATOM 0 H GLN A 92 -10.435 3.788 3.582 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.529 1.439 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.770 2.901 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.779 4.135 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.723 5.009 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.687 3.746 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.053 4.991 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.003 3.757 4.975 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.795 2.511 1.859 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.628 2.149 0.724 1.00 0.00 C ATOM 1467 C TYR A 93 -13.163 0.826 0.142 1.00 0.00 C ATOM 1468 O TYR A 93 -13.968 -0.050 -0.175 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.583 3.241 -0.347 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.721 3.161 -1.340 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.710 2.221 -2.363 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.803 4.027 -1.254 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.749 2.146 -3.272 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.845 3.957 -2.160 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.813 3.015 -3.165 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.849 2.944 -4.069 1.00 0.00 O ATOM 0 H TYR A 93 -12.280 3.383 1.741 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.658 2.046 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.604 4.216 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.637 3.173 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.877 1.539 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.831 4.767 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.727 1.410 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.680 4.637 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.519 3.625 -3.853 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.850 0.684 0.023 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.261 -0.543 -0.505 1.00 0.00 C ATOM 1488 C HIS A 94 -11.343 -1.661 0.529 1.00 0.00 C ATOM 1489 O HIS A 94 -10.722 -2.711 0.378 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.808 -0.298 -0.926 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.684 0.792 -1.936 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.943 0.799 -3.264 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.276 2.066 -1.615 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.692 2.067 -3.719 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -9.294 2.814 -2.707 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.172 1.400 0.284 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.826 -0.850 -1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.216 -0.044 -0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.391 -1.218 -1.336 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.265 0.008 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.987 2.402 -0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.802 2.401 -4.740 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.126 -1.430 1.579 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.302 -2.421 2.636 1.00 0.00 C ATOM 1506 C GLN A 95 -13.769 -2.546 3.024 1.00 0.00 C ATOM 1507 O GLN A 95 -14.239 -3.627 3.377 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.463 -2.047 3.860 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.250 -1.322 4.938 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.355 -0.606 5.932 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -10.280 -0.006 5.435 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.628 -0.591 7.132 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.649 -0.566 1.721 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.964 -3.386 2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.031 -2.953 4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.633 -1.417 3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.919 -0.599 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.876 -2.039 5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.465 -1.066 7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.017 -0.104 7.788 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.483 -1.433 2.952 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.897 -1.408 3.289 1.00 0.00 C ATOM 1523 C TYR A 96 -16.753 -1.352 2.028 1.00 0.00 C ATOM 1524 O TYR A 96 -17.929 -1.714 2.046 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.210 -0.211 4.189 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.485 0.511 3.816 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.700 -0.160 3.775 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.473 1.865 3.505 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.868 0.495 3.434 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.637 2.529 3.164 1.00 0.00 C ATOM 1531 CZ TYR A 96 -19.831 1.840 3.130 1.00 0.00 C ATOM 1532 OH TYR A 96 -20.990 2.497 2.791 1.00 0.00 O ATOM 0 H TYR A 96 -14.104 -0.532 2.662 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.134 -2.326 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.285 -0.553 5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.378 0.492 4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.733 -1.213 4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.540 2.408 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.804 -0.043 3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.611 3.582 2.925 1.00 0.00 H new ATOM 0 HH TYR A 96 -20.790 3.439 2.607 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.150 -0.894 0.936 1.00 0.00 N ATOM 1543 CA ASN A 97 -16.848 -0.788 -0.335 1.00 0.00 C ATOM 1544 C ASN A 97 -16.497 -1.957 -1.249 1.00 0.00 C ATOM 1545 O ASN A 97 -15.996 -2.985 -0.794 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.499 0.535 -1.021 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.622 1.549 -0.927 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -17.531 2.442 0.053 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -18.558 1.532 -1.725 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.177 -0.590 0.908 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.919 -0.816 -0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.599 0.950 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.269 0.348 -2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.587 0.828 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.305 2.222 -1.649 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.768 -1.792 -2.539 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.477 -2.841 -3.498 1.00 0.00 C ATOM 1558 C GLY A 98 -15.393 -2.444 -4.481 1.00 0.00 C ATOM 1559 O GLY A 98 -15.640 -2.348 -5.683 1.00 0.00 O ATOM 0 H GLY A 98 -17.184 -0.950 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.168 -3.740 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.386 -3.091 -4.045 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.187 -2.214 -3.969 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.080 -1.827 -4.823 1.00 0.00 C ATOM 1565 C GLY A 99 -12.824 -2.830 -5.932 1.00 0.00 C ATOM 1566 O GLY A 99 -13.668 -3.679 -6.217 1.00 0.00 O ATOM 0 H GLY A 99 -13.958 -2.289 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.287 -0.851 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.179 -1.720 -4.219 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.655 -2.730 -6.559 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.313 -3.640 -7.637 1.00 0.00 C ATOM 1572 C GLY A 100 -9.914 -4.206 -7.495 1.00 0.00 C ATOM 1573 O GLY A 100 -9.391 -4.826 -8.422 1.00 0.00 O ATOM 0 H GLY A 100 -10.940 -2.036 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.032 -4.459 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.395 -3.117 -8.590 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.306 -3.995 -6.332 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.958 -4.488 -6.072 1.00 0.00 C ATOM 1579 C LEU A 101 -7.993 -5.664 -5.103 1.00 0.00 C ATOM 1580 O LEU A 101 -9.026 -5.954 -4.499 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.084 -3.369 -5.502 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.847 -2.171 -4.929 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.975 -2.292 -3.417 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.151 -0.873 -5.304 1.00 0.00 C ATOM 0 H LEU A 101 -9.726 -3.486 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.531 -4.827 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.454 -3.787 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.419 -3.013 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.849 -2.162 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.520 -1.432 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.515 -3.206 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.982 -2.325 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.705 -0.030 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.138 -0.874 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.111 -0.782 -6.389 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.858 -6.339 -4.953 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.764 -7.480 -4.050 1.00 0.00 C ATOM 1598 C VAL A 102 -7.853 -7.415 -2.988 1.00 0.00 C ATOM 1599 O VAL A 102 -7.693 -6.749 -1.965 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.392 -7.535 -3.356 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.876 -6.132 -3.085 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -5.482 -8.334 -2.064 1.00 0.00 C ATOM 0 H VAL A 102 -5.992 -6.116 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.892 -8.379 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.687 -8.035 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.905 -6.190 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.775 -5.593 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.578 -5.605 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.503 -8.363 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.200 -7.862 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.808 -9.350 -2.287 1.00 0.00 H new ATOM 1612 N THR A 103 -8.963 -8.101 -3.236 1.00 0.00 N ATOM 1613 CA THR A 103 -10.077 -8.103 -2.296 1.00 0.00 C ATOM 1614 C THR A 103 -10.133 -6.779 -1.546 1.00 0.00 C ATOM 1615 O THR A 103 -10.564 -6.716 -0.394 1.00 0.00 O ATOM 1616 CB THR A 103 -9.946 -9.264 -1.309 1.00 0.00 C ATOM 1617 OG1 THR A 103 -9.896 -8.786 0.024 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.713 -10.109 -1.542 1.00 0.00 C ATOM 0 H THR A 103 -9.115 -8.660 -4.075 1.00 0.00 H new ATOM 0 HA THR A 103 -11.003 -8.230 -2.857 1.00 0.00 H new ATOM 0 HB THR A 103 -10.828 -9.884 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.649 -8.179 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.680 -10.915 -0.809 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.747 -10.533 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.822 -9.489 -1.440 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.691 -5.726 -2.221 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.677 -4.386 -1.647 1.00 0.00 C ATOM 1628 C ARG A 104 -9.110 -4.396 -0.231 1.00 0.00 C ATOM 1629 O ARG A 104 -9.068 -5.435 0.427 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.089 -3.800 -1.638 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.895 -4.133 -2.884 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.360 -4.368 -2.555 1.00 0.00 C ATOM 1633 NE ARG A 104 -13.607 -5.733 -2.100 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.696 -6.102 -1.432 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.632 -5.208 -1.142 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -14.849 -7.363 -1.053 1.00 0.00 N ATOM 0 H ARG A 104 -9.334 -5.775 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.032 -3.763 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.621 -4.170 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.023 -2.717 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.809 -3.318 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.481 -5.022 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.675 -3.666 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.967 -4.165 -3.437 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.905 -6.444 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.517 -4.237 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.467 -5.492 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.131 -8.053 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.685 -7.644 -0.541 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.678 -3.227 0.232 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.118 -3.095 1.573 1.00 0.00 C ATOM 1652 C LEU A 105 -8.960 -3.868 2.580 1.00 0.00 C ATOM 1653 O LEU A 105 -10.168 -3.666 2.678 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.047 -1.620 1.972 1.00 0.00 C ATOM 1655 CG LEU A 105 -6.945 -0.819 1.282 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.693 -0.773 2.145 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.629 -1.420 -0.076 1.00 0.00 C ATOM 0 H LEU A 105 -8.705 -2.358 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.110 -3.510 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.007 -1.153 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.901 -1.557 3.050 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.300 0.202 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.920 -0.198 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.926 -0.301 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.334 -1.787 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.842 -0.839 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.294 -2.450 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.524 -1.403 -0.698 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.317 -4.763 3.318 1.00 0.00 N ATOM 1670 CA ARG A 106 -9.011 -5.572 4.304 1.00 0.00 C ATOM 1671 C ARG A 106 -8.406 -5.403 5.694 1.00 0.00 C ATOM 1672 O ARG A 106 -9.097 -5.043 6.647 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.968 -7.043 3.894 1.00 0.00 C ATOM 1674 CG ARG A 106 -10.329 -7.619 3.538 1.00 0.00 C ATOM 1675 CD ARG A 106 -11.314 -7.467 4.686 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.914 -8.244 5.857 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.339 -9.481 6.100 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.172 -10.076 5.257 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -10.929 -10.122 7.186 1.00 0.00 N ATOM 0 H ARG A 106 -7.316 -4.945 3.251 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.046 -5.234 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.302 -7.153 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.539 -7.626 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.719 -7.115 2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.224 -8.674 3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.393 -6.415 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -12.304 -7.787 4.359 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.274 -7.814 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.488 -9.585 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.497 -11.024 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.288 -9.667 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.255 -11.070 7.372 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.113 -5.679 5.799 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.404 -5.575 7.069 1.00 0.00 C ATOM 1695 C TYR A 107 -5.160 -4.704 6.940 1.00 0.00 C ATOM 1696 O TYR A 107 -4.321 -4.924 6.067 1.00 0.00 O ATOM 1697 CB TYR A 107 -6.003 -6.970 7.551 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.727 -7.044 9.037 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.230 -6.082 9.905 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.966 -8.077 9.571 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.980 -6.146 11.262 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -4.712 -8.147 10.928 1.00 0.00 C ATOM 1703 CZ TYR A 107 -5.222 -7.181 11.769 1.00 0.00 C ATOM 1704 OH TYR A 107 -4.973 -7.248 13.120 1.00 0.00 O ATOM 0 H TYR A 107 -6.531 -5.978 5.017 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.073 -5.110 7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.798 -7.673 7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.113 -7.290 7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.826 -5.271 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.567 -8.837 8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.376 -5.389 11.923 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.117 -8.955 11.328 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.425 -8.038 13.313 1.00 0.00 H new ATOM 1714 N PRO A 108 -5.023 -3.700 7.816 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.873 -2.795 7.808 1.00 0.00 C ATOM 1716 C PRO A 108 -2.599 -3.485 8.287 1.00 0.00 C ATOM 1717 O PRO A 108 -2.626 -4.275 9.230 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.269 -1.685 8.789 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.718 -1.895 9.076 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.970 -3.362 8.882 1.00 0.00 C ATOM 0 HA PRO A 108 -3.654 -2.432 6.804 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.677 -1.741 9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.095 -0.700 8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.963 -1.588 10.093 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.339 -1.301 8.406 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.780 -3.932 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.001 -3.563 8.590 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.485 -3.177 7.633 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.204 -3.762 7.992 1.00 0.00 C ATOM 1730 C VAL A 109 0.846 -2.686 8.243 1.00 0.00 C ATOM 1731 O VAL A 109 1.918 -2.697 7.637 1.00 0.00 O ATOM 1732 CB VAL A 109 0.304 -4.718 6.897 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.706 -5.208 7.223 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.652 -5.887 6.729 1.00 0.00 C ATOM 0 H VAL A 109 -1.446 -2.524 6.850 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.363 -4.327 8.911 1.00 0.00 H new ATOM 0 HB VAL A 109 0.347 -4.173 5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.048 -5.882 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.383 -4.356 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.694 -5.737 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.279 -6.553 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.728 -6.433 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.636 -5.514 6.446 1.00 0.00 H new ATOM 1744 N CYS A 110 0.534 -1.758 9.141 1.00 0.00 N ATOM 1745 CA CYS A 110 1.455 -0.676 9.471 1.00 0.00 C ATOM 1746 C CYS A 110 2.794 -1.228 9.948 1.00 0.00 C ATOM 1747 O CYS A 110 3.172 -1.054 11.106 1.00 0.00 O ATOM 1748 CB CYS A 110 0.850 0.226 10.547 1.00 0.00 C ATOM 1749 SG CYS A 110 -0.280 -0.624 11.675 1.00 0.00 S ATOM 0 H CYS A 110 -0.348 -1.733 9.653 1.00 0.00 H new ATOM 0 HA CYS A 110 1.625 -0.089 8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.657 0.673 11.127 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.316 1.043 10.062 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.406 0.070 12.767 1.00 0.00 H new ATOM 1755 N GLY A 111 3.506 -1.896 9.047 1.00 0.00 N ATOM 1756 CA GLY A 111 4.795 -2.464 9.395 1.00 0.00 C ATOM 1757 C GLY A 111 4.668 -3.723 10.230 1.00 0.00 C ATOM 1758 O GLY A 111 5.707 -4.363 10.501 1.00 0.00 O ATOM 0 H GLY A 111 3.214 -2.054 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.347 -2.691 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.378 -1.725 9.944 1.00 0.00 H new