USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 18 GLN : amide:sc= -0.127 K(o=2,f=1.4) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 1 USER MOD Set 1.3: A 87 TYR OH : rot 5:sc= 1.17 USER MOD Set 2.1: A 58 SER OG : rot 175:sc= 0 USER MOD Set 2.2: A 74 GLN : amide:sc= 0 K(o=0,f=-3.3) USER MOD Set 3.1: A 65 THR OG1 : rot 161:sc= 0.609 USER MOD Set 3.2: A 68 THR OG1 : rot 70:sc= 0.599 USER MOD Set 4.1: A 15 CYS SG : rot -51:sc= -1.55! USER MOD Set 4.2: A 32 CYS SG : rot -99:sc= -4.51! USER MOD Set 5.1: A 13 SER OG : rot -7:sc= 1.06 USER MOD Set 5.2: A 91 THR OG1 : rot 34:sc= 0.931 USER MOD Set 6.1: A 6 ASN : amide:sc= -7.6! K(o=-7.7!,f=-0.89) USER MOD Set 6.2: A 9 ASN : amide:sc= -0.0925 K(o=-7.7,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 11:sc= -0.0391 USER MOD Single : A 14 GLN : amide:sc=-0.00584 K(o=-0.0058,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ -134:sc= -2.07 (180deg=-4.92!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 150:sc= -0.503 USER MOD Single : A 26 ASN : amide:sc= -1.69 K(o=-1.7,f=-6.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 176:sc= 0 (180deg=-0.00503) USER MOD Single : A 34 GLN : amide:sc= -7.18! C(o=-7.2!,f=-6!) USER MOD Single : A 37 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 138:sc= -0.932 USER MOD Single : A 47 SER OG : rot 23:sc= -0.572 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.66!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -5.52! C(o=-5.5!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0242 (180deg=-0.396) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.9) USER MOD Single : A 72 THR OG1 : rot 128:sc= -1.38! USER MOD Single : A 73 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.5!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= -0.153 (180deg=-1.14) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 80 ASN : amide:sc= -6.48! C(o=-6.5!,f=-13!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0315 K(o=-0.032,f=-1.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 58:sc= 0.357 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 52.957 0.495 -12.569 1.00 0.00 N ATOM 2 CA GLY A 1 51.550 1.080 -12.698 1.00 0.00 C ATOM 3 C GLY A 1 50.775 1.413 -11.468 1.00 0.00 C ATOM 4 O GLY A 1 49.689 1.956 -11.533 1.00 0.00 O ATOM 0 H1 GLY A 1 53.350 0.324 -13.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 53.566 1.165 -12.058 1.00 0.00 H new ATOM 0 H3 GLY A 1 52.913 -0.402 -12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 51.629 1.991 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 50.955 0.374 -13.277 1.00 0.00 H new ATOM 10 N GLY A 2 51.305 1.101 -10.317 1.00 0.00 N ATOM 11 CA GLY A 2 50.577 1.410 -9.054 1.00 0.00 C ATOM 12 C GLY A 2 49.351 0.502 -8.939 1.00 0.00 C ATOM 13 O GLY A 2 49.465 -0.706 -8.894 1.00 0.00 O ATOM 0 H GLY A 2 52.210 0.646 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 2 51.234 1.262 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 2 50.271 2.456 -9.044 1.00 0.00 H new ATOM 17 N SER A 3 48.181 1.076 -8.888 1.00 0.00 N ATOM 18 CA SER A 3 46.942 0.252 -8.775 1.00 0.00 C ATOM 19 C SER A 3 47.092 -0.766 -7.641 1.00 0.00 C ATOM 20 O SER A 3 46.827 -1.939 -7.808 1.00 0.00 O ATOM 21 CB SER A 3 46.682 -0.480 -10.094 1.00 0.00 C ATOM 22 OG SER A 3 47.770 -1.348 -10.380 1.00 0.00 O ATOM 0 H SER A 3 48.028 2.084 -8.920 1.00 0.00 H new ATOM 0 HA SER A 3 46.100 0.908 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 3 45.756 -1.051 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 46.556 0.240 -10.902 1.00 0.00 H new ATOM 0 HG SER A 3 48.351 -1.415 -9.593 1.00 0.00 H new ATOM 28 N GLY A 4 47.503 -0.323 -6.483 1.00 0.00 N ATOM 29 CA GLY A 4 47.658 -1.261 -5.328 1.00 0.00 C ATOM 30 C GLY A 4 49.103 -1.754 -5.227 1.00 0.00 C ATOM 31 O GLY A 4 49.360 -2.856 -4.783 1.00 0.00 O ATOM 0 H GLY A 4 47.739 0.649 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.374 -0.759 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 46.986 -2.110 -5.449 1.00 0.00 H new ATOM 35 N TRP A 5 50.054 -0.952 -5.619 1.00 0.00 N ATOM 36 CA TRP A 5 51.475 -1.393 -5.518 1.00 0.00 C ATOM 37 C TRP A 5 51.852 -1.545 -4.056 1.00 0.00 C ATOM 38 O TRP A 5 51.455 -0.770 -3.208 1.00 0.00 O ATOM 39 CB TRP A 5 52.408 -0.366 -6.193 1.00 0.00 C ATOM 40 CG TRP A 5 53.797 -0.470 -5.615 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.736 -1.382 -5.968 1.00 0.00 C ATOM 42 CD2 TRP A 5 54.394 0.333 -4.555 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.878 -1.163 -5.218 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.715 -0.120 -4.331 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.923 1.409 -3.783 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.538 0.471 -3.373 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.748 2.005 -2.815 1.00 0.00 C ATOM 48 CH2 TRP A 5 56.053 1.538 -2.612 1.00 0.00 C ATOM 0 H TRP A 5 49.912 -0.017 -6.002 1.00 0.00 H new ATOM 0 HA TRP A 5 51.586 -2.350 -6.027 1.00 0.00 H new ATOM 0 HB2 TRP A 5 52.439 -0.543 -7.268 1.00 0.00 H new ATOM 0 HB3 TRP A 5 52.019 0.642 -6.047 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.613 -2.154 -6.713 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.736 -1.707 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.920 1.780 -3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.543 0.107 -3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 54.374 2.828 -2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.684 2.002 -1.868 1.00 0.00 H new ATOM 59 N ASN A 6 52.654 -2.533 -3.771 1.00 0.00 N ATOM 60 CA ASN A 6 53.123 -2.752 -2.383 1.00 0.00 C ATOM 61 C ASN A 6 54.640 -2.950 -2.403 1.00 0.00 C ATOM 62 O ASN A 6 55.160 -3.783 -3.118 1.00 0.00 O ATOM 63 CB ASN A 6 52.438 -3.987 -1.788 1.00 0.00 C ATOM 64 CG ASN A 6 52.671 -5.204 -2.688 1.00 0.00 C ATOM 65 OD1 ASN A 6 52.324 -6.312 -2.329 1.00 0.00 O ATOM 66 ND2 ASN A 6 53.252 -5.047 -3.845 1.00 0.00 N ATOM 0 H ASN A 6 53.006 -3.204 -4.453 1.00 0.00 H new ATOM 0 HA ASN A 6 52.873 -1.888 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 6 52.829 -4.183 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 6 51.369 -3.803 -1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 6 53.415 -5.854 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 6 53.544 -4.117 -4.147 1.00 0.00 H new ATOM 73 N ALA A 7 55.358 -2.196 -1.621 1.00 0.00 N ATOM 74 CA ALA A 7 56.838 -2.354 -1.597 1.00 0.00 C ATOM 75 C ALA A 7 57.166 -3.776 -1.139 1.00 0.00 C ATOM 76 O ALA A 7 58.311 -4.172 -1.056 1.00 0.00 O ATOM 77 CB ALA A 7 57.444 -1.343 -0.619 1.00 0.00 C ATOM 0 H ALA A 7 54.986 -1.479 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 7 57.252 -2.178 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.528 -1.459 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 7 57.192 -0.332 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 7 57.044 -1.518 0.380 1.00 0.00 H new ATOM 83 N ASP A 8 56.154 -4.537 -0.828 1.00 0.00 N ATOM 84 CA ASP A 8 56.368 -5.936 -0.353 1.00 0.00 C ATOM 85 C ASP A 8 56.874 -6.825 -1.493 1.00 0.00 C ATOM 86 O ASP A 8 57.710 -7.685 -1.294 1.00 0.00 O ATOM 87 CB ASP A 8 55.043 -6.496 0.168 1.00 0.00 C ATOM 88 CG ASP A 8 55.277 -7.881 0.774 1.00 0.00 C ATOM 89 OD1 ASP A 8 56.370 -8.399 0.615 1.00 0.00 O ATOM 90 OD2 ASP A 8 54.355 -8.403 1.379 1.00 0.00 O ATOM 0 H ASP A 8 55.177 -4.248 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 8 57.115 -5.926 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.622 -5.826 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 8 54.319 -6.560 -0.644 1.00 0.00 H new ATOM 95 N ASN A 9 56.353 -6.654 -2.680 1.00 0.00 N ATOM 96 CA ASN A 9 56.784 -7.521 -3.820 1.00 0.00 C ATOM 97 C ASN A 9 58.056 -6.967 -4.459 1.00 0.00 C ATOM 98 O ASN A 9 58.538 -7.492 -5.444 1.00 0.00 O ATOM 99 CB ASN A 9 55.673 -7.570 -4.870 1.00 0.00 C ATOM 100 CG ASN A 9 54.425 -8.216 -4.267 1.00 0.00 C ATOM 101 OD1 ASN A 9 53.358 -7.634 -4.280 1.00 0.00 O ATOM 102 ND2 ASN A 9 54.515 -9.402 -3.732 1.00 0.00 N ATOM 0 H ASN A 9 55.649 -5.953 -2.910 1.00 0.00 H new ATOM 0 HA ASN A 9 56.984 -8.524 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.442 -6.563 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 9 56.005 -8.138 -5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 9 53.690 -9.842 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 9 55.411 -9.890 -3.721 1.00 0.00 H new ATOM 109 N VAL A 10 58.607 -5.915 -3.910 1.00 0.00 N ATOM 110 CA VAL A 10 59.855 -5.320 -4.483 1.00 0.00 C ATOM 111 C VAL A 10 60.985 -5.443 -3.459 1.00 0.00 C ATOM 112 O VAL A 10 60.830 -5.078 -2.310 1.00 0.00 O ATOM 113 CB VAL A 10 59.618 -3.841 -4.776 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.817 -3.272 -5.533 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.361 -3.675 -5.625 1.00 0.00 C ATOM 0 H VAL A 10 58.245 -5.439 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 10 60.122 -5.844 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 10 59.491 -3.307 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.647 -2.216 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.716 -3.382 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.944 -3.812 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.198 -2.617 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.483 -4.213 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.503 -4.077 -5.087 1.00 0.00 H new ATOM 125 N ASP A 11 62.122 -5.950 -3.857 1.00 0.00 N ATOM 126 CA ASP A 11 63.253 -6.087 -2.891 1.00 0.00 C ATOM 127 C ASP A 11 64.025 -4.757 -2.823 1.00 0.00 C ATOM 128 O ASP A 11 64.267 -4.137 -3.840 1.00 0.00 O ATOM 129 CB ASP A 11 64.206 -7.186 -3.369 1.00 0.00 C ATOM 130 CG ASP A 11 63.494 -8.536 -3.324 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.784 -8.777 -2.361 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.672 -9.307 -4.251 1.00 0.00 O ATOM 0 H ASP A 11 62.317 -6.274 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 11 62.859 -6.343 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.542 -6.974 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.094 -7.211 -2.738 1.00 0.00 H new ATOM 137 N PRO A 12 64.426 -4.315 -1.651 1.00 0.00 N ATOM 138 CA PRO A 12 65.193 -3.041 -1.507 1.00 0.00 C ATOM 139 C PRO A 12 66.661 -3.213 -1.922 1.00 0.00 C ATOM 140 O PRO A 12 67.328 -2.269 -2.300 1.00 0.00 O ATOM 141 CB PRO A 12 65.081 -2.733 -0.008 1.00 0.00 C ATOM 142 CG PRO A 12 64.978 -4.074 0.642 1.00 0.00 C ATOM 143 CD PRO A 12 64.203 -4.960 -0.339 1.00 0.00 C ATOM 0 HA PRO A 12 64.807 -2.244 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 12 65.952 -2.184 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.206 -2.119 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 12 65.966 -4.487 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.460 -4.005 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.573 -5.985 -0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.143 -5.001 -0.089 1.00 0.00 H new ATOM 151 N SER A 13 67.166 -4.415 -1.850 1.00 0.00 N ATOM 152 CA SER A 13 68.588 -4.661 -2.233 1.00 0.00 C ATOM 153 C SER A 13 68.825 -4.278 -3.698 1.00 0.00 C ATOM 154 O SER A 13 69.852 -3.729 -4.044 1.00 0.00 O ATOM 155 CB SER A 13 68.912 -6.144 -2.044 1.00 0.00 C ATOM 156 OG SER A 13 68.938 -6.446 -0.655 1.00 0.00 O ATOM 0 H SER A 13 66.653 -5.241 -1.541 1.00 0.00 H new ATOM 0 HA SER A 13 69.232 -4.051 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.165 -6.758 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 13 69.875 -6.378 -2.497 1.00 0.00 H new ATOM 0 HG SER A 13 68.848 -5.618 -0.138 1.00 0.00 H new ATOM 162 N GLN A 14 67.893 -4.576 -4.563 1.00 0.00 N ATOM 163 CA GLN A 14 68.081 -4.246 -6.007 1.00 0.00 C ATOM 164 C GLN A 14 67.823 -2.757 -6.249 1.00 0.00 C ATOM 165 O GLN A 14 68.249 -2.200 -7.241 1.00 0.00 O ATOM 166 CB GLN A 14 67.110 -5.078 -6.849 1.00 0.00 C ATOM 167 CG GLN A 14 67.540 -6.545 -6.822 1.00 0.00 C ATOM 168 CD GLN A 14 66.526 -7.393 -7.591 1.00 0.00 C ATOM 169 OE1 GLN A 14 65.412 -6.966 -7.828 1.00 0.00 O ATOM 170 NE2 GLN A 14 66.867 -8.585 -7.996 1.00 0.00 N ATOM 0 H GLN A 14 67.010 -5.033 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 14 69.107 -4.476 -6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.097 -4.978 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 14 67.095 -4.711 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 14 68.530 -6.652 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.613 -6.894 -5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 14 67.801 -8.943 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 14 66.200 -9.159 -8.511 1.00 0.00 H new ATOM 179 N CYS A 15 67.129 -2.104 -5.357 1.00 0.00 N ATOM 180 CA CYS A 15 66.849 -0.653 -5.551 1.00 0.00 C ATOM 181 C CYS A 15 68.159 0.138 -5.489 1.00 0.00 C ATOM 182 O CYS A 15 68.292 1.175 -6.109 1.00 0.00 O ATOM 183 CB CYS A 15 65.892 -0.161 -4.461 1.00 0.00 C ATOM 184 SG CYS A 15 64.211 -0.713 -4.845 1.00 0.00 S ATOM 0 H CYS A 15 66.745 -2.511 -4.504 1.00 0.00 H new ATOM 0 HA CYS A 15 66.386 -0.503 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 15 66.200 -0.547 -3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.924 0.927 -4.397 1.00 0.00 H new ATOM 0 HG CYS A 15 63.915 -0.384 -6.067 1.00 0.00 H new ATOM 189 N ILE A 16 69.126 -0.342 -4.743 1.00 0.00 N ATOM 190 CA ILE A 16 70.439 0.378 -4.631 1.00 0.00 C ATOM 191 C ILE A 16 71.554 -0.522 -5.159 1.00 0.00 C ATOM 192 O ILE A 16 71.568 -1.713 -4.920 1.00 0.00 O ATOM 193 CB ILE A 16 70.714 0.713 -3.156 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.828 -0.595 -2.316 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.569 1.585 -2.623 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.301 -0.929 -2.041 1.00 0.00 C ATOM 0 H ILE A 16 69.064 -1.206 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 16 70.402 1.298 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 16 71.657 1.254 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.293 -0.477 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.355 -1.420 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.754 1.829 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.511 2.505 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.628 1.042 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.363 -1.845 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.825 -1.068 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.762 -0.111 -1.487 1.00 0.00 H new ATOM 208 N LYS A 17 72.489 0.044 -5.880 1.00 0.00 N ATOM 209 CA LYS A 17 73.620 -0.759 -6.446 1.00 0.00 C ATOM 210 C LYS A 17 74.944 -0.148 -5.984 1.00 0.00 C ATOM 211 O LYS A 17 75.073 1.053 -5.854 1.00 0.00 O ATOM 212 CB LYS A 17 73.539 -0.723 -7.972 1.00 0.00 C ATOM 213 CG LYS A 17 72.308 -1.508 -8.430 1.00 0.00 C ATOM 214 CD LYS A 17 72.023 -1.214 -9.908 1.00 0.00 C ATOM 215 CE LYS A 17 73.135 -1.794 -10.786 1.00 0.00 C ATOM 216 NZ LYS A 17 74.317 -0.885 -10.756 1.00 0.00 N ATOM 0 H LYS A 17 72.519 1.039 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 17 73.558 -1.792 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.478 0.308 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.442 -1.153 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.473 -2.576 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.445 -1.235 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.063 -1.644 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 17 71.950 -0.138 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 17 73.416 -2.785 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 17 72.780 -1.913 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 74.670 -0.743 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 74.040 0.032 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.066 -1.309 -10.173 1.00 0.00 H new ATOM 230 N GLN A 18 75.930 -0.967 -5.727 1.00 0.00 N ATOM 231 CA GLN A 18 77.249 -0.439 -5.259 1.00 0.00 C ATOM 232 C GLN A 18 78.204 -0.311 -6.448 1.00 0.00 C ATOM 233 O GLN A 18 78.465 -1.268 -7.150 1.00 0.00 O ATOM 234 CB GLN A 18 77.845 -1.413 -4.241 1.00 0.00 C ATOM 235 CG GLN A 18 79.091 -0.794 -3.609 1.00 0.00 C ATOM 236 CD GLN A 18 79.649 -1.746 -2.549 1.00 0.00 C ATOM 237 OE1 GLN A 18 79.426 -2.939 -2.611 1.00 0.00 O ATOM 238 NE2 GLN A 18 80.367 -1.266 -1.571 1.00 0.00 N ATOM 0 H GLN A 18 75.880 -1.981 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 18 77.107 0.540 -4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.110 -1.644 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.101 -2.353 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.843 -0.602 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.844 0.167 -3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 18 80.554 -0.265 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.741 -1.892 -0.858 1.00 0.00 H new ATOM 247 N SER A 19 78.743 0.864 -6.666 1.00 0.00 N ATOM 248 CA SER A 19 79.703 1.069 -7.798 1.00 0.00 C ATOM 249 C SER A 19 81.102 1.277 -7.220 1.00 0.00 C ATOM 250 O SER A 19 81.302 2.082 -6.332 1.00 0.00 O ATOM 251 CB SER A 19 79.300 2.310 -8.598 1.00 0.00 C ATOM 252 OG SER A 19 78.029 2.095 -9.197 1.00 0.00 O ATOM 0 H SER A 19 78.558 1.696 -6.105 1.00 0.00 H new ATOM 0 HA SER A 19 79.691 0.199 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 19 79.263 3.181 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 19 80.045 2.519 -9.366 1.00 0.00 H new ATOM 0 HG SER A 19 77.770 2.890 -9.708 1.00 0.00 H new ATOM 258 N GLY A 20 82.073 0.560 -7.712 1.00 0.00 N ATOM 259 CA GLY A 20 83.458 0.721 -7.184 1.00 0.00 C ATOM 260 C GLY A 20 83.437 0.706 -5.653 1.00 0.00 C ATOM 261 O GLY A 20 83.486 -0.339 -5.034 1.00 0.00 O ATOM 0 H GLY A 20 81.969 -0.130 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 20 84.094 -0.083 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.886 1.657 -7.541 1.00 0.00 H new ATOM 265 N VAL A 21 83.373 1.861 -5.039 1.00 0.00 N ATOM 266 CA VAL A 21 83.362 1.936 -3.544 1.00 0.00 C ATOM 267 C VAL A 21 82.319 2.969 -3.095 1.00 0.00 C ATOM 268 O VAL A 21 82.450 3.594 -2.062 1.00 0.00 O ATOM 269 CB VAL A 21 84.757 2.362 -3.061 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.937 1.998 -1.585 1.00 0.00 C ATOM 271 CG2 VAL A 21 85.823 1.647 -3.902 1.00 0.00 C ATOM 0 H VAL A 21 83.327 2.763 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 21 83.107 0.964 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 21 84.862 3.441 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.929 2.304 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.181 2.510 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 84.829 0.921 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 21 86.815 1.946 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 21 85.711 0.568 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 21 85.701 1.918 -4.951 1.00 0.00 H new ATOM 281 N GLN A 22 81.288 3.152 -3.881 1.00 0.00 N ATOM 282 CA GLN A 22 80.218 4.145 -3.538 1.00 0.00 C ATOM 283 C GLN A 22 78.835 3.508 -3.682 1.00 0.00 C ATOM 284 O GLN A 22 78.674 2.488 -4.323 1.00 0.00 O ATOM 285 CB GLN A 22 80.325 5.344 -4.480 1.00 0.00 C ATOM 286 CG GLN A 22 81.535 6.184 -4.080 1.00 0.00 C ATOM 287 CD GLN A 22 81.699 7.350 -5.054 1.00 0.00 C ATOM 288 OE1 GLN A 22 82.439 8.276 -4.793 1.00 0.00 O ATOM 289 NE2 GLN A 22 81.041 7.340 -6.181 1.00 0.00 N ATOM 0 H GLN A 22 81.138 2.651 -4.757 1.00 0.00 H new ATOM 0 HA GLN A 22 80.351 4.468 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.426 5.005 -5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.417 5.944 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 22 81.408 6.561 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.434 5.568 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 22 80.419 6.562 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 22 81.149 8.110 -6.841 1.00 0.00 H new ATOM 298 N TYR A 23 77.833 4.126 -3.101 1.00 0.00 N ATOM 299 CA TYR A 23 76.430 3.598 -3.205 1.00 0.00 C ATOM 300 C TYR A 23 75.559 4.644 -3.898 1.00 0.00 C ATOM 301 O TYR A 23 75.686 5.827 -3.652 1.00 0.00 O ATOM 302 CB TYR A 23 75.847 3.347 -1.809 1.00 0.00 C ATOM 303 CG TYR A 23 76.515 2.159 -1.158 1.00 0.00 C ATOM 304 CD1 TYR A 23 76.153 0.862 -1.539 1.00 0.00 C ATOM 305 CD2 TYR A 23 77.479 2.353 -0.161 1.00 0.00 C ATOM 306 CE1 TYR A 23 76.758 -0.242 -0.927 1.00 0.00 C ATOM 307 CE2 TYR A 23 78.085 1.248 0.451 1.00 0.00 C ATOM 308 CZ TYR A 23 77.724 -0.049 0.069 1.00 0.00 C ATOM 309 OH TYR A 23 78.320 -1.135 0.675 1.00 0.00 O ATOM 0 H TYR A 23 77.926 4.982 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 23 76.448 2.665 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.983 4.232 -1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.774 3.172 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 23 75.407 0.713 -2.305 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.755 3.354 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 23 76.480 -1.243 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 23 78.831 1.397 1.218 1.00 0.00 H new ATOM 0 HH TYR A 23 78.967 -0.823 1.342 1.00 0.00 H new ATOM 319 N THR A 24 74.672 4.221 -4.764 1.00 0.00 N ATOM 320 CA THR A 24 73.786 5.194 -5.475 1.00 0.00 C ATOM 321 C THR A 24 72.370 4.622 -5.576 1.00 0.00 C ATOM 322 O THR A 24 72.159 3.427 -5.500 1.00 0.00 O ATOM 323 CB THR A 24 74.344 5.457 -6.875 1.00 0.00 C ATOM 324 OG1 THR A 24 74.441 4.232 -7.584 1.00 0.00 O ATOM 325 CG2 THR A 24 75.730 6.096 -6.755 1.00 0.00 C ATOM 0 H THR A 24 74.523 3.242 -5.010 1.00 0.00 H new ATOM 0 HA THR A 24 73.751 6.131 -4.919 1.00 0.00 H new ATOM 0 HB THR A 24 73.679 6.132 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.797 4.401 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 24 76.131 6.285 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.651 7.037 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.396 5.421 -6.218 1.00 0.00 H new ATOM 333 N TYR A 25 71.398 5.478 -5.733 1.00 0.00 N ATOM 334 CA TYR A 25 69.981 5.019 -5.825 1.00 0.00 C ATOM 335 C TYR A 25 69.638 4.741 -7.293 1.00 0.00 C ATOM 336 O TYR A 25 69.748 5.606 -8.140 1.00 0.00 O ATOM 337 CB TYR A 25 69.089 6.135 -5.275 1.00 0.00 C ATOM 338 CG TYR A 25 67.681 5.637 -5.059 1.00 0.00 C ATOM 339 CD1 TYR A 25 67.338 5.043 -3.841 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.716 5.794 -6.060 1.00 0.00 C ATOM 341 CE1 TYR A 25 66.030 4.604 -3.621 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.406 5.350 -5.842 1.00 0.00 C ATOM 343 CZ TYR A 25 65.064 4.758 -4.620 1.00 0.00 C ATOM 344 OH TYR A 25 63.772 4.327 -4.398 1.00 0.00 O ATOM 0 H TYR A 25 71.526 6.488 -5.802 1.00 0.00 H new ATOM 0 HA TYR A 25 69.828 4.105 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.498 6.503 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 25 69.080 6.975 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 25 68.084 4.923 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 25 66.981 6.257 -6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 25 65.765 4.146 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.661 5.464 -6.615 1.00 0.00 H new ATOM 0 HH TYR A 25 63.149 4.886 -4.908 1.00 0.00 H new ATOM 354 N ASN A 26 69.233 3.536 -7.605 1.00 0.00 N ATOM 355 CA ASN A 26 68.897 3.197 -9.019 1.00 0.00 C ATOM 356 C ASN A 26 67.470 3.649 -9.344 1.00 0.00 C ATOM 357 O ASN A 26 66.528 2.887 -9.245 1.00 0.00 O ATOM 358 CB ASN A 26 69.001 1.682 -9.218 1.00 0.00 C ATOM 359 CG ASN A 26 68.911 1.355 -10.709 1.00 0.00 C ATOM 360 OD1 ASN A 26 68.454 2.161 -11.495 1.00 0.00 O ATOM 361 ND2 ASN A 26 69.335 0.197 -11.137 1.00 0.00 N ATOM 0 H ASN A 26 69.121 2.771 -6.939 1.00 0.00 H new ATOM 0 HA ASN A 26 69.596 3.708 -9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.943 1.315 -8.811 1.00 0.00 H new ATOM 0 HB3 ASN A 26 68.201 1.178 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 26 69.282 -0.030 -12.130 1.00 0.00 H new ATOM 0 HD22 ASN A 26 69.719 -0.481 -10.478 1.00 0.00 H new ATOM 368 N SER A 27 67.305 4.881 -9.740 1.00 0.00 N ATOM 369 CA SER A 27 65.942 5.379 -10.085 1.00 0.00 C ATOM 370 C SER A 27 65.590 4.949 -11.512 1.00 0.00 C ATOM 371 O SER A 27 64.482 5.140 -11.973 1.00 0.00 O ATOM 372 CB SER A 27 65.918 6.904 -9.992 1.00 0.00 C ATOM 373 OG SER A 27 66.764 7.447 -10.996 1.00 0.00 O ATOM 0 H SER A 27 68.055 5.565 -9.840 1.00 0.00 H new ATOM 0 HA SER A 27 65.215 4.962 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.900 7.272 -10.119 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.252 7.225 -9.005 1.00 0.00 H new ATOM 0 HG SER A 27 66.750 8.425 -10.941 1.00 0.00 H new ATOM 379 N GLY A 28 66.529 4.380 -12.217 1.00 0.00 N ATOM 380 CA GLY A 28 66.257 3.949 -13.616 1.00 0.00 C ATOM 381 C GLY A 28 64.994 3.086 -13.666 1.00 0.00 C ATOM 382 O GLY A 28 64.503 2.758 -14.727 1.00 0.00 O ATOM 0 H GLY A 28 67.475 4.195 -11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 28 66.135 4.823 -14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 28 67.107 3.386 -14.003 1.00 0.00 H new ATOM 386 N VAL A 29 64.459 2.723 -12.523 1.00 0.00 N ATOM 387 CA VAL A 29 63.215 1.886 -12.488 1.00 0.00 C ATOM 388 C VAL A 29 62.072 2.717 -11.901 1.00 0.00 C ATOM 389 O VAL A 29 62.223 3.379 -10.894 1.00 0.00 O ATOM 390 CB VAL A 29 63.459 0.647 -11.626 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.663 -0.121 -12.174 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.735 1.072 -10.185 1.00 0.00 C ATOM 0 H VAL A 29 64.833 2.972 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 29 62.951 1.569 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 29 62.577 0.007 -11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.840 -1.005 -11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.464 -0.425 -13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.545 0.519 -12.150 1.00 0.00 H new ATOM 0 HG21 VAL A 29 63.909 0.188 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.617 1.712 -10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.877 1.620 -9.797 1.00 0.00 H new ATOM 402 N SER A 30 60.937 2.704 -12.542 1.00 0.00 N ATOM 403 CA SER A 30 59.777 3.508 -12.053 1.00 0.00 C ATOM 404 C SER A 30 59.212 2.927 -10.752 1.00 0.00 C ATOM 405 O SER A 30 58.668 3.642 -9.935 1.00 0.00 O ATOM 406 CB SER A 30 58.683 3.513 -13.124 1.00 0.00 C ATOM 407 OG SER A 30 59.149 4.213 -14.270 1.00 0.00 O ATOM 0 H SER A 30 60.760 2.167 -13.391 1.00 0.00 H new ATOM 0 HA SER A 30 60.118 4.524 -11.855 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.416 2.491 -13.392 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.781 3.987 -12.736 1.00 0.00 H new ATOM 0 HG SER A 30 58.451 4.216 -14.958 1.00 0.00 H new ATOM 413 N VAL A 31 59.310 1.641 -10.551 1.00 0.00 N ATOM 414 CA VAL A 31 58.739 1.044 -9.306 1.00 0.00 C ATOM 415 C VAL A 31 59.404 1.650 -8.063 1.00 0.00 C ATOM 416 O VAL A 31 58.749 1.916 -7.076 1.00 0.00 O ATOM 417 CB VAL A 31 58.973 -0.470 -9.307 1.00 0.00 C ATOM 418 CG1 VAL A 31 58.391 -1.080 -10.583 1.00 0.00 C ATOM 419 CG2 VAL A 31 60.475 -0.762 -9.238 1.00 0.00 C ATOM 0 H VAL A 31 59.756 0.981 -11.188 1.00 0.00 H new ATOM 0 HA VAL A 31 57.671 1.258 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 31 58.481 -0.909 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.559 -2.157 -10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 31 57.320 -0.880 -10.626 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.878 -0.639 -11.452 1.00 0.00 H new ATOM 0 HG21 VAL A 31 60.637 -1.840 -9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 31 60.972 -0.320 -10.102 1.00 0.00 H new ATOM 0 HG23 VAL A 31 60.887 -0.334 -8.324 1.00 0.00 H new ATOM 429 N CYS A 32 60.690 1.866 -8.090 1.00 0.00 N ATOM 430 CA CYS A 32 61.360 2.448 -6.889 1.00 0.00 C ATOM 431 C CYS A 32 60.865 3.875 -6.654 1.00 0.00 C ATOM 432 O CYS A 32 60.637 4.288 -5.530 1.00 0.00 O ATOM 433 CB CYS A 32 62.874 2.471 -7.098 1.00 0.00 C ATOM 434 SG CYS A 32 63.506 0.775 -7.089 1.00 0.00 S ATOM 0 H CYS A 32 61.302 1.668 -8.882 1.00 0.00 H new ATOM 0 HA CYS A 32 61.120 1.833 -6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.115 2.956 -8.044 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.352 3.054 -6.311 1.00 0.00 H new ATOM 0 HG CYS A 32 64.004 0.504 -5.919 1.00 0.00 H new ATOM 439 N MET A 33 60.687 4.638 -7.697 1.00 0.00 N ATOM 440 CA MET A 33 60.204 6.033 -7.505 1.00 0.00 C ATOM 441 C MET A 33 58.681 6.030 -7.402 1.00 0.00 C ATOM 442 O MET A 33 58.076 7.010 -7.015 1.00 0.00 O ATOM 443 CB MET A 33 60.640 6.912 -8.683 1.00 0.00 C ATOM 444 CG MET A 33 62.169 7.056 -8.694 1.00 0.00 C ATOM 445 SD MET A 33 62.623 8.559 -9.594 1.00 0.00 S ATOM 446 CE MET A 33 62.447 9.714 -8.208 1.00 0.00 C ATOM 0 H MET A 33 60.853 4.359 -8.664 1.00 0.00 H new ATOM 0 HA MET A 33 60.634 6.437 -6.588 1.00 0.00 H new ATOM 0 HB2 MET A 33 60.301 6.472 -9.621 1.00 0.00 H new ATOM 0 HB3 MET A 33 60.175 7.895 -8.606 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.549 7.101 -7.673 1.00 0.00 H new ATOM 0 HG3 MET A 33 62.624 6.185 -9.165 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.752 10.711 -8.525 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.406 9.738 -7.885 1.00 0.00 H new ATOM 0 HE3 MET A 33 63.077 9.388 -7.380 1.00 0.00 H new ATOM 456 N GLN A 34 58.054 4.934 -7.725 1.00 0.00 N ATOM 457 CA GLN A 34 56.574 4.881 -7.613 1.00 0.00 C ATOM 458 C GLN A 34 56.203 5.100 -6.149 1.00 0.00 C ATOM 459 O GLN A 34 55.285 5.824 -5.828 1.00 0.00 O ATOM 460 CB GLN A 34 56.069 3.514 -8.083 1.00 0.00 C ATOM 461 CG GLN A 34 54.546 3.544 -8.248 1.00 0.00 C ATOM 462 CD GLN A 34 53.880 3.551 -6.871 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.244 2.781 -6.005 1.00 0.00 O ATOM 464 NE2 GLN A 34 52.912 4.393 -6.631 1.00 0.00 N ATOM 0 H GLN A 34 58.500 4.080 -8.059 1.00 0.00 H new ATOM 0 HA GLN A 34 56.117 5.651 -8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.540 3.249 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.349 2.746 -7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.249 4.429 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.215 2.676 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.606 5.040 -7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.461 4.404 -5.716 1.00 0.00 H new ATOM 473 N GLY A 35 56.934 4.485 -5.256 1.00 0.00 N ATOM 474 CA GLY A 35 56.652 4.659 -3.806 1.00 0.00 C ATOM 475 C GLY A 35 57.161 6.027 -3.355 1.00 0.00 C ATOM 476 O GLY A 35 56.506 6.731 -2.612 1.00 0.00 O ATOM 0 H GLY A 35 57.717 3.868 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.581 4.577 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.137 3.870 -3.232 1.00 0.00 H new ATOM 480 N LEU A 36 58.332 6.410 -3.797 1.00 0.00 N ATOM 481 CA LEU A 36 58.879 7.736 -3.390 1.00 0.00 C ATOM 482 C LEU A 36 57.921 8.834 -3.858 1.00 0.00 C ATOM 483 O LEU A 36 57.659 9.790 -3.154 1.00 0.00 O ATOM 484 CB LEU A 36 60.250 7.953 -4.043 1.00 0.00 C ATOM 485 CG LEU A 36 60.942 9.192 -3.442 1.00 0.00 C ATOM 486 CD1 LEU A 36 61.635 8.832 -2.123 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.994 9.721 -4.423 1.00 0.00 C ATOM 0 H LEU A 36 58.929 5.864 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 36 58.986 7.769 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.874 7.072 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.131 8.081 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 36 60.185 9.954 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.119 9.718 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.896 8.460 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.384 8.061 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.482 10.597 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.738 8.947 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 36 61.511 9.996 -5.361 1.00 0.00 H new ATOM 499 N ASN A 37 57.398 8.704 -5.050 1.00 0.00 N ATOM 500 CA ASN A 37 56.458 9.737 -5.576 1.00 0.00 C ATOM 501 C ASN A 37 55.209 9.799 -4.694 1.00 0.00 C ATOM 502 O ASN A 37 54.695 10.859 -4.401 1.00 0.00 O ATOM 503 CB ASN A 37 56.052 9.371 -7.004 1.00 0.00 C ATOM 504 CG ASN A 37 55.188 10.490 -7.586 1.00 0.00 C ATOM 505 OD1 ASN A 37 55.086 11.555 -7.010 1.00 0.00 O ATOM 506 ND2 ASN A 37 54.557 10.297 -8.713 1.00 0.00 N ATOM 0 H ASN A 37 57.582 7.925 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 37 56.951 10.709 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 37 56.939 9.223 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.501 8.431 -7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 37 53.980 11.040 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 37 54.641 9.404 -9.198 1.00 0.00 H new ATOM 513 N GLU A 38 54.718 8.666 -4.270 1.00 0.00 N ATOM 514 CA GLU A 38 53.503 8.650 -3.409 1.00 0.00 C ATOM 515 C GLU A 38 53.792 9.365 -2.089 1.00 0.00 C ATOM 516 O GLU A 38 52.905 9.917 -1.469 1.00 0.00 O ATOM 517 CB GLU A 38 53.084 7.201 -3.136 1.00 0.00 C ATOM 518 CG GLU A 38 52.533 6.575 -4.418 1.00 0.00 C ATOM 519 CD GLU A 38 51.184 7.213 -4.756 1.00 0.00 C ATOM 520 OE1 GLU A 38 50.617 7.851 -3.884 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.741 7.053 -5.881 1.00 0.00 O ATOM 0 H GLU A 38 55.108 7.748 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 38 52.692 9.167 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.938 6.627 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.328 7.172 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 38 53.234 6.724 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.417 5.499 -4.290 1.00 0.00 H new ATOM 528 N GLY A 39 55.019 9.362 -1.648 1.00 0.00 N ATOM 529 CA GLY A 39 55.350 10.045 -0.362 1.00 0.00 C ATOM 530 C GLY A 39 55.146 9.069 0.796 1.00 0.00 C ATOM 531 O GLY A 39 55.062 9.459 1.943 1.00 0.00 O ATOM 0 H GLY A 39 55.807 8.918 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.382 10.397 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.717 10.922 -0.229 1.00 0.00 H new ATOM 535 N LYS A 40 55.095 7.794 0.504 1.00 0.00 N ATOM 536 CA LYS A 40 54.929 6.775 1.578 1.00 0.00 C ATOM 537 C LYS A 40 56.304 6.190 1.841 1.00 0.00 C ATOM 538 O LYS A 40 56.500 5.345 2.691 1.00 0.00 O ATOM 539 CB LYS A 40 53.972 5.676 1.104 1.00 0.00 C ATOM 540 CG LYS A 40 52.609 6.295 0.776 1.00 0.00 C ATOM 541 CD LYS A 40 51.646 5.206 0.297 1.00 0.00 C ATOM 542 CE LYS A 40 50.289 5.835 -0.021 1.00 0.00 C ATOM 543 NZ LYS A 40 49.289 4.761 -0.276 1.00 0.00 N ATOM 0 H LYS A 40 55.162 7.415 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 40 54.514 7.217 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.379 5.179 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 40 53.862 4.916 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.203 6.790 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.722 7.058 0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.048 4.713 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 40 51.534 4.440 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 40 49.963 6.460 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 40 50.372 6.483 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 48.367 5.190 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 49.599 4.182 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 49.202 4.160 0.568 1.00 0.00 H new ATOM 557 N VAL A 41 57.261 6.660 1.088 1.00 0.00 N ATOM 558 CA VAL A 41 58.663 6.186 1.222 1.00 0.00 C ATOM 559 C VAL A 41 59.584 7.395 1.273 1.00 0.00 C ATOM 560 O VAL A 41 59.248 8.467 0.809 1.00 0.00 O ATOM 561 CB VAL A 41 59.021 5.345 0.002 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.480 4.908 0.062 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.101 4.119 -0.069 1.00 0.00 C ATOM 0 H VAL A 41 57.123 7.370 0.369 1.00 0.00 H new ATOM 0 HA VAL A 41 58.772 5.591 2.129 1.00 0.00 H new ATOM 0 HB VAL A 41 58.882 5.949 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.717 4.309 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.123 5.788 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.645 4.314 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.360 3.520 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.225 3.519 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.064 4.446 -0.148 1.00 0.00 H new ATOM 573 N ARG A 42 60.747 7.220 1.819 1.00 0.00 N ATOM 574 CA ARG A 42 61.739 8.337 1.905 1.00 0.00 C ATOM 575 C ARG A 42 62.989 7.912 1.151 1.00 0.00 C ATOM 576 O ARG A 42 63.907 8.681 0.953 1.00 0.00 O ATOM 577 CB ARG A 42 62.093 8.602 3.370 1.00 0.00 C ATOM 578 CG ARG A 42 60.849 9.086 4.119 1.00 0.00 C ATOM 579 CD ARG A 42 61.200 9.350 5.583 1.00 0.00 C ATOM 580 NE ARG A 42 59.950 9.606 6.350 1.00 0.00 N ATOM 581 CZ ARG A 42 60.007 9.845 7.630 1.00 0.00 C ATOM 582 NH1 ARG A 42 61.160 9.859 8.242 1.00 0.00 N ATOM 583 NH2 ARG A 42 58.910 10.073 8.299 1.00 0.00 N ATOM 0 H ARG A 42 61.065 6.337 2.219 1.00 0.00 H new ATOM 0 HA ARG A 42 61.322 9.247 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.477 7.693 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.883 9.350 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.465 9.996 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.059 8.338 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.729 8.494 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.869 10.207 5.660 1.00 0.00 H new ATOM 0 HE ARG A 42 59.048 9.594 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.017 9.683 7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.203 10.046 9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 42 58.009 10.064 7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 42 58.953 10.260 9.301 1.00 0.00 H new ATOM 597 N GLY A 43 63.028 6.672 0.735 1.00 0.00 N ATOM 598 CA GLY A 43 64.222 6.153 -0.010 1.00 0.00 C ATOM 599 C GLY A 43 64.573 4.778 0.550 1.00 0.00 C ATOM 600 O GLY A 43 63.753 4.143 1.173 1.00 0.00 O ATOM 0 H GLY A 43 62.282 5.991 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.005 6.085 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.065 6.835 0.101 1.00 0.00 H new ATOM 604 N VAL A 44 65.781 4.310 0.345 1.00 0.00 N ATOM 605 CA VAL A 44 66.182 2.966 0.883 1.00 0.00 C ATOM 606 C VAL A 44 67.360 3.149 1.834 1.00 0.00 C ATOM 607 O VAL A 44 68.357 3.756 1.493 1.00 0.00 O ATOM 608 CB VAL A 44 66.598 2.059 -0.283 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.205 0.754 0.255 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.362 1.729 -1.132 1.00 0.00 C ATOM 0 H VAL A 44 66.510 4.800 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 44 65.347 2.510 1.415 1.00 0.00 H new ATOM 0 HB VAL A 44 67.341 2.575 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.497 0.117 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.082 0.983 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.467 0.235 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.652 1.085 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.624 1.216 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.932 2.651 -1.522 1.00 0.00 H new ATOM 620 N SER A 45 67.263 2.625 3.026 1.00 0.00 N ATOM 621 CA SER A 45 68.390 2.773 3.986 1.00 0.00 C ATOM 622 C SER A 45 69.435 1.704 3.690 1.00 0.00 C ATOM 623 O SER A 45 69.110 0.564 3.406 1.00 0.00 O ATOM 624 CB SER A 45 67.880 2.628 5.426 1.00 0.00 C ATOM 625 OG SER A 45 66.811 1.701 5.448 1.00 0.00 O ATOM 0 H SER A 45 66.457 2.105 3.373 1.00 0.00 H new ATOM 0 HA SER A 45 68.836 3.762 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 45 68.685 2.289 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.548 3.594 5.806 1.00 0.00 H new ATOM 0 HG SER A 45 66.900 1.117 6.230 1.00 0.00 H new ATOM 631 N VAL A 46 70.688 2.072 3.763 1.00 0.00 N ATOM 632 CA VAL A 46 71.791 1.101 3.493 1.00 0.00 C ATOM 633 C VAL A 46 72.662 0.987 4.736 1.00 0.00 C ATOM 634 O VAL A 46 73.129 1.966 5.283 1.00 0.00 O ATOM 635 CB VAL A 46 72.638 1.596 2.321 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.294 2.934 2.679 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.723 0.563 2.004 1.00 0.00 C ATOM 0 H VAL A 46 70.998 3.014 4.001 1.00 0.00 H new ATOM 0 HA VAL A 46 71.370 0.127 3.243 1.00 0.00 H new ATOM 0 HB VAL A 46 71.998 1.734 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.896 3.280 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.521 3.670 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 46 73.932 2.804 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.328 0.915 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.359 0.423 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.256 -0.386 1.740 1.00 0.00 H new ATOM 647 N SER A 47 72.876 -0.214 5.180 1.00 0.00 N ATOM 648 CA SER A 47 73.710 -0.464 6.389 1.00 0.00 C ATOM 649 C SER A 47 74.766 -1.497 6.027 1.00 0.00 C ATOM 650 O SER A 47 74.550 -2.334 5.177 1.00 0.00 O ATOM 651 CB SER A 47 72.805 -1.007 7.496 1.00 0.00 C ATOM 652 OG SER A 47 71.937 -1.985 6.945 1.00 0.00 O ATOM 0 H SER A 47 72.499 -1.057 4.746 1.00 0.00 H new ATOM 0 HA SER A 47 74.193 0.451 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 47 73.406 -1.444 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.226 -0.197 7.940 1.00 0.00 H new ATOM 0 HG SER A 47 72.333 -2.350 6.127 1.00 0.00 H new ATOM 658 N GLY A 48 75.913 -1.456 6.639 1.00 0.00 N ATOM 659 CA GLY A 48 76.941 -2.472 6.266 1.00 0.00 C ATOM 660 C GLY A 48 78.116 -2.472 7.244 1.00 0.00 C ATOM 661 O GLY A 48 78.365 -1.513 7.949 1.00 0.00 O ATOM 0 H GLY A 48 76.182 -0.787 7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 48 76.484 -3.461 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 48 77.305 -2.268 5.259 1.00 0.00 H new ATOM 665 N VAL A 49 78.847 -3.561 7.270 1.00 0.00 N ATOM 666 CA VAL A 49 80.034 -3.680 8.171 1.00 0.00 C ATOM 667 C VAL A 49 81.226 -4.194 7.364 1.00 0.00 C ATOM 668 O VAL A 49 81.100 -5.113 6.579 1.00 0.00 O ATOM 669 CB VAL A 49 79.740 -4.682 9.292 1.00 0.00 C ATOM 670 CG1 VAL A 49 81.003 -4.882 10.136 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.615 -4.146 10.181 1.00 0.00 C ATOM 0 H VAL A 49 78.667 -4.384 6.695 1.00 0.00 H new ATOM 0 HA VAL A 49 80.255 -2.702 8.599 1.00 0.00 H new ATOM 0 HB VAL A 49 79.434 -5.633 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.798 -5.595 10.935 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.805 -5.265 9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.306 -3.929 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.408 -4.861 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.918 -3.194 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.716 -4.000 9.582 1.00 0.00 H new ATOM 681 N PHE A 50 82.387 -3.622 7.568 1.00 0.00 N ATOM 682 CA PHE A 50 83.607 -4.082 6.834 1.00 0.00 C ATOM 683 C PHE A 50 84.513 -4.820 7.828 1.00 0.00 C ATOM 684 O PHE A 50 84.881 -4.283 8.854 1.00 0.00 O ATOM 685 CB PHE A 50 84.333 -2.858 6.256 1.00 0.00 C ATOM 686 CG PHE A 50 83.542 -2.334 5.075 1.00 0.00 C ATOM 687 CD1 PHE A 50 83.476 -3.090 3.899 1.00 0.00 C ATOM 688 CD2 PHE A 50 82.864 -1.107 5.154 1.00 0.00 C ATOM 689 CE1 PHE A 50 82.742 -2.629 2.805 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.124 -0.648 4.056 1.00 0.00 C ATOM 691 CZ PHE A 50 82.066 -1.411 2.881 1.00 0.00 C ATOM 0 H PHE A 50 82.543 -2.850 8.216 1.00 0.00 H new ATOM 0 HA PHE A 50 83.341 -4.751 6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.432 -2.084 7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.341 -3.130 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 50 83.996 -4.035 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 50 82.913 -0.519 6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 50 82.697 -3.215 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 50 81.598 0.294 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 50 81.498 -1.056 2.034 1.00 0.00 H new ATOM 701 N TYR A 51 84.866 -6.049 7.553 1.00 0.00 N ATOM 702 CA TYR A 51 85.733 -6.817 8.507 1.00 0.00 C ATOM 703 C TYR A 51 87.196 -6.713 8.074 1.00 0.00 C ATOM 704 O TYR A 51 87.533 -7.010 6.948 1.00 0.00 O ATOM 705 CB TYR A 51 85.305 -8.286 8.500 1.00 0.00 C ATOM 706 CG TYR A 51 83.995 -8.436 9.241 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.811 -7.959 8.667 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.964 -9.045 10.503 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.596 -8.093 9.351 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.750 -9.178 11.188 1.00 0.00 C ATOM 711 CZ TYR A 51 81.567 -8.702 10.612 1.00 0.00 C ATOM 712 OH TYR A 51 80.370 -8.833 11.288 1.00 0.00 O ATOM 0 H TYR A 51 84.594 -6.557 6.711 1.00 0.00 H new ATOM 0 HA TYR A 51 85.625 -6.404 9.510 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.197 -8.639 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 51 86.073 -8.901 8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.834 -7.487 7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.877 -9.412 10.948 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.682 -7.727 8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.727 -9.648 12.160 1.00 0.00 H new ATOM 0 HH TYR A 51 80.526 -9.278 12.147 1.00 0.00 H new ATOM 722 N TYR A 52 88.071 -6.297 8.966 1.00 0.00 N ATOM 723 CA TYR A 52 89.522 -6.175 8.605 1.00 0.00 C ATOM 724 C TYR A 52 90.337 -7.219 9.366 1.00 0.00 C ATOM 725 O TYR A 52 90.241 -7.330 10.573 1.00 0.00 O ATOM 726 CB TYR A 52 90.034 -4.788 8.996 1.00 0.00 C ATOM 727 CG TYR A 52 89.212 -3.725 8.311 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.377 -3.482 6.943 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.282 -2.980 9.047 1.00 0.00 C ATOM 730 CE1 TYR A 52 88.612 -2.494 6.311 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.520 -1.992 8.415 1.00 0.00 C ATOM 732 CZ TYR A 52 87.684 -1.748 7.048 1.00 0.00 C ATOM 733 OH TYR A 52 86.933 -0.770 6.428 1.00 0.00 O ATOM 0 H TYR A 52 87.842 -6.038 9.926 1.00 0.00 H new ATOM 0 HA TYR A 52 89.629 -6.328 7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.979 -4.662 10.077 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.083 -4.686 8.716 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.094 -4.056 6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 52 88.153 -3.168 10.103 1.00 0.00 H new ATOM 0 HE1 TYR A 52 88.738 -2.307 5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.804 -1.417 8.983 1.00 0.00 H new ATOM 0 HH TYR A 52 86.338 -0.350 7.084 1.00 0.00 H new ATOM 743 N ASN A 53 91.163 -7.965 8.682 1.00 0.00 N ATOM 744 CA ASN A 53 92.005 -8.974 9.385 1.00 0.00 C ATOM 745 C ASN A 53 92.754 -8.271 10.517 1.00 0.00 C ATOM 746 O ASN A 53 93.358 -8.898 11.365 1.00 0.00 O ATOM 747 CB ASN A 53 93.013 -9.592 8.404 1.00 0.00 C ATOM 748 CG ASN A 53 93.534 -10.916 8.967 1.00 0.00 C ATOM 749 OD1 ASN A 53 93.440 -11.166 10.153 1.00 0.00 O ATOM 750 ND2 ASN A 53 94.085 -11.782 8.161 1.00 0.00 N ATOM 0 H ASN A 53 91.290 -7.919 7.671 1.00 0.00 H new ATOM 0 HA ASN A 53 91.376 -9.769 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.539 -9.758 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.842 -8.904 8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 53 94.436 -12.667 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 53 94.165 -11.574 7.166 1.00 0.00 H new ATOM 757 N ASP A 54 92.715 -6.965 10.532 1.00 0.00 N ATOM 758 CA ASP A 54 93.421 -6.212 11.603 1.00 0.00 C ATOM 759 C ASP A 54 92.720 -6.499 12.932 1.00 0.00 C ATOM 760 O ASP A 54 93.145 -6.063 13.984 1.00 0.00 O ATOM 761 CB ASP A 54 93.363 -4.710 11.298 1.00 0.00 C ATOM 762 CG ASP A 54 94.096 -3.931 12.395 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.542 -3.800 13.473 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.199 -3.478 12.136 1.00 0.00 O ATOM 0 H ASP A 54 92.224 -6.389 9.848 1.00 0.00 H new ATOM 0 HA ASP A 54 94.465 -6.519 11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.819 -4.508 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.326 -4.381 11.237 1.00 0.00 H new ATOM 769 N GLY A 55 91.657 -7.261 12.888 1.00 0.00 N ATOM 770 CA GLY A 55 90.927 -7.619 14.138 1.00 0.00 C ATOM 771 C GLY A 55 89.926 -6.527 14.524 1.00 0.00 C ATOM 772 O GLY A 55 89.496 -6.461 15.659 1.00 0.00 O ATOM 0 H GLY A 55 91.262 -7.652 12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 55 90.403 -8.564 13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.640 -7.767 14.949 1.00 0.00 H new ATOM 776 N THR A 56 89.546 -5.667 13.604 1.00 0.00 N ATOM 777 CA THR A 56 88.565 -4.583 13.947 1.00 0.00 C ATOM 778 C THR A 56 87.474 -4.486 12.889 1.00 0.00 C ATOM 779 O THR A 56 87.670 -4.816 11.739 1.00 0.00 O ATOM 780 CB THR A 56 89.289 -3.243 14.062 1.00 0.00 C ATOM 781 OG1 THR A 56 90.122 -3.050 12.929 1.00 0.00 O ATOM 782 CG2 THR A 56 90.129 -3.235 15.337 1.00 0.00 C ATOM 0 H THR A 56 89.870 -5.668 12.637 1.00 0.00 H new ATOM 0 HA THR A 56 88.102 -4.830 14.902 1.00 0.00 H new ATOM 0 HB THR A 56 88.560 -2.434 14.104 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.584 -2.189 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.648 -2.281 15.425 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.480 -3.375 16.201 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.859 -4.043 15.297 1.00 0.00 H new ATOM 790 N THR A 57 86.312 -4.036 13.294 1.00 0.00 N ATOM 791 CA THR A 57 85.163 -3.909 12.345 1.00 0.00 C ATOM 792 C THR A 57 84.543 -2.518 12.464 1.00 0.00 C ATOM 793 O THR A 57 84.422 -1.969 13.540 1.00 0.00 O ATOM 794 CB THR A 57 84.099 -4.951 12.703 1.00 0.00 C ATOM 795 OG1 THR A 57 83.579 -4.664 13.995 1.00 0.00 O ATOM 796 CG2 THR A 57 84.732 -6.343 12.705 1.00 0.00 C ATOM 0 H THR A 57 86.109 -3.748 14.251 1.00 0.00 H new ATOM 0 HA THR A 57 85.520 -4.065 11.327 1.00 0.00 H new ATOM 0 HB THR A 57 83.293 -4.920 11.970 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.896 -5.327 14.228 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.976 -7.086 12.960 1.00 0.00 H new ATOM 0 HG22 THR A 57 85.136 -6.560 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.536 -6.376 13.441 1.00 0.00 H new ATOM 804 N SER A 58 84.127 -1.962 11.357 1.00 0.00 N ATOM 805 CA SER A 58 83.479 -0.617 11.363 1.00 0.00 C ATOM 806 C SER A 58 82.055 -0.790 10.852 1.00 0.00 C ATOM 807 O SER A 58 81.817 -1.545 9.933 1.00 0.00 O ATOM 808 CB SER A 58 84.242 0.325 10.430 1.00 0.00 C ATOM 809 OG SER A 58 85.516 0.612 10.992 1.00 0.00 O ATOM 0 H SER A 58 84.210 -2.390 10.435 1.00 0.00 H new ATOM 0 HA SER A 58 83.481 -0.195 12.368 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.360 -0.134 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 58 83.679 1.247 10.286 1.00 0.00 H new ATOM 0 HG SER A 58 86.037 1.153 10.362 1.00 0.00 H new ATOM 815 N ASN A 59 81.104 -0.098 11.424 1.00 0.00 N ATOM 816 CA ASN A 59 79.690 -0.225 10.953 1.00 0.00 C ATOM 817 C ASN A 59 79.183 1.169 10.614 1.00 0.00 C ATOM 818 O ASN A 59 79.077 2.019 11.476 1.00 0.00 O ATOM 819 CB ASN A 59 78.830 -0.814 12.079 1.00 0.00 C ATOM 820 CG ASN A 59 79.507 -2.063 12.646 1.00 0.00 C ATOM 821 OD1 ASN A 59 80.544 -2.477 12.167 1.00 0.00 O ATOM 822 ND2 ASN A 59 78.957 -2.692 13.650 1.00 0.00 N ATOM 0 H ASN A 59 81.245 0.551 12.198 1.00 0.00 H new ATOM 0 HA ASN A 59 79.635 -0.877 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.690 -0.075 12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 59 77.840 -1.066 11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 59 79.398 -3.529 14.031 1.00 0.00 H new ATOM 0 HD22 ASN A 59 78.086 -2.346 14.053 1.00 0.00 H new ATOM 829 N PHE A 60 78.862 1.412 9.365 1.00 0.00 N ATOM 830 CA PHE A 60 78.351 2.754 8.961 1.00 0.00 C ATOM 831 C PHE A 60 76.935 2.599 8.433 1.00 0.00 C ATOM 832 O PHE A 60 76.687 1.889 7.476 1.00 0.00 O ATOM 833 CB PHE A 60 79.261 3.350 7.886 1.00 0.00 C ATOM 834 CG PHE A 60 80.586 3.726 8.512 1.00 0.00 C ATOM 835 CD1 PHE A 60 80.645 4.770 9.445 1.00 0.00 C ATOM 836 CD2 PHE A 60 81.755 3.035 8.166 1.00 0.00 C ATOM 837 CE1 PHE A 60 81.868 5.121 10.031 1.00 0.00 C ATOM 838 CE2 PHE A 60 82.978 3.387 8.751 1.00 0.00 C ATOM 839 CZ PHE A 60 83.035 4.430 9.683 1.00 0.00 C ATOM 0 H PHE A 60 78.934 0.733 8.607 1.00 0.00 H new ATOM 0 HA PHE A 60 78.345 3.427 9.818 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.416 2.630 7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 60 78.793 4.228 7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.746 5.305 9.713 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.713 2.230 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 60 81.911 5.925 10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 60 83.878 2.853 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 60 83.978 4.701 10.133 1.00 0.00 H new ATOM 849 N LYS A 61 76.007 3.272 9.051 1.00 0.00 N ATOM 850 CA LYS A 61 74.595 3.210 8.622 1.00 0.00 C ATOM 851 C LYS A 61 74.213 4.576 8.091 1.00 0.00 C ATOM 852 O LYS A 61 74.731 5.592 8.509 1.00 0.00 O ATOM 853 CB LYS A 61 73.715 2.852 9.814 1.00 0.00 C ATOM 854 CG LYS A 61 73.980 1.405 10.192 1.00 0.00 C ATOM 855 CD LYS A 61 73.106 1.016 11.387 1.00 0.00 C ATOM 856 CE LYS A 61 73.370 -0.441 11.775 1.00 0.00 C ATOM 857 NZ LYS A 61 74.778 -0.597 12.237 1.00 0.00 N ATOM 0 H LYS A 61 76.179 3.876 9.855 1.00 0.00 H new ATOM 0 HA LYS A 61 74.460 2.452 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 61 73.932 3.509 10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 61 72.663 2.992 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 61 73.766 0.753 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 61 75.033 1.271 10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 61 73.319 1.671 12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.053 1.150 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 61 72.683 -0.746 12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 61 73.184 -1.093 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 74.867 -1.474 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 75.411 -0.641 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 75.040 0.215 12.831 1.00 0.00 H new ATOM 871 N GLY A 62 73.320 4.607 7.169 1.00 0.00 N ATOM 872 CA GLY A 62 72.907 5.921 6.596 1.00 0.00 C ATOM 873 C GLY A 62 71.665 5.766 5.721 1.00 0.00 C ATOM 874 O GLY A 62 71.090 4.700 5.619 1.00 0.00 O ATOM 0 H GLY A 62 72.851 3.790 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 62 72.704 6.626 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 62 73.723 6.338 6.006 1.00 0.00 H new ATOM 878 N VAL A 63 71.250 6.841 5.093 1.00 0.00 N ATOM 879 CA VAL A 63 70.040 6.805 4.209 1.00 0.00 C ATOM 880 C VAL A 63 70.411 7.259 2.800 1.00 0.00 C ATOM 881 O VAL A 63 71.008 8.301 2.609 1.00 0.00 O ATOM 882 CB VAL A 63 68.967 7.726 4.790 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.725 7.709 3.893 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.590 7.221 6.182 1.00 0.00 C ATOM 0 H VAL A 63 71.703 7.752 5.156 1.00 0.00 H new ATOM 0 HA VAL A 63 69.656 5.786 4.158 1.00 0.00 H new ATOM 0 HB VAL A 63 69.351 8.745 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 66.964 8.367 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 63 67.993 8.054 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.333 6.694 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 63 67.825 7.869 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.205 6.204 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.471 7.229 6.823 1.00 0.00 H new ATOM 894 N VAL A 64 70.075 6.474 1.807 1.00 0.00 N ATOM 895 CA VAL A 64 70.419 6.844 0.402 1.00 0.00 C ATOM 896 C VAL A 64 69.209 7.462 -0.293 1.00 0.00 C ATOM 897 O VAL A 64 68.187 6.824 -0.478 1.00 0.00 O ATOM 898 CB VAL A 64 70.834 5.582 -0.357 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.376 5.962 -1.737 1.00 0.00 C ATOM 900 CG2 VAL A 64 71.920 4.853 0.430 1.00 0.00 C ATOM 0 H VAL A 64 69.576 5.591 1.910 1.00 0.00 H new ATOM 0 HA VAL A 64 71.234 7.568 0.413 1.00 0.00 H new ATOM 0 HB VAL A 64 69.967 4.932 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.670 5.060 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.602 6.483 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.242 6.614 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.218 3.953 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.784 5.507 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.535 4.578 1.412 1.00 0.00 H new ATOM 910 N THR A 65 69.341 8.696 -0.710 1.00 0.00 N ATOM 911 CA THR A 65 68.238 9.393 -1.437 1.00 0.00 C ATOM 912 C THR A 65 68.773 9.757 -2.828 1.00 0.00 C ATOM 913 O THR A 65 69.957 9.980 -2.984 1.00 0.00 O ATOM 914 CB THR A 65 67.852 10.672 -0.685 1.00 0.00 C ATOM 915 OG1 THR A 65 68.897 11.630 -0.810 1.00 0.00 O ATOM 916 CG2 THR A 65 67.627 10.350 0.793 1.00 0.00 C ATOM 0 H THR A 65 70.181 9.259 -0.575 1.00 0.00 H new ATOM 0 HA THR A 65 67.357 8.755 -1.511 1.00 0.00 H new ATOM 0 HB THR A 65 66.934 11.079 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.548 12.523 -0.608 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.353 11.260 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.825 9.618 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.543 9.942 1.220 1.00 0.00 H new ATOM 924 N PRO A 66 67.938 9.813 -3.833 1.00 0.00 N ATOM 925 CA PRO A 66 68.389 10.150 -5.211 1.00 0.00 C ATOM 926 C PRO A 66 69.472 11.240 -5.239 1.00 0.00 C ATOM 927 O PRO A 66 70.272 11.299 -6.152 1.00 0.00 O ATOM 928 CB PRO A 66 67.105 10.644 -5.881 1.00 0.00 C ATOM 929 CG PRO A 66 66.011 9.861 -5.226 1.00 0.00 C ATOM 930 CD PRO A 66 66.482 9.571 -3.789 1.00 0.00 C ATOM 0 HA PRO A 66 68.852 9.297 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.968 11.715 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.127 10.470 -6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.079 10.425 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.820 8.934 -5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 66 65.991 10.225 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.257 8.546 -3.495 1.00 0.00 H new ATOM 938 N SER A 67 69.487 12.116 -4.259 1.00 0.00 N ATOM 939 CA SER A 67 70.502 13.225 -4.239 1.00 0.00 C ATOM 940 C SER A 67 71.561 13.006 -3.146 1.00 0.00 C ATOM 941 O SER A 67 72.484 13.790 -3.028 1.00 0.00 O ATOM 942 CB SER A 67 69.781 14.546 -3.972 1.00 0.00 C ATOM 943 OG SER A 67 69.004 14.892 -5.111 1.00 0.00 O ATOM 0 H SER A 67 68.840 12.112 -3.471 1.00 0.00 H new ATOM 0 HA SER A 67 71.009 13.242 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 67 69.141 14.454 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 67 70.505 15.332 -3.758 1.00 0.00 H new ATOM 0 HG SER A 67 68.538 15.738 -4.944 1.00 0.00 H new ATOM 949 N THR A 68 71.443 11.975 -2.335 1.00 0.00 N ATOM 950 CA THR A 68 72.458 11.753 -1.242 1.00 0.00 C ATOM 951 C THR A 68 73.077 10.343 -1.340 1.00 0.00 C ATOM 952 O THR A 68 72.444 9.369 -0.981 1.00 0.00 O ATOM 953 CB THR A 68 71.756 11.878 0.114 1.00 0.00 C ATOM 954 OG1 THR A 68 70.917 13.024 0.110 1.00 0.00 O ATOM 955 CG2 THR A 68 72.804 12.016 1.222 1.00 0.00 C ATOM 0 H THR A 68 70.696 11.282 -2.380 1.00 0.00 H new ATOM 0 HA THR A 68 73.249 12.495 -1.347 1.00 0.00 H new ATOM 0 HB THR A 68 71.153 10.988 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.151 12.866 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.304 12.105 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.447 11.136 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.408 12.906 1.043 1.00 0.00 H new ATOM 963 N PRO A 69 74.318 10.223 -1.777 1.00 0.00 N ATOM 964 CA PRO A 69 75.021 8.912 -1.862 1.00 0.00 C ATOM 965 C PRO A 69 75.826 8.619 -0.586 1.00 0.00 C ATOM 966 O PRO A 69 76.075 9.506 0.206 1.00 0.00 O ATOM 967 CB PRO A 69 75.957 9.125 -3.045 1.00 0.00 C ATOM 968 CG PRO A 69 76.382 10.556 -2.915 1.00 0.00 C ATOM 969 CD PRO A 69 75.199 11.305 -2.264 1.00 0.00 C ATOM 0 HA PRO A 69 74.342 8.067 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.811 8.449 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.451 8.943 -3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.279 10.640 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.621 10.980 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.533 11.946 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.687 11.944 -2.983 1.00 0.00 H new ATOM 977 N VAL A 70 76.243 7.390 -0.386 1.00 0.00 N ATOM 978 CA VAL A 70 77.042 7.041 0.838 1.00 0.00 C ATOM 979 C VAL A 70 78.407 6.499 0.399 1.00 0.00 C ATOM 980 O VAL A 70 78.498 5.635 -0.452 1.00 0.00 O ATOM 981 CB VAL A 70 76.298 5.971 1.642 1.00 0.00 C ATOM 982 CG1 VAL A 70 77.107 5.610 2.891 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.932 6.514 2.069 1.00 0.00 C ATOM 0 H VAL A 70 76.065 6.610 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 70 77.179 7.926 1.459 1.00 0.00 H new ATOM 0 HB VAL A 70 76.166 5.083 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.575 4.848 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 70 78.083 5.226 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.240 6.499 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.401 5.754 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.070 7.402 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.351 6.774 1.184 1.00 0.00 H new ATOM 993 N ASN A 71 79.472 7.017 0.960 1.00 0.00 N ATOM 994 CA ASN A 71 80.841 6.558 0.567 1.00 0.00 C ATOM 995 C ASN A 71 81.374 5.560 1.597 1.00 0.00 C ATOM 996 O ASN A 71 81.495 5.875 2.766 1.00 0.00 O ATOM 997 CB ASN A 71 81.773 7.769 0.526 1.00 0.00 C ATOM 998 CG ASN A 71 81.323 8.721 -0.583 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.763 8.298 -1.574 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.543 10.001 -0.455 1.00 0.00 N ATOM 0 H ASN A 71 79.452 7.742 1.677 1.00 0.00 H new ATOM 0 HA ASN A 71 80.795 6.078 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.762 8.282 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.799 7.446 0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 71 81.245 10.645 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 71 82.013 10.357 0.377 1.00 0.00 H new ATOM 1007 N THR A 72 81.707 4.366 1.182 1.00 0.00 N ATOM 1008 CA THR A 72 82.248 3.348 2.141 1.00 0.00 C ATOM 1009 C THR A 72 83.771 3.298 2.002 1.00 0.00 C ATOM 1010 O THR A 72 84.432 2.471 2.597 1.00 0.00 O ATOM 1011 CB THR A 72 81.666 1.962 1.813 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.654 0.972 2.059 1.00 0.00 O ATOM 1013 CG2 THR A 72 81.249 1.890 0.341 1.00 0.00 C ATOM 0 H THR A 72 81.628 4.047 0.216 1.00 0.00 H new ATOM 0 HA THR A 72 81.972 3.623 3.159 1.00 0.00 H new ATOM 0 HB THR A 72 80.791 1.791 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.280 0.272 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.840 0.903 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 80.492 2.648 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 72 82.118 2.068 -0.292 1.00 0.00 H new ATOM 1021 N ASN A 73 84.329 4.169 1.211 1.00 0.00 N ATOM 1022 CA ASN A 73 85.804 4.164 1.022 1.00 0.00 C ATOM 1023 C ASN A 73 86.484 4.717 2.273 1.00 0.00 C ATOM 1024 O ASN A 73 87.371 5.543 2.193 1.00 0.00 O ATOM 1025 CB ASN A 73 86.164 5.035 -0.182 1.00 0.00 C ATOM 1026 CG ASN A 73 85.686 6.466 0.062 1.00 0.00 C ATOM 1027 OD1 ASN A 73 85.037 6.741 1.052 1.00 0.00 O ATOM 1028 ND2 ASN A 73 85.982 7.398 -0.802 1.00 0.00 N ATOM 0 H ASN A 73 83.826 4.885 0.687 1.00 0.00 H new ATOM 0 HA ASN A 73 86.144 3.143 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 73 87.242 5.023 -0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.702 4.635 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 73 85.669 8.356 -0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 73 86.527 7.168 -1.633 1.00 0.00 H new ATOM 1035 N GLN A 74 86.081 4.268 3.433 1.00 0.00 N ATOM 1036 CA GLN A 74 86.716 4.775 4.685 1.00 0.00 C ATOM 1037 C GLN A 74 88.239 4.736 4.529 1.00 0.00 C ATOM 1038 O GLN A 74 88.840 5.676 4.050 1.00 0.00 O ATOM 1039 CB GLN A 74 86.291 3.894 5.867 1.00 0.00 C ATOM 1040 CG GLN A 74 86.938 4.405 7.161 1.00 0.00 C ATOM 1041 CD GLN A 74 86.506 3.519 8.334 1.00 0.00 C ATOM 1042 OE1 GLN A 74 86.256 2.343 8.162 1.00 0.00 O ATOM 1043 NE2 GLN A 74 86.418 4.038 9.528 1.00 0.00 N ATOM 0 H GLN A 74 85.344 3.576 3.567 1.00 0.00 H new ATOM 0 HA GLN A 74 86.397 5.801 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 74 85.205 3.902 5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 74 86.587 2.861 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 74 88.024 4.396 7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 74 86.643 5.438 7.344 1.00 0.00 H new ATOM 0 HE21 GLN A 74 86.628 5.026 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 74 86.139 3.456 10.318 1.00 0.00 H new ATOM 1052 N ASP A 75 88.865 3.656 4.931 1.00 0.00 N ATOM 1053 CA ASP A 75 90.354 3.544 4.809 1.00 0.00 C ATOM 1054 C ASP A 75 90.710 2.447 3.801 1.00 0.00 C ATOM 1055 O ASP A 75 90.628 1.272 4.101 1.00 0.00 O ATOM 1056 CB ASP A 75 90.932 3.177 6.176 1.00 0.00 C ATOM 1057 CG ASP A 75 90.709 4.334 7.149 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.562 5.451 6.684 1.00 0.00 O ATOM 1059 OD2 ASP A 75 90.680 4.081 8.343 1.00 0.00 O ATOM 0 H ASP A 75 88.406 2.842 5.341 1.00 0.00 H new ATOM 0 HA ASP A 75 90.767 4.493 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 75 90.455 2.273 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.997 2.962 6.087 1.00 0.00 H new ATOM 1064 N ILE A 76 91.123 2.811 2.615 1.00 0.00 N ATOM 1065 CA ILE A 76 91.499 1.772 1.612 1.00 0.00 C ATOM 1066 C ILE A 76 92.909 1.278 1.922 1.00 0.00 C ATOM 1067 O ILE A 76 93.265 0.157 1.617 1.00 0.00 O ATOM 1068 CB ILE A 76 91.441 2.354 0.197 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.978 2.655 -0.144 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.008 1.340 -0.809 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.888 3.330 -1.511 1.00 0.00 C ATOM 0 H ILE A 76 91.216 3.776 2.299 1.00 0.00 H new ATOM 0 HA ILE A 76 90.797 0.940 1.666 1.00 0.00 H new ATOM 0 HB ILE A 76 92.034 3.267 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 76 89.399 1.731 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 76 89.544 3.301 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.964 1.761 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 76 93.044 1.116 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 76 91.419 0.424 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.844 3.540 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 76 90.451 4.263 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 76 90.304 2.669 -2.271 1.00 0.00 H new ATOM 1083 N ASN A 77 93.718 2.099 2.536 1.00 0.00 N ATOM 1084 CA ASN A 77 95.096 1.654 2.863 1.00 0.00 C ATOM 1085 C ASN A 77 94.991 0.435 3.765 1.00 0.00 C ATOM 1086 O ASN A 77 95.714 -0.517 3.612 1.00 0.00 O ATOM 1087 CB ASN A 77 95.860 2.770 3.581 1.00 0.00 C ATOM 1088 CG ASN A 77 97.274 2.290 3.918 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.500 1.728 4.971 1.00 0.00 O ATOM 1090 ND2 ASN A 77 98.246 2.496 3.071 1.00 0.00 N ATOM 0 H ASN A 77 93.484 3.050 2.822 1.00 0.00 H new ATOM 0 HA ASN A 77 95.637 1.408 1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.907 3.657 2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 77 95.335 3.056 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 77 99.192 2.185 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 77 98.060 2.968 2.186 1.00 0.00 H new ATOM 1097 N LYS A 78 94.071 0.441 4.682 1.00 0.00 N ATOM 1098 CA LYS A 78 93.895 -0.745 5.562 1.00 0.00 C ATOM 1099 C LYS A 78 93.328 -1.900 4.727 1.00 0.00 C ATOM 1100 O LYS A 78 93.807 -3.007 4.783 1.00 0.00 O ATOM 1101 CB LYS A 78 92.906 -0.391 6.675 1.00 0.00 C ATOM 1102 CG LYS A 78 92.819 -1.543 7.685 1.00 0.00 C ATOM 1103 CD LYS A 78 91.579 -1.376 8.569 1.00 0.00 C ATOM 1104 CE LYS A 78 91.765 -0.194 9.526 1.00 0.00 C ATOM 1105 NZ LYS A 78 93.031 -0.366 10.294 1.00 0.00 N ATOM 0 H LYS A 78 93.432 1.215 4.862 1.00 0.00 H new ATOM 0 HA LYS A 78 94.850 -1.038 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.224 0.522 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.922 -0.194 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.774 -2.496 7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.716 -1.563 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.699 -1.214 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 78 91.403 -2.289 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 78 91.792 0.740 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.919 -0.130 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 92.911 0.021 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 93.265 -1.377 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 93.801 0.139 9.811 1.00 0.00 H new ATOM 1119 N THR A 79 92.298 -1.655 3.963 1.00 0.00 N ATOM 1120 CA THR A 79 91.696 -2.757 3.160 1.00 0.00 C ATOM 1121 C THR A 79 92.714 -3.318 2.153 1.00 0.00 C ATOM 1122 O THR A 79 92.931 -4.501 2.097 1.00 0.00 O ATOM 1123 CB THR A 79 90.405 -2.233 2.485 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.294 -2.939 3.016 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.416 -2.404 0.957 1.00 0.00 C ATOM 0 H THR A 79 91.850 -0.745 3.860 1.00 0.00 H new ATOM 0 HA THR A 79 91.424 -3.592 3.806 1.00 0.00 H new ATOM 0 HB THR A 79 90.339 -1.165 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.470 -2.614 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.485 -2.019 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.257 -1.854 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.513 -3.461 0.710 1.00 0.00 H new ATOM 1133 N ASN A 80 93.353 -2.511 1.366 1.00 0.00 N ATOM 1134 CA ASN A 80 94.336 -3.099 0.407 1.00 0.00 C ATOM 1135 C ASN A 80 95.500 -3.703 1.197 1.00 0.00 C ATOM 1136 O ASN A 80 96.146 -4.633 0.760 1.00 0.00 O ATOM 1137 CB ASN A 80 94.841 -2.034 -0.568 1.00 0.00 C ATOM 1138 CG ASN A 80 95.561 -0.917 0.185 1.00 0.00 C ATOM 1139 OD1 ASN A 80 96.273 -1.166 1.137 1.00 0.00 O ATOM 1140 ND2 ASN A 80 95.408 0.316 -0.216 1.00 0.00 N ATOM 0 H ASN A 80 93.248 -1.497 1.337 1.00 0.00 H new ATOM 0 HA ASN A 80 93.850 -3.880 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.518 -2.487 -1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 80 94.003 -1.621 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 80 95.887 1.074 0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 80 94.809 0.522 -1.016 1.00 0.00 H new ATOM 1147 N LYS A 81 95.759 -3.188 2.362 1.00 0.00 N ATOM 1148 CA LYS A 81 96.867 -3.725 3.205 1.00 0.00 C ATOM 1149 C LYS A 81 96.509 -5.122 3.735 1.00 0.00 C ATOM 1150 O LYS A 81 97.297 -6.043 3.645 1.00 0.00 O ATOM 1151 CB LYS A 81 97.090 -2.754 4.373 1.00 0.00 C ATOM 1152 CG LYS A 81 98.034 -3.349 5.418 1.00 0.00 C ATOM 1153 CD LYS A 81 99.316 -3.837 4.746 1.00 0.00 C ATOM 1154 CE LYS A 81 100.437 -3.937 5.783 1.00 0.00 C ATOM 1155 NZ LYS A 81 101.588 -4.685 5.199 1.00 0.00 N ATOM 0 H LYS A 81 95.246 -2.409 2.774 1.00 0.00 H new ATOM 0 HA LYS A 81 97.777 -3.816 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.504 -1.818 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.133 -2.515 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.272 -2.600 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 81 97.545 -4.177 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 81 99.148 -4.810 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 81 99.604 -3.151 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.755 -2.940 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.076 -4.444 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 102.351 -4.754 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 101.280 -5.641 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 101.937 -4.183 4.358 1.00 0.00 H new ATOM 1169 N VAL A 82 95.332 -5.289 4.298 1.00 0.00 N ATOM 1170 CA VAL A 82 94.932 -6.629 4.857 1.00 0.00 C ATOM 1171 C VAL A 82 93.749 -7.220 4.070 1.00 0.00 C ATOM 1172 O VAL A 82 93.581 -8.422 4.011 1.00 0.00 O ATOM 1173 CB VAL A 82 94.544 -6.452 6.338 1.00 0.00 C ATOM 1174 CG1 VAL A 82 95.803 -6.385 7.229 1.00 0.00 C ATOM 1175 CG2 VAL A 82 93.769 -5.145 6.510 1.00 0.00 C ATOM 0 H VAL A 82 94.629 -4.556 4.396 1.00 0.00 H new ATOM 0 HA VAL A 82 95.771 -7.319 4.770 1.00 0.00 H new ATOM 0 HB VAL A 82 93.933 -7.305 6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.506 -6.260 8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 82 96.373 -7.308 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 96.420 -5.540 6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.495 -5.020 7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 82 94.393 -4.308 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 82 92.866 -5.174 5.899 1.00 0.00 H new ATOM 1185 N GLY A 83 92.938 -6.402 3.454 1.00 0.00 N ATOM 1186 CA GLY A 83 91.790 -6.936 2.663 1.00 0.00 C ATOM 1187 C GLY A 83 90.578 -7.143 3.560 1.00 0.00 C ATOM 1188 O GLY A 83 90.679 -7.223 4.767 1.00 0.00 O ATOM 0 H GLY A 83 93.021 -5.385 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.541 -6.244 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.070 -7.880 2.196 1.00 0.00 H new ATOM 1192 N VAL A 84 89.429 -7.237 2.957 1.00 0.00 N ATOM 1193 CA VAL A 84 88.171 -7.450 3.728 1.00 0.00 C ATOM 1194 C VAL A 84 87.784 -8.929 3.640 1.00 0.00 C ATOM 1195 O VAL A 84 87.539 -9.449 2.570 1.00 0.00 O ATOM 1196 CB VAL A 84 87.062 -6.604 3.108 1.00 0.00 C ATOM 1197 CG1 VAL A 84 85.822 -6.662 3.999 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.536 -5.151 2.975 1.00 0.00 C ATOM 0 H VAL A 84 89.304 -7.175 1.947 1.00 0.00 H new ATOM 0 HA VAL A 84 88.315 -7.165 4.770 1.00 0.00 H new ATOM 0 HB VAL A 84 86.817 -6.993 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.029 -6.058 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.486 -7.695 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.066 -6.274 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 84 86.743 -4.549 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.783 -4.757 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.419 -5.113 2.337 1.00 0.00 H new ATOM 1208 N GLN A 85 87.749 -9.618 4.749 1.00 0.00 N ATOM 1209 CA GLN A 85 87.402 -11.071 4.715 1.00 0.00 C ATOM 1210 C GLN A 85 85.903 -11.288 4.483 1.00 0.00 C ATOM 1211 O GLN A 85 85.504 -11.947 3.543 1.00 0.00 O ATOM 1212 CB GLN A 85 87.788 -11.719 6.048 1.00 0.00 C ATOM 1213 CG GLN A 85 89.310 -11.787 6.178 1.00 0.00 C ATOM 1214 CD GLN A 85 89.676 -12.216 7.600 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.949 -11.941 8.533 1.00 0.00 O ATOM 1216 NE2 GLN A 85 90.778 -12.884 7.807 1.00 0.00 N ATOM 0 H GLN A 85 87.945 -9.240 5.676 1.00 0.00 H new ATOM 0 HA GLN A 85 87.951 -11.524 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 85 87.370 -11.145 6.875 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.365 -12.722 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 85 89.717 -12.495 5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 85 89.750 -10.815 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 85 91.389 -13.115 7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 85 91.028 -13.175 8.752 1.00 0.00 H new ATOM 1225 N LYS A 86 85.070 -10.772 5.358 1.00 0.00 N ATOM 1226 CA LYS A 86 83.588 -10.983 5.226 1.00 0.00 C ATOM 1227 C LYS A 86 82.869 -9.661 4.942 1.00 0.00 C ATOM 1228 O LYS A 86 83.130 -8.655 5.569 1.00 0.00 O ATOM 1229 CB LYS A 86 83.067 -11.558 6.542 1.00 0.00 C ATOM 1230 CG LYS A 86 83.734 -12.910 6.806 1.00 0.00 C ATOM 1231 CD LYS A 86 83.212 -13.487 8.124 1.00 0.00 C ATOM 1232 CE LYS A 86 83.875 -14.840 8.397 1.00 0.00 C ATOM 1233 NZ LYS A 86 85.237 -14.623 8.965 1.00 0.00 N ATOM 0 H LYS A 86 85.353 -10.211 6.162 1.00 0.00 H new ATOM 0 HA LYS A 86 83.397 -11.664 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.278 -10.870 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.984 -11.677 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.524 -13.598 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.816 -12.791 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 86 83.422 -12.797 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.129 -13.605 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 86 83.268 -15.420 9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 86 83.942 -15.416 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 85.686 -15.542 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 85.814 -14.086 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 85.161 -14.089 9.854 1.00 0.00 H new ATOM 1247 N TYR A 87 81.946 -9.668 4.004 1.00 0.00 N ATOM 1248 CA TYR A 87 81.169 -8.430 3.665 1.00 0.00 C ATOM 1249 C TYR A 87 79.664 -8.703 3.833 1.00 0.00 C ATOM 1250 O TYR A 87 79.150 -9.693 3.353 1.00 0.00 O ATOM 1251 CB TYR A 87 81.464 -8.034 2.215 1.00 0.00 C ATOM 1252 CG TYR A 87 80.556 -6.901 1.806 1.00 0.00 C ATOM 1253 CD1 TYR A 87 80.941 -5.575 2.038 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.325 -7.179 1.201 1.00 0.00 C ATOM 1255 CE1 TYR A 87 80.093 -4.527 1.662 1.00 0.00 C ATOM 1256 CE2 TYR A 87 78.477 -6.130 0.826 1.00 0.00 C ATOM 1257 CZ TYR A 87 78.862 -4.804 1.056 1.00 0.00 C ATOM 1258 OH TYR A 87 78.029 -3.769 0.686 1.00 0.00 O ATOM 0 H TYR A 87 81.696 -10.489 3.453 1.00 0.00 H new ATOM 0 HA TYR A 87 81.461 -7.619 4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.507 -7.732 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.315 -8.889 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 87 81.890 -5.361 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.029 -8.202 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.389 -3.504 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 87 77.527 -6.344 0.360 1.00 0.00 H new ATOM 0 HH TYR A 87 78.480 -2.914 0.844 1.00 0.00 H new ATOM 1268 N ARG A 88 78.955 -7.828 4.511 1.00 0.00 N ATOM 1269 CA ARG A 88 77.478 -8.035 4.707 1.00 0.00 C ATOM 1270 C ARG A 88 76.722 -6.708 4.552 1.00 0.00 C ATOM 1271 O ARG A 88 77.080 -5.703 5.135 1.00 0.00 O ATOM 1272 CB ARG A 88 77.229 -8.602 6.105 1.00 0.00 C ATOM 1273 CG ARG A 88 77.754 -7.624 7.154 1.00 0.00 C ATOM 1274 CD ARG A 88 77.792 -8.317 8.514 1.00 0.00 C ATOM 1275 NE ARG A 88 78.795 -9.417 8.478 1.00 0.00 N ATOM 1276 CZ ARG A 88 78.744 -10.373 9.363 1.00 0.00 C ATOM 1277 NH1 ARG A 88 77.802 -10.375 10.265 1.00 0.00 N ATOM 1278 NH2 ARG A 88 79.631 -11.330 9.342 1.00 0.00 N ATOM 0 H ARG A 88 79.332 -6.981 4.937 1.00 0.00 H new ATOM 0 HA ARG A 88 77.117 -8.733 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 88 76.163 -8.774 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 88 77.725 -9.567 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 88 78.751 -7.280 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 88 77.114 -6.743 7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.050 -7.600 9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 88 76.807 -8.715 8.760 1.00 0.00 H new ATOM 0 HE ARG A 88 79.521 -9.423 7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 88 77.106 -9.629 10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 88 77.761 -11.122 10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 88 80.364 -11.330 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 88 79.591 -12.078 10.035 1.00 0.00 H new ATOM 1292 N ALA A 89 75.676 -6.708 3.760 1.00 0.00 N ATOM 1293 CA ALA A 89 74.868 -5.464 3.542 1.00 0.00 C ATOM 1294 C ALA A 89 73.381 -5.738 3.820 1.00 0.00 C ATOM 1295 O ALA A 89 72.825 -6.709 3.348 1.00 0.00 O ATOM 1296 CB ALA A 89 75.036 -5.006 2.092 1.00 0.00 C ATOM 0 H ALA A 89 75.344 -7.526 3.249 1.00 0.00 H new ATOM 0 HA ALA A 89 75.217 -4.688 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.451 -4.101 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.088 -4.799 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.689 -5.791 1.420 1.00 0.00 H new ATOM 1302 N LEU A 90 72.729 -4.866 4.560 1.00 0.00 N ATOM 1303 CA LEU A 90 71.265 -5.032 4.855 1.00 0.00 C ATOM 1304 C LEU A 90 70.528 -3.809 4.310 1.00 0.00 C ATOM 1305 O LEU A 90 70.926 -2.684 4.540 1.00 0.00 O ATOM 1306 CB LEU A 90 71.044 -5.131 6.367 1.00 0.00 C ATOM 1307 CG LEU A 90 69.545 -5.254 6.692 1.00 0.00 C ATOM 1308 CD1 LEU A 90 68.962 -6.525 6.052 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.371 -5.321 8.214 1.00 0.00 C ATOM 0 H LEU A 90 73.154 -4.038 4.976 1.00 0.00 H new ATOM 0 HA LEU A 90 70.891 -5.943 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.579 -5.995 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.456 -4.250 6.858 1.00 0.00 H new ATOM 0 HG LEU A 90 69.017 -4.388 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 90 67.901 -6.599 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.088 -6.479 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.483 -7.400 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.312 -5.408 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 90 69.905 -6.188 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.773 -4.414 8.666 1.00 0.00 H new ATOM 1321 N THR A 91 69.466 -4.022 3.579 1.00 0.00 N ATOM 1322 CA THR A 91 68.693 -2.872 2.992 1.00 0.00 C ATOM 1323 C THR A 91 67.192 -3.009 3.279 1.00 0.00 C ATOM 1324 O THR A 91 66.592 -4.041 3.053 1.00 0.00 O ATOM 1325 CB THR A 91 68.910 -2.848 1.477 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.729 -4.157 0.954 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.325 -2.359 1.162 1.00 0.00 C ATOM 0 H THR A 91 69.094 -4.946 3.358 1.00 0.00 H new ATOM 0 HA THR A 91 69.049 -1.948 3.447 1.00 0.00 H new ATOM 0 HB THR A 91 68.189 -2.170 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.035 -4.621 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.473 -2.344 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.460 -1.353 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.052 -3.030 1.619 1.00 0.00 H new ATOM 1335 N GLU A 92 66.588 -1.949 3.762 1.00 0.00 N ATOM 1336 CA GLU A 92 65.113 -1.972 4.059 1.00 0.00 C ATOM 1337 C GLU A 92 64.437 -0.707 3.520 1.00 0.00 C ATOM 1338 O GLU A 92 65.049 0.334 3.401 1.00 0.00 O ATOM 1339 CB GLU A 92 64.879 -2.089 5.571 1.00 0.00 C ATOM 1340 CG GLU A 92 65.574 -0.945 6.309 1.00 0.00 C ATOM 1341 CD GLU A 92 67.089 -1.161 6.274 1.00 0.00 C ATOM 1342 OE1 GLU A 92 67.501 -2.293 6.080 1.00 0.00 O ATOM 1343 OE2 GLU A 92 67.811 -0.193 6.444 1.00 0.00 O ATOM 0 H GLU A 92 67.052 -1.064 3.965 1.00 0.00 H new ATOM 0 HA GLU A 92 64.675 -2.839 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 92 63.810 -2.070 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.258 -3.046 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 92 65.321 0.008 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 92 65.226 -0.899 7.341 1.00 0.00 H new ATOM 1350 N TRP A 93 63.166 -0.791 3.213 1.00 0.00 N ATOM 1351 CA TRP A 93 62.433 0.404 2.703 1.00 0.00 C ATOM 1352 C TRP A 93 62.278 1.407 3.853 1.00 0.00 C ATOM 1353 O TRP A 93 61.994 1.033 4.973 1.00 0.00 O ATOM 1354 CB TRP A 93 61.039 -0.023 2.214 1.00 0.00 C ATOM 1355 CG TRP A 93 61.130 -0.659 0.858 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.583 -1.909 0.606 1.00 0.00 C ATOM 1357 CD2 TRP A 93 60.741 -0.099 -0.429 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.504 -2.147 -0.758 1.00 0.00 N ATOM 1359 CE2 TRP A 93 60.992 -1.058 -1.437 1.00 0.00 C ATOM 1360 CE3 TRP A 93 60.204 1.140 -0.813 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 60.716 -0.794 -2.784 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 59.927 1.410 -2.163 1.00 0.00 C ATOM 1363 CH2 TRP A 93 60.183 0.445 -3.146 1.00 0.00 C ATOM 0 H TRP A 93 62.605 -1.639 3.295 1.00 0.00 H new ATOM 0 HA TRP A 93 62.983 0.857 1.878 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.598 -0.724 2.922 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.380 0.844 2.172 1.00 0.00 H new ATOM 0 HD1 TRP A 93 61.946 -2.607 1.346 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.789 -3.019 -1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 93 60.002 1.892 -0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 60.914 -1.543 -3.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 59.514 2.367 -2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 93 59.968 0.659 -4.183 1.00 0.00 H new ATOM 1374 N VAL A 94 62.455 2.679 3.580 1.00 0.00 N ATOM 1375 CA VAL A 94 62.312 3.719 4.651 1.00 0.00 C ATOM 1376 C VAL A 94 61.051 4.541 4.378 1.00 0.00 C ATOM 1377 O VAL A 94 60.928 5.184 3.348 1.00 0.00 O ATOM 1378 CB VAL A 94 63.532 4.644 4.624 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.433 5.667 5.763 1.00 0.00 C ATOM 1380 CG2 VAL A 94 64.806 3.815 4.798 1.00 0.00 C ATOM 0 H VAL A 94 62.693 3.043 2.658 1.00 0.00 H new ATOM 0 HA VAL A 94 62.239 3.239 5.627 1.00 0.00 H new ATOM 0 HB VAL A 94 63.563 5.168 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.303 6.323 5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.527 6.261 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.398 5.145 6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.674 4.474 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 94 64.771 3.289 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 94 64.882 3.090 3.987 1.00 0.00 H new ATOM 1390 N GLY A 95 60.122 4.532 5.301 1.00 0.00 N ATOM 1391 CA GLY A 95 58.862 5.307 5.115 1.00 0.00 C ATOM 1392 C GLY A 95 57.984 5.160 6.359 1.00 0.00 C ATOM 1393 O GLY A 95 58.388 4.588 7.352 1.00 0.00 O ATOM 0 H GLY A 95 60.185 4.017 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.092 6.358 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.328 4.948 4.235 1.00 0.00 H new ATOM 1397 N SER A 96 56.780 5.665 6.315 1.00 0.00 N ATOM 1398 CA SER A 96 55.882 5.543 7.497 1.00 0.00 C ATOM 1399 C SER A 96 55.459 4.082 7.651 1.00 0.00 C ATOM 1400 O SER A 96 55.360 3.352 6.685 1.00 0.00 O ATOM 1401 CB SER A 96 54.640 6.412 7.288 1.00 0.00 C ATOM 1402 OG SER A 96 53.804 5.809 6.307 1.00 0.00 O ATOM 0 H SER A 96 56.382 6.155 5.514 1.00 0.00 H new ATOM 0 HA SER A 96 56.407 5.874 8.393 1.00 0.00 H new ATOM 0 HB2 SER A 96 54.097 6.523 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 96 54.932 7.413 6.969 1.00 0.00 H new ATOM 0 HG SER A 96 53.007 6.362 6.172 1.00 0.00 H new ATOM 1408 N ARG A 97 55.205 3.644 8.853 1.00 0.00 N ATOM 1409 CA ARG A 97 54.785 2.227 9.054 1.00 0.00 C ATOM 1410 C ARG A 97 53.266 2.125 8.876 1.00 0.00 C ATOM 1411 O ARG A 97 52.509 2.875 9.460 1.00 0.00 O ATOM 1412 CB ARG A 97 55.176 1.773 10.468 1.00 0.00 C ATOM 1413 CG ARG A 97 54.897 0.269 10.649 1.00 0.00 C ATOM 1414 CD ARG A 97 56.020 -0.569 10.020 1.00 0.00 C ATOM 1415 NE ARG A 97 55.799 -2.006 10.352 1.00 0.00 N ATOM 1416 CZ ARG A 97 56.188 -2.484 11.503 1.00 0.00 C ATOM 1417 NH1 ARG A 97 56.800 -1.713 12.358 1.00 0.00 N ATOM 1418 NH2 ARG A 97 55.968 -3.736 11.795 1.00 0.00 N ATOM 0 H ARG A 97 55.270 4.204 9.703 1.00 0.00 H new ATOM 0 HA ARG A 97 55.280 1.587 8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 97 56.233 1.976 10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 97 54.615 2.344 11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 97 54.812 0.035 11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 97 53.943 0.013 10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 97 56.033 -0.430 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 97 56.989 -0.241 10.395 1.00 0.00 H new ATOM 0 HE ARG A 97 55.342 -2.618 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 97 56.975 -0.735 12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 97 57.103 -2.088 13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 97 55.493 -4.340 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 97 56.271 -4.111 12.694 1.00 0.00 H new ATOM 1432 N SER A 98 52.815 1.196 8.072 1.00 0.00 N ATOM 1433 CA SER A 98 51.347 1.035 7.848 1.00 0.00 C ATOM 1434 C SER A 98 51.027 -0.449 7.660 1.00 0.00 C ATOM 1435 O SER A 98 50.723 -0.833 6.542 1.00 0.00 O ATOM 1436 CB SER A 98 50.937 1.805 6.593 1.00 0.00 C ATOM 1437 OG SER A 98 51.805 1.455 5.525 1.00 0.00 O ATOM 0 H SER A 98 53.403 0.539 7.559 1.00 0.00 H new ATOM 0 HA SER A 98 50.800 1.423 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 98 49.905 1.572 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 98 50.984 2.878 6.779 1.00 0.00 H new ATOM 0 HG SER A 98 51.772 0.486 5.380 1.00 0.00 H new TER 1443 SER A 98