USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 633 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 97 ASN : amide:sc= 0 X(o=-0.31,f=0.12) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.314 X(o=-0.31,f=0.12) USER MOD Set 2.1: A 92 LYS NZ :NH3+ -115:sc= -6.2! (180deg=-8.52!) USER MOD Set 2.2: A 93 GLN :FLIP amide:sc=-0.00634 F(o=-7.9,f=-6.2) USER MOD Set 3.1: A 49 GLN : amide:sc= -2.87 K(o=-2.1,f=-3.2!) USER MOD Set 3.2: A 90 SER OG : rot 72:sc= 0.781 USER MOD Set 4.1: A 51 ASN : amide:sc= -0.474 X(o=-1.5,f=-1.1) USER MOD Set 4.2: A 88 LYS NZ :NH3+ -114:sc= -1.02 (180deg=-1.79) USER MOD Set 5.1: A 18 SER OG : rot 180:sc= 0.00338 USER MOD Set 5.2: A 53 SER OG : rot 180:sc= 0.0485 USER MOD Set 6.1: A 47 GLN : amide:sc= 0.911 K(o=0.78,f=-4.7!) USER MOD Set 6.2: A 48 ASN : amide:sc= -0.127 X(o=0.78,f=0.64) USER MOD Set 7.1: A 1 ALA N :NH3+ -175:sc= 1.16 (180deg=0) USER MOD Set 7.2: A 45 TYR OH : rot 165:sc= 0.376! USER MOD Set 8.1: A 9 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD Set 8.2: A 28 SER OG : rot 160:sc= 0 USER MOD Set 9.1: A 20 THR OG1 : rot -139:sc= -0.506 USER MOD Set 9.2: A 34 GLN : amide:sc= -1.5 K(o=-2,f=-6.2!) USER MOD Set10.1: A 15 ASN :FLIP amide:sc= 0 X(o=-0.41,f=-0.0043) USER MOD Set10.2: A 16 ASN :FLIP amide:sc=-0.00435 F(o=-4.5,f=-0.0043) USER MOD Set11.1: A 7 GLN : amide:sc= 0 K(o=0.4,f=-1.6!) USER MOD Set11.2: A 8 SER OG : rot 91:sc= 0.402 USER MOD Single : A 2 MET CE :methyl -147:sc= -2.55 (180deg=-4.51!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.461 K(o=0.46,f=-2.8!) USER MOD Single : A 19 SER OG : rot -50:sc= 0.213 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -33:sc= 0.576 USER MOD Single : A 30 GLN : amide:sc= -2.78 K(o=-2.8,f=-3.4!) USER MOD Single : A 35 ASN : amide:sc= -3.98 K(o=-4,f=-5.3!) USER MOD Single : A 37 GLN : amide:sc= -1.93 X(o=-1.9,f=-2.3!) USER MOD Single : A 43 TYR OH : rot 99:sc= 1.16 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 57 ASN : amide:sc= 0.0526 K(o=0.053,f=-0.47) USER MOD Single : A 59 SER OG : rot 121:sc= 1 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.42! C(o=-2.5!,f=-1.4!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.883 F(o=-1.4,f=-0.88) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 112:sc= 0.262 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 81 ASN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.87 F(o=-2.9,f=-1.9) USER MOD Single : A 89 ASN : amide:sc= -4.38 K(o=-4.4,f=-7.8!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc=-0.00769 F(o=-0.53,f=-0.0077) USER MOD Single : A 99 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.4!) USER MOD Single : A 100 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.070 6.752 -5.152 1.00 0.00 N ATOM 2 CA ALA A 1 5.882 6.177 -5.837 1.00 0.00 C ATOM 3 C ALA A 1 4.730 7.177 -5.861 1.00 0.00 C ATOM 4 O ALA A 1 4.857 8.293 -5.355 1.00 0.00 O ATOM 5 CB ALA A 1 5.460 4.886 -5.156 1.00 0.00 C ATOM 0 H1 ALA A 1 7.867 6.087 -5.222 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.329 7.652 -5.604 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.846 6.919 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 1 6.152 5.955 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.589 4.474 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.279 4.168 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.209 5.089 -4.115 1.00 0.00 H new ATOM 13 N MET A 2 3.607 6.779 -6.457 1.00 0.00 N ATOM 14 CA MET A 2 2.441 7.660 -6.547 1.00 0.00 C ATOM 15 C MET A 2 1.202 6.920 -7.050 1.00 0.00 C ATOM 16 O MET A 2 0.997 6.777 -8.255 1.00 0.00 O ATOM 17 CB MET A 2 2.736 8.858 -7.463 1.00 0.00 C ATOM 18 CG MET A 2 3.791 8.591 -8.530 1.00 0.00 C ATOM 19 SD MET A 2 3.168 7.605 -9.905 1.00 0.00 S ATOM 20 CE MET A 2 3.590 5.954 -9.350 1.00 0.00 C ATOM 0 H MET A 2 3.479 5.861 -6.882 1.00 0.00 H new ATOM 0 HA MET A 2 2.234 8.018 -5.538 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.811 9.162 -7.953 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.062 9.697 -6.849 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.163 9.542 -8.911 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.638 8.077 -8.075 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.831 5.331 -10.211 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.452 6.003 -8.685 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.744 5.522 -8.815 1.00 0.00 H new ATOM 30 N ALA A 3 0.371 6.461 -6.120 1.00 0.00 N ATOM 31 CA ALA A 3 -0.852 5.747 -6.472 1.00 0.00 C ATOM 32 C ALA A 3 -1.867 5.809 -5.337 1.00 0.00 C ATOM 33 O ALA A 3 -2.646 4.878 -5.132 1.00 0.00 O ATOM 34 CB ALA A 3 -0.537 4.304 -6.827 1.00 0.00 C ATOM 0 H ALA A 3 0.522 6.570 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.291 6.233 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.459 3.784 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.146 4.279 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.072 3.812 -5.973 1.00 0.00 H new ATOM 40 N CYS A 4 -1.846 6.910 -4.597 1.00 0.00 N ATOM 41 CA CYS A 4 -2.755 7.099 -3.472 1.00 0.00 C ATOM 42 C CYS A 4 -4.191 7.281 -3.938 1.00 0.00 C ATOM 43 O CYS A 4 -4.448 7.582 -5.104 1.00 0.00 O ATOM 44 CB CYS A 4 -2.328 8.320 -2.656 1.00 0.00 C ATOM 45 SG CYS A 4 -2.034 7.974 -0.894 1.00 0.00 S ATOM 0 H CYS A 4 -1.207 7.689 -4.756 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.707 6.203 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.418 8.733 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.098 9.087 -2.741 1.00 0.00 H new ATOM 50 N TRP A 5 -5.122 7.124 -3.006 1.00 0.00 N ATOM 51 CA TRP A 5 -6.537 7.298 -3.297 1.00 0.00 C ATOM 52 C TRP A 5 -6.959 8.729 -2.972 1.00 0.00 C ATOM 53 O TRP A 5 -7.966 9.224 -3.478 1.00 0.00 O ATOM 54 CB TRP A 5 -7.381 6.301 -2.498 1.00 0.00 C ATOM 55 CG TRP A 5 -6.968 6.187 -1.064 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.247 5.181 -0.498 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.252 7.114 -0.017 1.00 0.00 C ATOM 58 NE1 TRP A 5 -6.058 5.427 0.841 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.670 6.611 1.161 1.00 0.00 C ATOM 60 CE3 TRP A 5 -7.943 8.321 0.033 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.760 7.281 2.378 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.035 8.986 1.240 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.446 8.466 2.399 1.00 0.00 C ATOM 0 H TRP A 5 -4.920 6.875 -2.038 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.701 7.109 -4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.427 6.603 -2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.312 5.320 -2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.877 4.314 -1.025 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.547 4.828 1.489 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.399 8.730 -0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.306 6.881 3.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.570 9.923 1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.534 9.010 3.328 1.00 0.00 H new ATOM 74 N ALA A 6 -6.166 9.391 -2.126 1.00 0.00 N ATOM 75 CA ALA A 6 -6.437 10.768 -1.736 1.00 0.00 C ATOM 76 C ALA A 6 -6.304 11.702 -2.934 1.00 0.00 C ATOM 77 O ALA A 6 -6.991 12.720 -3.022 1.00 0.00 O ATOM 78 CB ALA A 6 -5.493 11.195 -0.619 1.00 0.00 C ATOM 0 H ALA A 6 -5.330 8.991 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.461 10.828 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.706 12.226 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.634 10.546 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.462 11.119 -0.965 1.00 0.00 H new ATOM 84 N GLN A 7 -5.414 11.345 -3.857 1.00 0.00 N ATOM 85 CA GLN A 7 -5.187 12.145 -5.055 1.00 0.00 C ATOM 86 C GLN A 7 -6.471 12.281 -5.867 1.00 0.00 C ATOM 87 O GLN A 7 -6.672 13.274 -6.566 1.00 0.00 O ATOM 88 CB GLN A 7 -4.087 11.516 -5.915 1.00 0.00 C ATOM 89 CG GLN A 7 -4.335 10.053 -6.247 1.00 0.00 C ATOM 90 CD GLN A 7 -4.755 9.845 -7.689 1.00 0.00 C ATOM 91 OE1 GLN A 7 -5.944 9.860 -8.009 1.00 0.00 O ATOM 92 NE2 GLN A 7 -3.779 9.647 -8.567 1.00 0.00 N ATOM 0 H GLN A 7 -4.838 10.505 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.868 13.140 -4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.996 12.080 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.134 11.605 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.428 9.481 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.109 9.661 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.807 9.643 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.001 9.499 -9.552 1.00 0.00 H new ATOM 101 N SER A 8 -7.339 11.280 -5.765 1.00 0.00 N ATOM 102 CA SER A 8 -8.608 11.291 -6.483 1.00 0.00 C ATOM 103 C SER A 8 -9.400 12.557 -6.168 1.00 0.00 C ATOM 104 O SER A 8 -10.239 12.991 -6.958 1.00 0.00 O ATOM 105 CB SER A 8 -9.436 10.058 -6.117 1.00 0.00 C ATOM 106 OG SER A 8 -8.680 8.870 -6.276 1.00 0.00 O ATOM 0 H SER A 8 -7.187 10.450 -5.192 1.00 0.00 H new ATOM 0 HA SER A 8 -8.392 11.273 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.779 10.139 -5.085 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.325 10.014 -6.746 1.00 0.00 H new ATOM 0 HG SER A 8 -8.225 8.657 -5.435 1.00 0.00 H new ATOM 112 N GLN A 9 -9.127 13.144 -5.007 1.00 0.00 N ATOM 113 CA GLN A 9 -9.811 14.358 -4.581 1.00 0.00 C ATOM 114 C GLN A 9 -8.902 15.580 -4.709 1.00 0.00 C ATOM 115 O GLN A 9 -9.372 16.717 -4.686 1.00 0.00 O ATOM 116 CB GLN A 9 -10.292 14.212 -3.136 1.00 0.00 C ATOM 117 CG GLN A 9 -10.968 12.880 -2.852 1.00 0.00 C ATOM 118 CD GLN A 9 -10.552 12.284 -1.522 1.00 0.00 C ATOM 119 OE1 GLN A 9 -9.495 11.667 -1.410 1.00 0.00 O ATOM 120 NE2 GLN A 9 -11.388 12.464 -0.507 1.00 0.00 N ATOM 0 H GLN A 9 -8.435 12.797 -4.343 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.672 14.506 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.441 14.329 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.989 15.019 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.049 13.017 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.728 12.178 -3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.255 12.983 -0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.164 12.083 0.412 1.00 0.00 H new ATOM 129 N GLY A 10 -7.599 15.340 -4.846 1.00 0.00 N ATOM 130 CA GLY A 10 -6.655 16.436 -4.977 1.00 0.00 C ATOM 131 C GLY A 10 -5.617 16.457 -3.870 1.00 0.00 C ATOM 132 O GLY A 10 -4.948 17.469 -3.659 1.00 0.00 O ATOM 0 H GLY A 10 -7.182 14.409 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.150 16.361 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.200 17.380 -4.975 1.00 0.00 H new ATOM 136 N TYR A 11 -5.478 15.341 -3.162 1.00 0.00 N ATOM 137 CA TYR A 11 -4.511 15.239 -2.074 1.00 0.00 C ATOM 138 C TYR A 11 -3.341 14.347 -2.471 1.00 0.00 C ATOM 139 O TYR A 11 -3.536 13.254 -3.001 1.00 0.00 O ATOM 140 CB TYR A 11 -5.178 14.664 -0.823 1.00 0.00 C ATOM 141 CG TYR A 11 -5.780 15.701 0.099 1.00 0.00 C ATOM 142 CD1 TYR A 11 -7.125 16.033 0.008 1.00 0.00 C ATOM 143 CD2 TYR A 11 -5.012 16.335 1.068 1.00 0.00 C ATOM 144 CE1 TYR A 11 -7.688 16.966 0.854 1.00 0.00 C ATOM 145 CE2 TYR A 11 -5.568 17.270 1.918 1.00 0.00 C ATOM 146 CZ TYR A 11 -6.907 17.582 1.808 1.00 0.00 C ATOM 147 OH TYR A 11 -7.464 18.513 2.653 1.00 0.00 O ATOM 0 H TYR A 11 -6.023 14.494 -3.322 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.139 16.241 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.961 13.971 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.440 14.086 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.741 15.553 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.963 16.092 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.736 17.213 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.957 17.755 2.665 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.778 18.850 3.266 1.00 0.00 H new ATOM 157 N ASN A 12 -2.127 14.807 -2.195 1.00 0.00 N ATOM 158 CA ASN A 12 -0.936 14.029 -2.511 1.00 0.00 C ATOM 159 C ASN A 12 -0.728 12.962 -1.445 1.00 0.00 C ATOM 160 O ASN A 12 -1.070 13.169 -0.283 1.00 0.00 O ATOM 161 CB ASN A 12 0.293 14.937 -2.594 1.00 0.00 C ATOM 162 CG ASN A 12 0.426 15.842 -1.386 1.00 0.00 C ATOM 163 OD1 ASN A 12 -0.372 16.758 -1.190 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.441 15.591 -0.568 1.00 0.00 N ATOM 0 H ASN A 12 -1.942 15.709 -1.756 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.074 13.550 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.189 14.323 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.231 15.546 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.583 16.168 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.079 14.821 -0.768 1.00 0.00 H new ATOM 171 N CYS A 13 -0.183 11.815 -1.837 1.00 0.00 N ATOM 172 CA CYS A 13 0.039 10.734 -0.886 1.00 0.00 C ATOM 173 C CYS A 13 1.047 11.132 0.178 1.00 0.00 C ATOM 174 O CYS A 13 1.795 12.097 0.019 1.00 0.00 O ATOM 175 CB CYS A 13 0.514 9.466 -1.586 1.00 0.00 C ATOM 176 SG CYS A 13 -0.012 7.935 -0.746 1.00 0.00 S ATOM 0 H CYS A 13 0.109 11.612 -2.793 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.919 10.533 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.134 9.460 -2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.602 9.481 -1.650 1.00 0.00 H new ATOM 181 N CYS A 14 1.054 10.376 1.265 1.00 0.00 N ATOM 182 CA CYS A 14 1.963 10.636 2.372 1.00 0.00 C ATOM 183 C CYS A 14 3.168 9.703 2.325 1.00 0.00 C ATOM 184 O CYS A 14 3.138 8.614 2.897 1.00 0.00 O ATOM 185 CB CYS A 14 1.221 10.466 3.702 1.00 0.00 C ATOM 186 SG CYS A 14 1.339 11.893 4.832 1.00 0.00 S ATOM 0 H CYS A 14 0.438 9.575 1.405 1.00 0.00 H new ATOM 0 HA CYS A 14 2.325 11.661 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.169 10.272 3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.612 9.585 4.210 1.00 0.00 H new ATOM 191 N ASN A 15 4.231 10.146 1.647 1.00 0.00 N ATOM 192 CA ASN A 15 5.463 9.370 1.526 1.00 0.00 C ATOM 193 C ASN A 15 5.718 8.563 2.797 1.00 0.00 C ATOM 194 O ASN A 15 5.812 9.124 3.885 1.00 0.00 O ATOM 195 CB ASN A 15 6.635 10.319 1.253 1.00 0.00 C ATOM 196 CG ASN A 15 7.954 9.596 1.088 1.00 0.00 C ATOM 197 OD1 ASN A 15 8.870 9.823 2.023 1.00 0.00 O flip ATOM 198 ND2 ASN A 15 8.150 8.843 0.134 1.00 0.00 N flip ATOM 0 H ASN A 15 4.260 11.047 1.170 1.00 0.00 H new ATOM 0 HA ASN A 15 5.363 8.670 0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.427 10.895 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.717 11.031 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.417 8.698 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.045 8.364 0.038 1.00 0.00 H new ATOM 205 N ASN A 16 5.793 7.242 2.650 1.00 0.00 N ATOM 206 CA ASN A 16 6.000 6.345 3.786 1.00 0.00 C ATOM 207 C ASN A 16 4.738 6.279 4.642 1.00 0.00 C ATOM 208 O ASN A 16 4.782 6.501 5.852 1.00 0.00 O ATOM 209 CB ASN A 16 7.192 6.788 4.644 1.00 0.00 C ATOM 210 CG ASN A 16 8.520 6.521 3.969 1.00 0.00 C ATOM 211 OD1 ASN A 16 8.719 7.128 2.809 1.00 0.00 O flip ATOM 212 ND2 ASN A 16 9.356 5.778 4.484 1.00 0.00 N flip ATOM 0 H ASN A 16 5.713 6.767 1.751 1.00 0.00 H new ATOM 0 HA ASN A 16 6.221 5.354 3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.105 7.853 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.162 6.265 5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.159 5.332 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.246 5.609 4.015 1.00 0.00 H new ATOM 219 N PRO A 17 3.588 5.966 4.016 1.00 0.00 N ATOM 220 CA PRO A 17 2.307 5.866 4.721 1.00 0.00 C ATOM 221 C PRO A 17 2.361 4.864 5.868 1.00 0.00 C ATOM 222 O PRO A 17 1.547 4.915 6.790 1.00 0.00 O ATOM 223 CB PRO A 17 1.322 5.399 3.640 1.00 0.00 C ATOM 224 CG PRO A 17 2.169 4.902 2.516 1.00 0.00 C ATOM 225 CD PRO A 17 3.449 5.680 2.582 1.00 0.00 C ATOM 0 HA PRO A 17 2.023 6.813 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.670 4.612 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.679 6.217 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.358 3.833 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.671 5.052 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.292 5.103 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.396 6.595 1.991 1.00 0.00 H new ATOM 233 N SER A 18 3.335 3.961 5.810 1.00 0.00 N ATOM 234 CA SER A 18 3.508 2.954 6.851 1.00 0.00 C ATOM 235 C SER A 18 4.195 3.553 8.075 1.00 0.00 C ATOM 236 O SER A 18 4.373 2.881 9.091 1.00 0.00 O ATOM 237 CB SER A 18 4.331 1.779 6.320 1.00 0.00 C ATOM 238 OG SER A 18 4.109 1.585 4.934 1.00 0.00 O ATOM 0 H SER A 18 4.016 3.906 5.053 1.00 0.00 H new ATOM 0 HA SER A 18 2.521 2.597 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.390 1.963 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.068 0.872 6.864 1.00 0.00 H new ATOM 0 HG SER A 18 4.648 0.829 4.619 1.00 0.00 H new ATOM 244 N SER A 19 4.581 4.822 7.970 1.00 0.00 N ATOM 245 CA SER A 19 5.249 5.514 9.060 1.00 0.00 C ATOM 246 C SER A 19 4.671 6.914 9.232 1.00 0.00 C ATOM 247 O SER A 19 5.351 7.825 9.704 1.00 0.00 O ATOM 248 CB SER A 19 6.752 5.597 8.782 1.00 0.00 C ATOM 249 OG SER A 19 7.471 5.931 9.957 1.00 0.00 O ATOM 0 H SER A 19 4.440 5.391 7.135 1.00 0.00 H new ATOM 0 HA SER A 19 5.088 4.955 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.106 4.642 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.942 6.344 8.011 1.00 0.00 H new ATOM 0 HG SER A 19 7.064 6.717 10.377 1.00 0.00 H new ATOM 255 N THR A 20 3.411 7.079 8.835 1.00 0.00 N ATOM 256 CA THR A 20 2.742 8.360 8.931 1.00 0.00 C ATOM 257 C THR A 20 1.729 8.364 10.073 1.00 0.00 C ATOM 258 O THR A 20 1.048 7.369 10.318 1.00 0.00 O ATOM 259 CB THR A 20 2.044 8.666 7.603 1.00 0.00 C ATOM 260 OG1 THR A 20 2.967 9.162 6.650 1.00 0.00 O ATOM 261 CG2 THR A 20 0.932 9.674 7.729 1.00 0.00 C ATOM 0 H THR A 20 2.836 6.333 8.443 1.00 0.00 H new ATOM 0 HA THR A 20 3.484 9.130 9.140 1.00 0.00 H new ATOM 0 HB THR A 20 1.616 7.717 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.555 9.895 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.482 9.843 6.751 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.175 9.297 8.417 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.333 10.613 8.111 1.00 0.00 H new ATOM 269 N LYS A 21 1.626 9.498 10.757 1.00 0.00 N ATOM 270 CA LYS A 21 0.685 9.642 11.858 1.00 0.00 C ATOM 271 C LYS A 21 -0.653 10.155 11.340 1.00 0.00 C ATOM 272 O LYS A 21 -0.744 11.275 10.835 1.00 0.00 O ATOM 273 CB LYS A 21 1.241 10.598 12.917 1.00 0.00 C ATOM 274 CG LYS A 21 0.257 10.913 14.033 1.00 0.00 C ATOM 275 CD LYS A 21 0.083 9.734 14.975 1.00 0.00 C ATOM 276 CE LYS A 21 -0.006 10.187 16.424 1.00 0.00 C ATOM 277 NZ LYS A 21 -0.666 9.167 17.286 1.00 0.00 N ATOM 0 H LYS A 21 2.184 10.331 10.567 1.00 0.00 H new ATOM 0 HA LYS A 21 0.536 8.665 12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.141 10.162 13.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.538 11.528 12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.608 11.779 14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.708 11.181 13.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.820 9.184 14.708 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.921 9.047 14.858 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.996 10.389 16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.562 11.123 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.707 9.514 18.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.631 8.992 16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.121 8.282 17.255 1.00 0.00 H new ATOM 291 N VAL A 22 -1.690 9.336 11.467 1.00 0.00 N ATOM 292 CA VAL A 22 -3.007 9.708 11.017 1.00 0.00 C ATOM 293 C VAL A 22 -3.769 10.390 12.136 1.00 0.00 C ATOM 294 O VAL A 22 -4.370 9.735 12.987 1.00 0.00 O ATOM 295 CB VAL A 22 -3.796 8.476 10.545 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.109 8.897 9.908 1.00 0.00 C ATOM 297 CG2 VAL A 22 -2.967 7.638 9.581 1.00 0.00 C ATOM 0 H VAL A 22 -1.634 8.406 11.882 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.892 10.395 10.179 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.022 7.859 11.415 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.654 8.012 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.708 9.443 10.637 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.908 9.538 9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.546 6.772 9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.702 8.239 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.058 7.302 10.080 1.00 0.00 H new ATOM 307 N GLU A 23 -3.753 11.710 12.116 1.00 0.00 N ATOM 308 CA GLU A 23 -4.457 12.493 13.117 1.00 0.00 C ATOM 309 C GLU A 23 -5.874 12.779 12.645 1.00 0.00 C ATOM 310 O GLU A 23 -6.649 13.443 13.333 1.00 0.00 O ATOM 311 CB GLU A 23 -3.719 13.808 13.397 1.00 0.00 C ATOM 312 CG GLU A 23 -3.050 14.415 12.173 1.00 0.00 C ATOM 313 CD GLU A 23 -2.988 15.929 12.232 1.00 0.00 C ATOM 314 OE1 GLU A 23 -3.860 16.583 11.620 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.070 16.460 12.891 1.00 0.00 O ATOM 0 H GLU A 23 -3.259 12.264 11.416 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.495 11.919 14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.426 14.529 13.807 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.963 13.632 14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.039 14.017 12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.594 14.112 11.278 1.00 0.00 H new ATOM 322 N TYR A 24 -6.203 12.278 11.456 1.00 0.00 N ATOM 323 CA TYR A 24 -7.532 12.491 10.889 1.00 0.00 C ATOM 324 C TYR A 24 -8.101 11.215 10.277 1.00 0.00 C ATOM 325 O TYR A 24 -7.359 10.331 9.860 1.00 0.00 O ATOM 326 CB TYR A 24 -7.487 13.597 9.833 1.00 0.00 C ATOM 327 CG TYR A 24 -8.815 14.288 9.622 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.071 15.531 10.188 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.814 13.698 8.856 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.284 16.165 9.998 1.00 0.00 C ATOM 331 CE2 TYR A 24 -11.029 14.327 8.661 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.258 15.560 9.233 1.00 0.00 C ATOM 333 OH TYR A 24 -12.467 16.188 9.042 1.00 0.00 O ATOM 0 H TYR A 24 -5.574 11.727 10.872 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.189 12.792 11.705 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.744 14.338 10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.155 13.171 8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.310 16.009 10.786 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.638 12.732 8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.468 17.130 10.447 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.795 13.855 8.064 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.041 15.628 8.478 1.00 0.00 H new ATOM 343 N THR A 25 -9.425 11.137 10.210 1.00 0.00 N ATOM 344 CA THR A 25 -10.090 9.976 9.631 1.00 0.00 C ATOM 345 C THR A 25 -11.550 10.285 9.318 1.00 0.00 C ATOM 346 O THR A 25 -12.391 10.333 10.215 1.00 0.00 O ATOM 347 CB THR A 25 -10.007 8.776 10.571 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.677 8.577 11.018 1.00 0.00 O ATOM 349 CG2 THR A 25 -10.474 7.490 9.924 1.00 0.00 C ATOM 0 H THR A 25 -10.058 11.862 10.548 1.00 0.00 H new ATOM 0 HA THR A 25 -9.576 9.731 8.702 1.00 0.00 H new ATOM 0 HB THR A 25 -10.667 9.010 11.406 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.051 8.840 10.311 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.392 6.672 10.640 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.513 7.596 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.854 7.274 9.054 1.00 0.00 H new ATOM 357 N ASP A 26 -11.839 10.487 8.040 1.00 0.00 N ATOM 358 CA ASP A 26 -13.196 10.784 7.599 1.00 0.00 C ATOM 359 C ASP A 26 -13.786 9.583 6.864 1.00 0.00 C ATOM 360 O ASP A 26 -13.319 8.457 7.029 1.00 0.00 O ATOM 361 CB ASP A 26 -13.196 12.019 6.693 1.00 0.00 C ATOM 362 CG ASP A 26 -14.207 13.059 7.134 1.00 0.00 C ATOM 363 OD1 ASP A 26 -15.163 12.691 7.849 1.00 0.00 O ATOM 364 OD2 ASP A 26 -14.043 14.240 6.764 1.00 0.00 O ATOM 0 H ASP A 26 -11.151 10.451 7.288 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.814 10.993 8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.201 12.463 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.414 11.715 5.669 1.00 0.00 H new ATOM 369 N ALA A 27 -14.809 9.825 6.049 1.00 0.00 N ATOM 370 CA ALA A 27 -15.443 8.753 5.292 1.00 0.00 C ATOM 371 C ALA A 27 -14.679 8.456 4.004 1.00 0.00 C ATOM 372 O ALA A 27 -15.132 7.668 3.173 1.00 0.00 O ATOM 373 CB ALA A 27 -16.890 9.104 4.985 1.00 0.00 C ATOM 0 H ALA A 27 -15.214 10.749 5.897 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.424 7.853 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.349 8.293 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.435 9.249 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.925 10.021 4.397 1.00 0.00 H new ATOM 379 N SER A 28 -13.514 9.078 3.848 1.00 0.00 N ATOM 380 CA SER A 28 -12.684 8.865 2.671 1.00 0.00 C ATOM 381 C SER A 28 -11.524 7.939 3.013 1.00 0.00 C ATOM 382 O SER A 28 -10.986 7.251 2.146 1.00 0.00 O ATOM 383 CB SER A 28 -12.155 10.199 2.141 1.00 0.00 C ATOM 384 OG SER A 28 -13.190 10.953 1.534 1.00 0.00 O ATOM 0 H SER A 28 -13.124 9.735 4.524 1.00 0.00 H new ATOM 0 HA SER A 28 -13.292 8.401 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.716 10.771 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.361 10.017 1.417 1.00 0.00 H new ATOM 0 HG SER A 28 -12.927 11.896 1.494 1.00 0.00 H new ATOM 390 N GLY A 29 -11.152 7.924 4.290 1.00 0.00 N ATOM 391 CA GLY A 29 -10.067 7.078 4.739 1.00 0.00 C ATOM 392 C GLY A 29 -9.234 7.729 5.826 1.00 0.00 C ATOM 393 O GLY A 29 -9.763 8.438 6.683 1.00 0.00 O ATOM 0 H GLY A 29 -11.586 8.486 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.474 6.138 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.426 6.834 3.892 1.00 0.00 H new ATOM 397 N GLN A 30 -7.928 7.485 5.793 1.00 0.00 N ATOM 398 CA GLN A 30 -7.019 8.046 6.785 1.00 0.00 C ATOM 399 C GLN A 30 -6.191 9.183 6.191 1.00 0.00 C ATOM 400 O GLN A 30 -5.785 9.127 5.030 1.00 0.00 O ATOM 401 CB GLN A 30 -6.094 6.952 7.323 1.00 0.00 C ATOM 402 CG GLN A 30 -6.516 6.411 8.679 1.00 0.00 C ATOM 403 CD GLN A 30 -7.245 5.085 8.576 1.00 0.00 C ATOM 404 OE1 GLN A 30 -8.473 5.032 8.639 1.00 0.00 O ATOM 405 NE2 GLN A 30 -6.488 4.005 8.417 1.00 0.00 N ATOM 0 H GLN A 30 -7.475 6.902 5.089 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.615 8.451 7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.062 6.130 6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.082 7.349 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.634 6.289 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.161 7.139 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.473 4.096 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.922 3.085 8.342 1.00 0.00 H new ATOM 414 N TRP A 31 -5.936 10.209 6.999 1.00 0.00 N ATOM 415 CA TRP A 31 -5.147 11.353 6.555 1.00 0.00 C ATOM 416 C TRP A 31 -4.118 11.741 7.612 1.00 0.00 C ATOM 417 O TRP A 31 -4.286 11.449 8.796 1.00 0.00 O ATOM 418 CB TRP A 31 -6.048 12.553 6.251 1.00 0.00 C ATOM 419 CG TRP A 31 -7.251 12.209 5.428 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.403 11.620 5.863 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.422 12.442 4.027 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.281 11.472 4.816 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.701 11.969 3.678 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.618 13.005 3.033 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -9.193 12.044 2.377 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -7.106 13.077 1.743 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.383 12.601 1.425 1.00 0.00 C ATOM 0 H TRP A 31 -6.264 10.271 7.963 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.627 11.063 5.642 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.376 12.997 7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.465 13.311 5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.596 11.315 6.881 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.212 11.060 4.876 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.632 13.377 3.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -10.178 11.676 2.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.492 13.508 0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.737 12.675 0.407 1.00 0.00 H new ATOM 438 N GLY A 32 -3.056 12.403 7.174 1.00 0.00 N ATOM 439 CA GLY A 32 -2.013 12.828 8.083 1.00 0.00 C ATOM 440 C GLY A 32 -1.132 13.892 7.466 1.00 0.00 C ATOM 441 O GLY A 32 -1.311 14.254 6.304 1.00 0.00 O ATOM 0 H GLY A 32 -2.899 12.654 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.463 13.214 8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.404 11.969 8.365 1.00 0.00 H new ATOM 445 N VAL A 33 -0.181 14.396 8.239 1.00 0.00 N ATOM 446 CA VAL A 33 0.722 15.426 7.748 1.00 0.00 C ATOM 447 C VAL A 33 2.178 15.013 7.927 1.00 0.00 C ATOM 448 O VAL A 33 2.736 15.122 9.019 1.00 0.00 O ATOM 449 CB VAL A 33 0.477 16.770 8.464 1.00 0.00 C ATOM 450 CG1 VAL A 33 0.435 16.571 9.970 1.00 0.00 C ATOM 451 CG2 VAL A 33 1.536 17.795 8.078 1.00 0.00 C ATOM 0 H VAL A 33 -0.015 14.110 9.204 1.00 0.00 H new ATOM 0 HA VAL A 33 0.518 15.550 6.684 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.491 17.156 8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.261 17.530 10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.371 15.883 10.224 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.385 16.158 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.340 18.734 8.597 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.521 17.424 8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.505 17.962 7.001 1.00 0.00 H new ATOM 461 N GLN A 34 2.790 14.552 6.844 1.00 0.00 N ATOM 462 CA GLN A 34 4.184 14.140 6.878 1.00 0.00 C ATOM 463 C GLN A 34 5.067 15.225 6.279 1.00 0.00 C ATOM 464 O GLN A 34 4.683 15.885 5.315 1.00 0.00 O ATOM 465 CB GLN A 34 4.384 12.828 6.117 1.00 0.00 C ATOM 466 CG GLN A 34 5.652 12.090 6.509 1.00 0.00 C ATOM 467 CD GLN A 34 5.376 10.712 7.077 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.843 10.577 8.178 1.00 0.00 O ATOM 469 NE2 GLN A 34 5.740 9.681 6.325 1.00 0.00 N ATOM 0 H GLN A 34 2.342 14.455 5.933 1.00 0.00 H new ATOM 0 HA GLN A 34 4.466 13.982 7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.526 12.180 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.410 13.037 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.297 11.996 5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.197 12.680 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.179 9.841 5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.581 8.729 6.654 1.00 0.00 H new ATOM 478 N ASN A 35 6.244 15.410 6.862 1.00 0.00 N ATOM 479 CA ASN A 35 7.183 16.420 6.390 1.00 0.00 C ATOM 480 C ASN A 35 6.499 17.781 6.234 1.00 0.00 C ATOM 481 O ASN A 35 6.923 18.613 5.430 1.00 0.00 O ATOM 482 CB ASN A 35 7.823 15.971 5.068 1.00 0.00 C ATOM 483 CG ASN A 35 6.929 16.201 3.863 1.00 0.00 C ATOM 484 OD1 ASN A 35 6.844 17.310 3.338 1.00 0.00 O ATOM 485 ND2 ASN A 35 6.258 15.144 3.415 1.00 0.00 N ATOM 0 H ASN A 35 6.572 14.873 7.664 1.00 0.00 H new ATOM 0 HA ASN A 35 7.970 16.533 7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.761 16.508 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.070 14.911 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.644 15.235 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.358 14.242 3.880 1.00 0.00 H new ATOM 492 N GLY A 36 5.445 18.001 7.016 1.00 0.00 N ATOM 493 CA GLY A 36 4.722 19.259 6.961 1.00 0.00 C ATOM 494 C GLY A 36 3.875 19.397 5.711 1.00 0.00 C ATOM 495 O GLY A 36 3.832 20.465 5.101 1.00 0.00 O ATOM 0 H GLY A 36 5.078 17.328 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.082 19.343 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.433 20.084 7.005 1.00 0.00 H new ATOM 499 N GLN A 37 3.200 18.319 5.328 1.00 0.00 N ATOM 500 CA GLN A 37 2.351 18.330 4.140 1.00 0.00 C ATOM 501 C GLN A 37 1.188 17.353 4.290 1.00 0.00 C ATOM 502 O GLN A 37 1.374 16.220 4.732 1.00 0.00 O ATOM 503 CB GLN A 37 3.170 17.968 2.899 1.00 0.00 C ATOM 504 CG GLN A 37 4.366 18.877 2.661 1.00 0.00 C ATOM 505 CD GLN A 37 3.964 20.289 2.281 1.00 0.00 C ATOM 506 OE1 GLN A 37 4.451 21.262 2.856 1.00 0.00 O ATOM 507 NE2 GLN A 37 3.071 20.410 1.304 1.00 0.00 N ATOM 0 H GLN A 37 3.223 17.427 5.822 1.00 0.00 H new ATOM 0 HA GLN A 37 1.948 19.336 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.521 16.940 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.520 18.003 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.978 18.908 3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.986 18.455 1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.692 19.577 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.765 21.336 1.005 1.00 0.00 H new ATOM 516 N TRP A 38 -0.011 17.792 3.911 1.00 0.00 N ATOM 517 CA TRP A 38 -1.194 16.942 3.999 1.00 0.00 C ATOM 518 C TRP A 38 -1.073 15.763 3.045 1.00 0.00 C ATOM 519 O TRP A 38 -0.503 15.889 1.961 1.00 0.00 O ATOM 520 CB TRP A 38 -2.460 17.730 3.664 1.00 0.00 C ATOM 521 CG TRP A 38 -2.962 18.586 4.786 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.386 19.877 4.690 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.103 18.216 6.165 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.776 20.340 5.924 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.612 19.339 6.846 1.00 0.00 C ATOM 526 CE3 TRP A 38 -2.847 17.048 6.893 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -3.870 19.328 8.215 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -3.104 17.040 8.252 1.00 0.00 C ATOM 529 CH2 TRP A 38 -3.611 18.173 8.900 1.00 0.00 C ATOM 0 H TRP A 38 -0.187 18.726 3.542 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.264 16.577 5.024 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.263 18.363 2.799 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.245 17.031 3.376 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.412 20.453 3.777 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.130 21.276 6.122 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.456 16.169 6.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.261 20.201 8.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.910 16.144 8.823 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.801 18.134 9.962 1.00 0.00 H new ATOM 540 N CYS A 39 -1.614 14.619 3.445 1.00 0.00 N ATOM 541 CA CYS A 39 -1.562 13.429 2.608 1.00 0.00 C ATOM 542 C CYS A 39 -2.346 12.277 3.223 1.00 0.00 C ATOM 543 O CYS A 39 -2.586 12.247 4.430 1.00 0.00 O ATOM 544 CB CYS A 39 -0.112 12.993 2.369 1.00 0.00 C ATOM 545 SG CYS A 39 1.076 13.527 3.649 1.00 0.00 S ATOM 0 H CYS A 39 -2.091 14.491 4.338 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.021 13.688 1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.082 11.906 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.215 13.384 1.406 1.00 0.00 H new ATOM 550 N GLY A 40 -2.730 11.324 2.380 1.00 0.00 N ATOM 551 CA GLY A 40 -3.470 10.169 2.849 1.00 0.00 C ATOM 552 C GLY A 40 -2.556 8.997 3.142 1.00 0.00 C ATOM 553 O GLY A 40 -1.509 8.849 2.512 1.00 0.00 O ATOM 0 H GLY A 40 -2.541 11.332 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.023 10.433 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.205 9.878 2.098 1.00 0.00 H new ATOM 557 N ILE A 41 -2.943 8.167 4.101 1.00 0.00 N ATOM 558 CA ILE A 41 -2.137 7.012 4.474 1.00 0.00 C ATOM 559 C ILE A 41 -2.535 5.773 3.673 1.00 0.00 C ATOM 560 O ILE A 41 -3.482 5.069 4.025 1.00 0.00 O ATOM 561 CB ILE A 41 -2.256 6.723 5.989 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.358 7.677 6.775 1.00 0.00 C ATOM 563 CG2 ILE A 41 -1.906 5.277 6.311 1.00 0.00 C ATOM 564 CD1 ILE A 41 -1.977 9.040 6.979 1.00 0.00 C ATOM 0 H ILE A 41 -3.807 8.271 4.633 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.099 7.251 4.242 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.293 6.884 6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.133 7.237 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.410 7.790 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.000 5.110 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.585 4.611 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.881 5.073 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.290 9.671 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.177 9.498 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.911 8.936 7.531 1.00 0.00 H new ATOM 576 N ASP A 42 -1.793 5.508 2.601 1.00 0.00 N ATOM 577 CA ASP A 42 -2.051 4.347 1.758 1.00 0.00 C ATOM 578 C ASP A 42 -0.815 3.467 1.671 1.00 0.00 C ATOM 579 O ASP A 42 0.108 3.752 0.911 1.00 0.00 O ATOM 580 CB ASP A 42 -2.470 4.771 0.350 1.00 0.00 C ATOM 581 CG ASP A 42 -3.593 3.915 -0.196 1.00 0.00 C ATOM 582 OD1 ASP A 42 -4.388 3.392 0.613 1.00 0.00 O ATOM 583 OD2 ASP A 42 -3.678 3.766 -1.433 1.00 0.00 O ATOM 0 H ASP A 42 -1.008 6.083 2.296 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.866 3.784 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.786 5.814 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.610 4.708 -0.317 1.00 0.00 H new ATOM 588 N TYR A 43 -0.808 2.393 2.444 1.00 0.00 N ATOM 589 CA TYR A 43 0.318 1.471 2.442 1.00 0.00 C ATOM 590 C TYR A 43 0.517 0.846 1.060 1.00 0.00 C ATOM 591 O TYR A 43 1.542 0.212 0.802 1.00 0.00 O ATOM 592 CB TYR A 43 0.110 0.379 3.495 1.00 0.00 C ATOM 593 CG TYR A 43 -0.429 0.898 4.812 1.00 0.00 C ATOM 594 CD1 TYR A 43 -0.051 2.146 5.298 1.00 0.00 C ATOM 595 CD2 TYR A 43 -1.317 0.143 5.568 1.00 0.00 C ATOM 596 CE1 TYR A 43 -0.542 2.623 6.500 1.00 0.00 C ATOM 597 CE2 TYR A 43 -1.812 0.613 6.769 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.421 1.853 7.231 1.00 0.00 C ATOM 599 OH TYR A 43 -1.913 2.324 8.427 1.00 0.00 O ATOM 0 H TYR A 43 -1.565 2.138 3.078 1.00 0.00 H new ATOM 0 HA TYR A 43 1.218 2.034 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.578 -0.368 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.059 -0.126 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.637 2.752 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.626 -0.828 5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.238 3.593 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.502 0.013 7.344 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.810 2.694 8.289 1.00 0.00 H new ATOM 609 N SER A 44 -0.463 1.023 0.174 1.00 0.00 N ATOM 610 CA SER A 44 -0.384 0.473 -1.173 1.00 0.00 C ATOM 611 C SER A 44 -0.607 1.545 -2.235 1.00 0.00 C ATOM 612 O SER A 44 -1.412 1.363 -3.149 1.00 0.00 O ATOM 613 CB SER A 44 -1.405 -0.649 -1.356 1.00 0.00 C ATOM 614 OG SER A 44 -0.890 -1.890 -0.904 1.00 0.00 O ATOM 0 H SER A 44 -1.319 1.543 0.368 1.00 0.00 H new ATOM 0 HA SER A 44 0.622 0.072 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.316 -0.409 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.678 -0.727 -2.408 1.00 0.00 H new ATOM 0 HG SER A 44 -1.564 -2.590 -1.031 1.00 0.00 H new ATOM 620 N TYR A 45 0.105 2.662 -2.121 1.00 0.00 N ATOM 621 CA TYR A 45 -0.036 3.742 -3.090 1.00 0.00 C ATOM 622 C TYR A 45 0.848 3.509 -4.323 1.00 0.00 C ATOM 623 O TYR A 45 1.303 4.458 -4.956 1.00 0.00 O ATOM 624 CB TYR A 45 0.278 5.099 -2.445 1.00 0.00 C ATOM 625 CG TYR A 45 1.730 5.499 -2.537 1.00 0.00 C ATOM 626 CD1 TYR A 45 2.099 6.816 -2.768 1.00 0.00 C ATOM 627 CD2 TYR A 45 2.726 4.552 -2.394 1.00 0.00 C ATOM 628 CE1 TYR A 45 3.427 7.177 -2.852 1.00 0.00 C ATOM 629 CE2 TYR A 45 4.052 4.899 -2.480 1.00 0.00 C ATOM 630 CZ TYR A 45 4.404 6.215 -2.708 1.00 0.00 C ATOM 631 OH TYR A 45 5.731 6.568 -2.788 1.00 0.00 O ATOM 0 H TYR A 45 0.778 2.842 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.074 3.752 -3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.331 5.867 -2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.014 5.067 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.335 7.570 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.457 3.522 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.700 8.207 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.817 4.145 -2.370 1.00 0.00 H new ATOM 0 HH TYR A 45 6.285 5.842 -2.433 1.00 0.00 H new ATOM 641 N GLY A 46 1.080 2.244 -4.659 1.00 0.00 N ATOM 642 CA GLY A 46 1.887 1.916 -5.822 1.00 0.00 C ATOM 643 C GLY A 46 3.377 1.959 -5.558 1.00 0.00 C ATOM 644 O GLY A 46 4.086 2.786 -6.126 1.00 0.00 O ATOM 0 H GLY A 46 0.723 1.438 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.617 0.919 -6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.649 2.612 -6.627 1.00 0.00 H new ATOM 648 N GLN A 47 3.857 1.057 -4.709 1.00 0.00 N ATOM 649 CA GLN A 47 5.279 0.993 -4.391 1.00 0.00 C ATOM 650 C GLN A 47 5.862 -0.352 -4.813 1.00 0.00 C ATOM 651 O GLN A 47 5.171 -1.178 -5.409 1.00 0.00 O ATOM 652 CB GLN A 47 5.503 1.217 -2.894 1.00 0.00 C ATOM 653 CG GLN A 47 6.424 2.388 -2.588 1.00 0.00 C ATOM 654 CD GLN A 47 7.872 1.970 -2.426 1.00 0.00 C ATOM 655 OE1 GLN A 47 8.482 1.433 -3.350 1.00 0.00 O ATOM 656 NE2 GLN A 47 8.430 2.212 -1.245 1.00 0.00 N ATOM 0 H GLN A 47 3.284 0.362 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 47 5.789 1.783 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.540 1.386 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.923 0.311 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.350 3.122 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.088 2.879 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.887 2.660 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.401 1.950 -1.077 1.00 0.00 H new ATOM 665 N ASN A 48 7.135 -0.569 -4.501 1.00 0.00 N ATOM 666 CA ASN A 48 7.804 -1.817 -4.847 1.00 0.00 C ATOM 667 C ASN A 48 7.146 -2.999 -4.142 1.00 0.00 C ATOM 668 O ASN A 48 6.897 -2.954 -2.938 1.00 0.00 O ATOM 669 CB ASN A 48 9.285 -1.747 -4.474 1.00 0.00 C ATOM 670 CG ASN A 48 10.023 -0.665 -5.238 1.00 0.00 C ATOM 671 OD1 ASN A 48 10.682 0.190 -4.645 1.00 0.00 O ATOM 672 ND2 ASN A 48 9.916 -0.698 -6.561 1.00 0.00 N ATOM 0 H ASN A 48 7.724 0.103 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 48 7.715 -1.962 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.379 -1.561 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.753 -2.711 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.391 0.004 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.359 -1.425 -7.010 1.00 0.00 H new ATOM 679 N GLN A 49 6.868 -4.055 -4.902 1.00 0.00 N ATOM 680 CA GLN A 49 6.236 -5.255 -4.357 1.00 0.00 C ATOM 681 C GLN A 49 7.309 -6.247 -3.872 1.00 0.00 C ATOM 682 O GLN A 49 7.161 -7.461 -3.992 1.00 0.00 O ATOM 683 CB GLN A 49 5.313 -5.875 -5.433 1.00 0.00 C ATOM 684 CG GLN A 49 5.133 -7.387 -5.359 1.00 0.00 C ATOM 685 CD GLN A 49 3.937 -7.875 -6.157 1.00 0.00 C ATOM 686 OE1 GLN A 49 3.267 -8.831 -5.769 1.00 0.00 O ATOM 687 NE2 GLN A 49 3.662 -7.222 -7.282 1.00 0.00 N ATOM 0 H GLN A 49 7.071 -4.105 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 49 5.624 -4.998 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.332 -5.407 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.711 -5.623 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.035 -7.875 -5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.015 -7.684 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.242 -6.434 -7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.871 -7.509 -7.858 1.00 0.00 H new ATOM 696 N GLY A 50 8.398 -5.714 -3.321 1.00 0.00 N ATOM 697 CA GLY A 50 9.473 -6.558 -2.836 1.00 0.00 C ATOM 698 C GLY A 50 9.356 -6.871 -1.357 1.00 0.00 C ATOM 699 O GLY A 50 10.355 -7.156 -0.696 1.00 0.00 O ATOM 0 H GLY A 50 8.553 -4.713 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.479 -7.491 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.427 -6.066 -3.024 1.00 0.00 H new ATOM 703 N ASN A 51 8.134 -6.826 -0.835 1.00 0.00 N ATOM 704 CA ASN A 51 7.894 -7.116 0.576 1.00 0.00 C ATOM 705 C ASN A 51 8.502 -6.039 1.473 1.00 0.00 C ATOM 706 O ASN A 51 9.095 -6.343 2.509 1.00 0.00 O ATOM 707 CB ASN A 51 8.474 -8.484 0.937 1.00 0.00 C ATOM 708 CG ASN A 51 7.576 -9.263 1.878 1.00 0.00 C ATOM 709 OD1 ASN A 51 7.393 -10.471 1.723 1.00 0.00 O ATOM 710 ND2 ASN A 51 7.008 -8.573 2.861 1.00 0.00 N ATOM 0 H ASN A 51 7.295 -6.592 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 51 6.816 -7.126 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.629 -9.062 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.452 -8.350 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.392 -9.043 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.187 -7.573 2.952 1.00 0.00 H new ATOM 717 N GLU A 52 8.348 -4.781 1.073 1.00 0.00 N ATOM 718 CA GLU A 52 8.880 -3.664 1.846 1.00 0.00 C ATOM 719 C GLU A 52 8.070 -3.456 3.121 1.00 0.00 C ATOM 720 O GLU A 52 8.613 -3.098 4.166 1.00 0.00 O ATOM 721 CB GLU A 52 8.872 -2.385 1.007 1.00 0.00 C ATOM 722 CG GLU A 52 9.650 -2.505 -0.293 1.00 0.00 C ATOM 723 CD GLU A 52 10.369 -1.222 -0.662 1.00 0.00 C ATOM 724 OE1 GLU A 52 9.757 -0.141 -0.540 1.00 0.00 O ATOM 725 OE2 GLU A 52 11.546 -1.300 -1.073 1.00 0.00 O ATOM 0 H GLU A 52 7.860 -4.510 0.219 1.00 0.00 H new ATOM 0 HA GLU A 52 9.908 -3.900 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.840 -2.116 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.291 -1.570 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.377 -3.312 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.967 -2.779 -1.097 1.00 0.00 H new ATOM 732 N SER A 53 6.764 -3.687 3.026 1.00 0.00 N ATOM 733 CA SER A 53 5.869 -3.531 4.166 1.00 0.00 C ATOM 734 C SER A 53 4.584 -4.323 3.949 1.00 0.00 C ATOM 735 O SER A 53 4.431 -5.004 2.936 1.00 0.00 O ATOM 736 CB SER A 53 5.542 -2.054 4.388 1.00 0.00 C ATOM 737 OG SER A 53 5.103 -1.822 5.716 1.00 0.00 O ATOM 0 H SER A 53 6.301 -3.984 2.167 1.00 0.00 H new ATOM 0 HA SER A 53 6.372 -3.917 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.425 -1.448 4.182 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.769 -1.740 3.686 1.00 0.00 H new ATOM 0 HG SER A 53 4.902 -0.870 5.832 1.00 0.00 H new ATOM 743 N CYS A 54 3.663 -4.231 4.902 1.00 0.00 N ATOM 744 CA CYS A 54 2.395 -4.945 4.800 1.00 0.00 C ATOM 745 C CYS A 54 1.304 -4.262 5.616 1.00 0.00 C ATOM 746 O CYS A 54 1.565 -3.311 6.351 1.00 0.00 O ATOM 747 CB CYS A 54 2.562 -6.395 5.257 1.00 0.00 C ATOM 748 SG CYS A 54 3.415 -6.588 6.856 1.00 0.00 S ATOM 0 H CYS A 54 3.769 -3.673 5.749 1.00 0.00 H new ATOM 0 HA CYS A 54 2.091 -4.933 3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.577 -6.857 5.327 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.117 -6.942 4.495 1.00 0.00 H new ATOM 753 N THR A 55 0.081 -4.766 5.485 1.00 0.00 N ATOM 754 CA THR A 55 -1.056 -4.222 6.208 1.00 0.00 C ATOM 755 C THR A 55 -1.212 -4.936 7.541 1.00 0.00 C ATOM 756 O THR A 55 -0.856 -6.107 7.672 1.00 0.00 O ATOM 757 CB THR A 55 -2.333 -4.362 5.376 1.00 0.00 C ATOM 758 OG1 THR A 55 -2.162 -3.777 4.097 1.00 0.00 O ATOM 759 CG2 THR A 55 -3.543 -3.717 6.016 1.00 0.00 C ATOM 0 H THR A 55 -0.146 -5.555 4.880 1.00 0.00 H new ATOM 0 HA THR A 55 -0.881 -3.162 6.394 1.00 0.00 H new ATOM 0 HB THR A 55 -2.512 -5.435 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.725 -4.419 3.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.412 -3.855 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.732 -4.180 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.358 -2.652 6.153 1.00 0.00 H new ATOM 767 N GLY A 56 -1.729 -4.226 8.532 1.00 0.00 N ATOM 768 CA GLY A 56 -1.901 -4.817 9.841 1.00 0.00 C ATOM 769 C GLY A 56 -0.708 -4.564 10.741 1.00 0.00 C ATOM 770 O GLY A 56 -0.604 -5.131 11.827 1.00 0.00 O ATOM 0 H GLY A 56 -2.031 -3.255 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.799 -4.411 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.054 -5.891 9.736 1.00 0.00 H new ATOM 774 N ASN A 57 0.198 -3.699 10.300 1.00 0.00 N ATOM 775 CA ASN A 57 1.377 -3.383 11.094 1.00 0.00 C ATOM 776 C ASN A 57 1.028 -2.406 12.212 1.00 0.00 C ATOM 777 O ASN A 57 1.886 -2.029 13.010 1.00 0.00 O ATOM 778 CB ASN A 57 2.469 -2.789 10.210 1.00 0.00 C ATOM 779 CG ASN A 57 2.024 -1.518 9.514 1.00 0.00 C ATOM 780 OD1 ASN A 57 2.228 -0.415 10.022 1.00 0.00 O ATOM 781 ND2 ASN A 57 1.413 -1.665 8.344 1.00 0.00 N ATOM 0 H ASN A 57 0.140 -3.209 9.407 1.00 0.00 H new ATOM 0 HA ASN A 57 1.744 -4.308 11.540 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.349 -2.578 10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.767 -3.524 9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.092 -0.845 7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.265 -2.598 7.960 1.00 0.00 H new ATOM 788 N GLY A 58 -0.242 -2.016 12.275 1.00 0.00 N ATOM 789 CA GLY A 58 -0.690 -1.110 13.309 1.00 0.00 C ATOM 790 C GLY A 58 -1.940 -1.623 13.996 1.00 0.00 C ATOM 791 O GLY A 58 -2.659 -0.859 14.640 1.00 0.00 O ATOM 0 H GLY A 58 -0.968 -2.315 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.102 -0.977 14.046 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.889 -0.130 12.874 1.00 0.00 H new ATOM 795 N SER A 59 -2.204 -2.923 13.853 1.00 0.00 N ATOM 796 CA SER A 59 -3.385 -3.527 14.463 1.00 0.00 C ATOM 797 C SER A 59 -3.249 -5.045 14.597 1.00 0.00 C ATOM 798 O SER A 59 -3.217 -5.575 15.708 1.00 0.00 O ATOM 799 CB SER A 59 -4.630 -3.189 13.643 1.00 0.00 C ATOM 800 OG SER A 59 -4.294 -2.909 12.295 1.00 0.00 O ATOM 0 H SER A 59 -1.620 -3.571 13.324 1.00 0.00 H new ATOM 0 HA SER A 59 -3.481 -3.113 15.467 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.331 -4.023 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.135 -2.328 14.081 1.00 0.00 H new ATOM 0 HG SER A 59 -4.765 -3.533 11.704 1.00 0.00 H new ATOM 806 N TYR A 60 -3.190 -5.743 13.465 1.00 0.00 N ATOM 807 CA TYR A 60 -3.080 -7.203 13.472 1.00 0.00 C ATOM 808 C TYR A 60 -1.976 -7.687 12.531 1.00 0.00 C ATOM 809 O TYR A 60 -1.630 -7.014 11.566 1.00 0.00 O ATOM 810 CB TYR A 60 -4.415 -7.858 13.083 1.00 0.00 C ATOM 811 CG TYR A 60 -5.536 -6.881 12.787 1.00 0.00 C ATOM 812 CD1 TYR A 60 -5.410 -5.930 11.779 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.720 -6.913 13.512 1.00 0.00 C ATOM 814 CE1 TYR A 60 -6.431 -5.042 11.505 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.746 -6.028 13.243 1.00 0.00 C ATOM 816 CZ TYR A 60 -7.597 -5.093 12.239 1.00 0.00 C ATOM 817 OH TYR A 60 -8.617 -4.211 11.968 1.00 0.00 O ATOM 0 H TYR A 60 -3.216 -5.325 12.535 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.822 -7.499 14.489 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.255 -8.484 12.205 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.730 -8.518 13.892 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.498 -5.886 11.201 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.841 -7.642 14.299 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.317 -4.310 10.719 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.661 -6.068 13.816 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.367 -4.382 12.575 1.00 0.00 H new ATOM 827 N PRO A 61 -1.417 -8.881 12.798 1.00 0.00 N ATOM 828 CA PRO A 61 -0.351 -9.470 11.978 1.00 0.00 C ATOM 829 C PRO A 61 -0.657 -9.415 10.485 1.00 0.00 C ATOM 830 O PRO A 61 -1.816 -9.349 10.080 1.00 0.00 O ATOM 831 CB PRO A 61 -0.288 -10.931 12.459 1.00 0.00 C ATOM 832 CG PRO A 61 -1.484 -11.118 13.335 1.00 0.00 C ATOM 833 CD PRO A 61 -1.783 -9.765 13.908 1.00 0.00 C ATOM 0 HA PRO A 61 0.588 -8.928 12.092 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.307 -11.622 11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.634 -11.123 13.008 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.332 -11.498 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.282 -11.842 14.125 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.832 -9.661 14.184 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.196 -9.561 14.803 1.00 0.00 H new ATOM 841 N CYS A 62 0.394 -9.450 9.671 1.00 0.00 N ATOM 842 CA CYS A 62 0.239 -9.413 8.221 1.00 0.00 C ATOM 843 C CYS A 62 -0.074 -10.807 7.684 1.00 0.00 C ATOM 844 O CYS A 62 0.429 -11.806 8.198 1.00 0.00 O ATOM 845 CB CYS A 62 1.506 -8.854 7.566 1.00 0.00 C ATOM 846 SG CYS A 62 1.944 -7.174 8.126 1.00 0.00 S ATOM 0 H CYS A 62 1.361 -9.504 9.991 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.595 -8.756 7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.339 -9.525 7.776 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.370 -8.843 6.485 1.00 0.00 H new ATOM 851 N CYS A 63 -0.925 -10.869 6.665 1.00 0.00 N ATOM 852 CA CYS A 63 -1.325 -12.144 6.078 1.00 0.00 C ATOM 853 C CYS A 63 -0.165 -12.836 5.375 1.00 0.00 C ATOM 854 O CYS A 63 0.328 -13.858 5.846 1.00 0.00 O ATOM 855 CB CYS A 63 -2.466 -11.936 5.079 1.00 0.00 C ATOM 856 SG CYS A 63 -4.064 -11.487 5.830 1.00 0.00 S ATOM 0 H CYS A 63 -1.351 -10.052 6.228 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.659 -12.782 6.896 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.178 -11.154 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.596 -12.851 4.501 1.00 0.00 H new ATOM 861 N ASN A 64 0.229 -12.265 4.237 1.00 0.00 N ATOM 862 CA ASN A 64 1.311 -12.776 3.378 1.00 0.00 C ATOM 863 C ASN A 64 0.773 -13.087 1.979 1.00 0.00 C ATOM 864 O ASN A 64 1.499 -13.588 1.121 1.00 0.00 O ATOM 865 CB ASN A 64 2.003 -14.026 3.962 1.00 0.00 C ATOM 866 CG ASN A 64 1.226 -15.312 3.723 1.00 0.00 C ATOM 867 OD1 ASN A 64 1.278 -15.815 2.495 1.00 0.00 O flip ATOM 868 ND2 ASN A 64 0.593 -15.851 4.631 1.00 0.00 N flip ATOM 0 H ASN A 64 -0.201 -11.415 3.873 1.00 0.00 H new ATOM 0 HA ASN A 64 2.064 -11.990 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.995 -14.122 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.142 -13.888 5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.578 -15.432 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.083 -16.716 4.453 1.00 0.00 H new ATOM 875 N THR A 65 -0.508 -12.785 1.758 1.00 0.00 N ATOM 876 CA THR A 65 -1.146 -13.028 0.471 1.00 0.00 C ATOM 877 C THR A 65 -1.788 -11.752 -0.061 1.00 0.00 C ATOM 878 O THR A 65 -2.192 -10.886 0.713 1.00 0.00 O ATOM 879 CB THR A 65 -2.214 -14.117 0.614 1.00 0.00 C ATOM 880 OG1 THR A 65 -2.726 -14.486 -0.654 1.00 0.00 O ATOM 881 CG2 THR A 65 -3.387 -13.698 1.480 1.00 0.00 C ATOM 0 H THR A 65 -1.122 -12.370 2.459 1.00 0.00 H new ATOM 0 HA THR A 65 -0.382 -13.357 -0.234 1.00 0.00 H new ATOM 0 HB THR A 65 -1.710 -14.955 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.405 -15.183 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.106 -14.515 1.539 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.031 -13.454 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.868 -12.823 1.043 1.00 0.00 H new ATOM 889 N CYS A 66 -1.899 -11.651 -1.381 1.00 0.00 N ATOM 890 CA CYS A 66 -2.519 -10.487 -2.007 1.00 0.00 C ATOM 891 C CYS A 66 -4.037 -10.691 -2.102 1.00 0.00 C ATOM 892 O CYS A 66 -4.765 -9.846 -2.617 1.00 0.00 O ATOM 893 CB CYS A 66 -1.891 -10.236 -3.393 1.00 0.00 C ATOM 894 SG CYS A 66 -2.915 -9.271 -4.558 1.00 0.00 S ATOM 0 H CYS A 66 -1.569 -12.359 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.338 -9.604 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.943 -9.717 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.663 -11.199 -3.849 1.00 0.00 H new ATOM 899 N GLN A 67 -4.510 -11.811 -1.568 1.00 0.00 N ATOM 900 CA GLN A 67 -5.931 -12.113 -1.566 1.00 0.00 C ATOM 901 C GLN A 67 -6.594 -11.363 -0.421 1.00 0.00 C ATOM 902 O GLN A 67 -6.653 -11.855 0.702 1.00 0.00 O ATOM 903 CB GLN A 67 -6.147 -13.628 -1.432 1.00 0.00 C ATOM 904 CG GLN A 67 -7.535 -14.031 -0.951 1.00 0.00 C ATOM 905 CD GLN A 67 -7.503 -14.779 0.369 1.00 0.00 C ATOM 906 OE1 GLN A 67 -6.629 -14.352 1.276 1.00 0.00 O flip ATOM 907 NE2 GLN A 67 -8.256 -15.732 0.574 1.00 0.00 N flip ATOM 0 H GLN A 67 -3.927 -12.524 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.381 -11.793 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.962 -14.095 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.407 -14.027 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.151 -13.138 -0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.010 -14.657 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.912 -16.028 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.223 -16.225 1.466 1.00 0.00 H new ATOM 916 N ALA A 68 -7.073 -10.164 -0.713 1.00 0.00 N ATOM 917 CA ALA A 68 -7.710 -9.337 0.290 1.00 0.00 C ATOM 918 C ALA A 68 -9.220 -9.457 0.226 1.00 0.00 C ATOM 919 O ALA A 68 -9.888 -8.728 -0.508 1.00 0.00 O ATOM 920 CB ALA A 68 -7.289 -7.890 0.130 1.00 0.00 C ATOM 0 H ALA A 68 -7.031 -9.744 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.386 -9.691 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.777 -7.283 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.208 -7.811 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.579 -7.534 -0.859 1.00 0.00 H new ATOM 926 N THR A 69 -9.744 -10.380 1.004 1.00 0.00 N ATOM 927 CA THR A 69 -11.180 -10.614 1.056 1.00 0.00 C ATOM 928 C THR A 69 -11.924 -9.358 1.505 1.00 0.00 C ATOM 929 O THR A 69 -13.114 -9.205 1.227 1.00 0.00 O ATOM 930 CB THR A 69 -11.495 -11.780 1.998 1.00 0.00 C ATOM 931 OG1 THR A 69 -12.782 -11.638 2.573 1.00 0.00 O ATOM 932 CG2 THR A 69 -10.499 -11.913 3.126 1.00 0.00 C ATOM 0 H THR A 69 -9.197 -10.987 1.615 1.00 0.00 H new ATOM 0 HA THR A 69 -11.518 -10.869 0.052 1.00 0.00 H new ATOM 0 HB THR A 69 -11.445 -12.674 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.959 -12.396 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.776 -12.756 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.503 -12.080 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.498 -10.999 3.720 1.00 0.00 H new ATOM 940 N TYR A 70 -11.226 -8.459 2.200 1.00 0.00 N ATOM 941 CA TYR A 70 -11.849 -7.230 2.671 1.00 0.00 C ATOM 942 C TYR A 70 -10.827 -6.104 2.791 1.00 0.00 C ATOM 943 O TYR A 70 -9.682 -6.329 3.174 1.00 0.00 O ATOM 944 CB TYR A 70 -12.552 -7.477 4.015 1.00 0.00 C ATOM 945 CG TYR A 70 -11.706 -7.186 5.238 1.00 0.00 C ATOM 946 CD1 TYR A 70 -11.224 -8.217 6.034 1.00 0.00 C ATOM 947 CD2 TYR A 70 -11.398 -5.880 5.600 1.00 0.00 C ATOM 948 CE1 TYR A 70 -10.460 -7.955 7.156 1.00 0.00 C ATOM 949 CE2 TYR A 70 -10.634 -5.610 6.718 1.00 0.00 C ATOM 950 CZ TYR A 70 -10.168 -6.650 7.494 1.00 0.00 C ATOM 951 OH TYR A 70 -9.407 -6.385 8.609 1.00 0.00 O ATOM 0 H TYR A 70 -10.241 -8.560 2.445 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.594 -6.920 1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -13.451 -6.861 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.876 -8.517 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.450 -9.240 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.763 -5.062 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.094 -8.768 7.765 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.403 -4.589 6.983 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.539 -6.023 8.334 1.00 0.00 H new ATOM 961 N THR A 71 -11.262 -4.890 2.476 1.00 0.00 N ATOM 962 CA THR A 71 -10.398 -3.720 2.560 1.00 0.00 C ATOM 963 C THR A 71 -10.993 -2.696 3.516 1.00 0.00 C ATOM 964 O THR A 71 -12.200 -2.451 3.508 1.00 0.00 O ATOM 965 CB THR A 71 -10.198 -3.096 1.178 1.00 0.00 C ATOM 966 OG1 THR A 71 -9.531 -3.997 0.313 1.00 0.00 O ATOM 967 CG2 THR A 71 -9.396 -1.811 1.211 1.00 0.00 C ATOM 0 H THR A 71 -12.211 -4.690 2.159 1.00 0.00 H new ATOM 0 HA THR A 71 -9.426 -4.036 2.939 1.00 0.00 H new ATOM 0 HB THR A 71 -11.201 -2.870 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.414 -3.580 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.291 -1.421 0.198 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.910 -1.077 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.408 -2.009 1.627 1.00 0.00 H new ATOM 975 N ASP A 72 -10.140 -2.100 4.337 1.00 0.00 N ATOM 976 CA ASP A 72 -10.585 -1.103 5.299 1.00 0.00 C ATOM 977 C ASP A 72 -9.891 0.231 5.058 1.00 0.00 C ATOM 978 O ASP A 72 -9.270 0.440 4.016 1.00 0.00 O ATOM 979 CB ASP A 72 -10.319 -1.585 6.727 1.00 0.00 C ATOM 980 CG ASP A 72 -11.498 -1.339 7.649 1.00 0.00 C ATOM 981 OD1 ASP A 72 -12.475 -2.112 7.582 1.00 0.00 O ATOM 982 OD2 ASP A 72 -11.443 -0.371 8.437 1.00 0.00 O ATOM 0 H ASP A 72 -9.138 -2.289 4.356 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.658 -0.961 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.090 -2.650 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.440 -1.076 7.122 1.00 0.00 H new ATOM 987 N GLY A 73 -10.004 1.131 6.027 1.00 0.00 N ATOM 988 CA GLY A 73 -9.385 2.436 5.903 1.00 0.00 C ATOM 989 C GLY A 73 -7.873 2.394 6.031 1.00 0.00 C ATOM 990 O GLY A 73 -7.218 3.437 5.994 1.00 0.00 O ATOM 0 H GLY A 73 -10.514 0.980 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.650 2.867 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.790 3.098 6.669 1.00 0.00 H new ATOM 994 N ASP A 74 -7.305 1.196 6.180 1.00 0.00 N ATOM 995 CA ASP A 74 -5.858 1.059 6.308 1.00 0.00 C ATOM 996 C ASP A 74 -5.283 0.194 5.188 1.00 0.00 C ATOM 997 O ASP A 74 -4.108 -0.171 5.217 1.00 0.00 O ATOM 998 CB ASP A 74 -5.501 0.460 7.671 1.00 0.00 C ATOM 999 CG ASP A 74 -5.058 1.513 8.667 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -4.393 2.484 8.248 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -5.377 1.367 9.866 1.00 0.00 O ATOM 0 H ASP A 74 -7.821 0.317 6.214 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.418 2.053 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.365 -0.072 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.705 -0.274 7.545 1.00 0.00 H new ATOM 1006 N GLY A 75 -6.115 -0.130 4.200 1.00 0.00 N ATOM 1007 CA GLY A 75 -5.663 -0.946 3.091 1.00 0.00 C ATOM 1008 C GLY A 75 -6.506 -2.190 2.912 1.00 0.00 C ATOM 1009 O GLY A 75 -7.671 -2.221 3.306 1.00 0.00 O ATOM 0 H GLY A 75 -7.092 0.159 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.690 -0.357 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.624 -1.234 3.254 1.00 0.00 H new ATOM 1013 N ASP A 76 -5.915 -3.221 2.321 1.00 0.00 N ATOM 1014 CA ASP A 76 -6.620 -4.477 2.093 1.00 0.00 C ATOM 1015 C ASP A 76 -6.400 -5.427 3.267 1.00 0.00 C ATOM 1016 O ASP A 76 -5.554 -5.176 4.125 1.00 0.00 O ATOM 1017 CB ASP A 76 -6.165 -5.128 0.779 1.00 0.00 C ATOM 1018 CG ASP A 76 -5.381 -4.186 -0.117 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -5.834 -3.932 -1.253 1.00 0.00 O ATOM 1020 OD2 ASP A 76 -4.315 -3.702 0.319 1.00 0.00 O ATOM 0 H ASP A 76 -4.950 -3.213 1.991 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.686 -4.263 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.550 -5.998 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.040 -5.489 0.238 1.00 0.00 H new ATOM 1025 N TRP A 77 -7.175 -6.509 3.318 1.00 0.00 N ATOM 1026 CA TRP A 77 -7.061 -7.471 4.411 1.00 0.00 C ATOM 1027 C TRP A 77 -7.566 -8.854 4.011 1.00 0.00 C ATOM 1028 O TRP A 77 -8.403 -8.990 3.119 1.00 0.00 O ATOM 1029 CB TRP A 77 -7.845 -6.976 5.627 1.00 0.00 C ATOM 1030 CG TRP A 77 -7.515 -5.569 6.027 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -8.072 -4.421 5.537 1.00 0.00 C ATOM 1032 CD2 TRP A 77 -6.552 -5.162 7.003 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -7.512 -3.328 6.150 1.00 0.00 N ATOM 1034 CE2 TRP A 77 -6.576 -3.756 7.052 1.00 0.00 C ATOM 1035 CE3 TRP A 77 -5.671 -5.849 7.839 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -5.756 -3.028 7.906 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 -4.855 -5.125 8.686 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -4.902 -3.727 8.715 1.00 0.00 C ATOM 0 H TRP A 77 -7.883 -6.740 2.621 1.00 0.00 H new ATOM 0 HA TRP A 77 -6.003 -7.558 4.658 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.911 -7.042 5.412 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.648 -7.639 6.469 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.840 -4.380 4.779 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -7.754 -2.355 5.964 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.628 -6.928 7.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -5.792 -1.949 7.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.169 -5.647 9.337 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.252 -3.189 9.389 1.00 0.00 H new ATOM 1049 N ALA A 78 -7.052 -9.875 4.692 1.00 0.00 N ATOM 1050 CA ALA A 78 -7.448 -11.251 4.431 1.00 0.00 C ATOM 1051 C ALA A 78 -7.439 -12.083 5.709 1.00 0.00 C ATOM 1052 O ALA A 78 -6.856 -11.687 6.721 1.00 0.00 O ATOM 1053 CB ALA A 78 -6.537 -11.880 3.391 1.00 0.00 C ATOM 0 H ALA A 78 -6.357 -9.772 5.432 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.467 -11.234 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.848 -12.909 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.599 -11.312 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.509 -11.871 3.754 1.00 0.00 H new ATOM 1059 N PHE A 79 -8.087 -13.242 5.653 1.00 0.00 N ATOM 1060 CA PHE A 79 -8.155 -14.139 6.799 1.00 0.00 C ATOM 1061 C PHE A 79 -7.158 -15.282 6.646 1.00 0.00 C ATOM 1062 O PHE A 79 -7.358 -16.189 5.838 1.00 0.00 O ATOM 1063 CB PHE A 79 -9.570 -14.696 6.955 1.00 0.00 C ATOM 1064 CG PHE A 79 -9.755 -15.531 8.190 1.00 0.00 C ATOM 1065 CD1 PHE A 79 -10.357 -16.777 8.117 1.00 0.00 C ATOM 1066 CD2 PHE A 79 -9.329 -15.068 9.425 1.00 0.00 C ATOM 1067 CE1 PHE A 79 -10.529 -17.546 9.251 1.00 0.00 C ATOM 1068 CE2 PHE A 79 -9.497 -15.833 10.563 1.00 0.00 C ATOM 1069 CZ PHE A 79 -10.099 -17.073 10.477 1.00 0.00 C ATOM 0 H PHE A 79 -8.573 -13.582 4.823 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.899 -13.571 7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.277 -13.867 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.813 -15.298 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -10.696 -17.151 7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.860 -14.098 9.499 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.999 -18.516 9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.158 -15.462 11.519 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.234 -17.672 11.366 1.00 0.00 H new ATOM 1079 N GLU A 80 -6.083 -15.231 7.423 1.00 0.00 N ATOM 1080 CA GLU A 80 -5.052 -16.260 7.372 1.00 0.00 C ATOM 1081 C GLU A 80 -4.515 -16.549 8.772 1.00 0.00 C ATOM 1082 O GLU A 80 -4.440 -15.656 9.615 1.00 0.00 O ATOM 1083 CB GLU A 80 -3.921 -15.824 6.427 1.00 0.00 C ATOM 1084 CG GLU A 80 -2.557 -16.420 6.752 1.00 0.00 C ATOM 1085 CD GLU A 80 -2.519 -17.924 6.568 1.00 0.00 C ATOM 1086 OE1 GLU A 80 -3.599 -18.552 6.590 1.00 0.00 O ATOM 1087 OE2 GLU A 80 -1.410 -18.473 6.402 1.00 0.00 O ATOM 0 H GLU A 80 -5.902 -14.487 8.097 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.489 -17.180 6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.190 -16.101 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.843 -14.737 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.802 -15.960 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.294 -16.177 7.782 1.00 0.00 H new ATOM 1094 N ASN A 81 -4.151 -17.805 9.011 1.00 0.00 N ATOM 1095 CA ASN A 81 -3.629 -18.217 10.310 1.00 0.00 C ATOM 1096 C ASN A 81 -4.701 -18.100 11.395 1.00 0.00 C ATOM 1097 O ASN A 81 -4.396 -18.149 12.586 1.00 0.00 O ATOM 1098 CB ASN A 81 -2.408 -17.372 10.686 1.00 0.00 C ATOM 1099 CG ASN A 81 -1.117 -18.164 10.627 1.00 0.00 C ATOM 1100 OD1 ASN A 81 -0.557 -18.540 11.657 1.00 0.00 O ATOM 1101 ND2 ASN A 81 -0.636 -18.424 9.416 1.00 0.00 N ATOM 0 H ASN A 81 -4.208 -18.555 8.322 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.329 -19.262 10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.339 -16.518 10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.541 -16.974 11.692 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.229 -18.954 9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.132 -18.093 8.588 1.00 0.00 H new ATOM 1108 N GLY A 82 -5.956 -17.952 10.976 1.00 0.00 N ATOM 1109 CA GLY A 82 -7.046 -17.836 11.925 1.00 0.00 C ATOM 1110 C GLY A 82 -7.094 -16.478 12.600 1.00 0.00 C ATOM 1111 O GLY A 82 -7.500 -16.370 13.756 1.00 0.00 O ATOM 0 H GLY A 82 -6.235 -17.911 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.990 -18.015 11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.945 -18.611 12.685 1.00 0.00 H new ATOM 1115 N ASN A 83 -6.681 -15.440 11.880 1.00 0.00 N ATOM 1116 CA ASN A 83 -6.684 -14.086 12.428 1.00 0.00 C ATOM 1117 C ASN A 83 -6.892 -13.046 11.332 1.00 0.00 C ATOM 1118 O ASN A 83 -6.554 -13.276 10.170 1.00 0.00 O ATOM 1119 CB ASN A 83 -5.370 -13.803 13.163 1.00 0.00 C ATOM 1120 CG ASN A 83 -4.898 -14.984 13.990 1.00 0.00 C ATOM 1121 OD1 ASN A 83 -3.968 -15.755 13.440 1.00 0.00 O flip ATOM 1122 ND2 ASN A 83 -5.364 -15.200 15.109 1.00 0.00 N flip ATOM 0 H ASN A 83 -6.341 -15.508 10.921 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.513 -14.017 13.132 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.600 -13.542 12.436 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.501 -12.938 13.813 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.078 -14.581 15.492 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.036 -15.998 15.653 1.00 0.00 H new ATOM 1129 N TRP A 84 -7.444 -11.898 11.713 1.00 0.00 N ATOM 1130 CA TRP A 84 -7.691 -10.814 10.768 1.00 0.00 C ATOM 1131 C TRP A 84 -6.393 -10.086 10.443 1.00 0.00 C ATOM 1132 O TRP A 84 -6.078 -9.055 11.037 1.00 0.00 O ATOM 1133 CB TRP A 84 -8.715 -9.831 11.339 1.00 0.00 C ATOM 1134 CG TRP A 84 -10.115 -10.361 11.331 1.00 0.00 C ATOM 1135 CD1 TRP A 84 -10.953 -10.481 12.402 1.00 0.00 C ATOM 1136 CD2 TRP A 84 -10.843 -10.844 10.196 1.00 0.00 C ATOM 1137 NE1 TRP A 84 -12.157 -11.009 12.002 1.00 0.00 N ATOM 1138 CE2 TRP A 84 -12.115 -11.241 10.652 1.00 0.00 C ATOM 1139 CE3 TRP A 84 -10.544 -10.980 8.838 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 -13.083 -11.762 9.800 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 -11.506 -11.498 7.991 1.00 0.00 C ATOM 1142 CH2 TRP A 84 -12.762 -11.883 8.474 1.00 0.00 C ATOM 0 H TRP A 84 -7.729 -11.694 12.671 1.00 0.00 H new ATOM 0 HA TRP A 84 -8.091 -11.243 9.850 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.435 -9.580 12.362 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -8.681 -8.906 10.763 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -10.706 -10.202 13.416 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -12.953 -11.198 12.611 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.578 -10.685 8.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -14.053 -12.060 10.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -11.285 -11.607 6.940 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -13.493 -12.284 7.787 1.00 0.00 H new ATOM 1153 N CYS A 85 -5.643 -10.637 9.498 1.00 0.00 N ATOM 1154 CA CYS A 85 -4.371 -10.058 9.086 1.00 0.00 C ATOM 1155 C CYS A 85 -4.556 -9.136 7.883 1.00 0.00 C ATOM 1156 O CYS A 85 -5.642 -9.066 7.308 1.00 0.00 O ATOM 1157 CB CYS A 85 -3.379 -11.168 8.753 1.00 0.00 C ATOM 1158 SG CYS A 85 -4.048 -12.429 7.626 1.00 0.00 S ATOM 0 H CYS A 85 -5.896 -11.490 8.999 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.979 -9.463 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.490 -10.726 8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.063 -11.650 9.678 1.00 0.00 H new ATOM 1163 N GLY A 86 -3.493 -8.425 7.509 1.00 0.00 N ATOM 1164 CA GLY A 86 -3.572 -7.513 6.383 1.00 0.00 C ATOM 1165 C GLY A 86 -2.794 -7.994 5.172 1.00 0.00 C ATOM 1166 O GLY A 86 -1.967 -8.901 5.272 1.00 0.00 O ATOM 0 H GLY A 86 -2.582 -8.465 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.617 -7.377 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.194 -6.537 6.686 1.00 0.00 H new ATOM 1170 N ILE A 87 -3.066 -7.381 4.023 1.00 0.00 N ATOM 1171 CA ILE A 87 -2.397 -7.737 2.775 1.00 0.00 C ATOM 1172 C ILE A 87 -1.039 -7.057 2.670 1.00 0.00 C ATOM 1173 O ILE A 87 -0.924 -5.848 2.872 1.00 0.00 O ATOM 1174 CB ILE A 87 -3.274 -7.351 1.551 1.00 0.00 C ATOM 1175 CG1 ILE A 87 -4.014 -8.569 0.991 1.00 0.00 C ATOM 1176 CG2 ILE A 87 -2.451 -6.704 0.436 1.00 0.00 C ATOM 1177 CD1 ILE A 87 -4.560 -9.512 2.038 1.00 0.00 C ATOM 0 H ILE A 87 -3.750 -6.630 3.931 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.247 -8.817 2.777 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.000 -6.623 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.839 -8.222 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.336 -9.122 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.105 -6.451 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.976 -5.798 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.684 -7.401 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.067 -10.344 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.740 -9.894 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.267 -8.979 2.674 1.00 0.00 H new ATOM 1189 N LYS A 88 -0.020 -7.831 2.324 1.00 0.00 N ATOM 1190 CA LYS A 88 1.314 -7.278 2.162 1.00 0.00 C ATOM 1191 C LYS A 88 1.315 -6.317 0.986 1.00 0.00 C ATOM 1192 O LYS A 88 0.590 -6.524 0.013 1.00 0.00 O ATOM 1193 CB LYS A 88 2.343 -8.388 1.927 1.00 0.00 C ATOM 1194 CG LYS A 88 2.229 -9.551 2.897 1.00 0.00 C ATOM 1195 CD LYS A 88 3.127 -9.359 4.109 1.00 0.00 C ATOM 1196 CE LYS A 88 3.679 -10.682 4.615 1.00 0.00 C ATOM 1197 NZ LYS A 88 4.438 -11.412 3.561 1.00 0.00 N ATOM 0 H LYS A 88 -0.091 -8.834 2.152 1.00 0.00 H new ATOM 0 HA LYS A 88 1.589 -6.750 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.231 -8.764 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.344 -7.963 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.194 -9.654 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.496 -10.477 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.952 -8.696 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.565 -8.871 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.330 -10.499 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.858 -11.306 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.936 -12.289 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.521 -10.813 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.388 -11.644 3.915 1.00 0.00 H new ATOM 1211 N ASN A 89 2.124 -5.266 1.072 1.00 0.00 N ATOM 1212 CA ASN A 89 2.206 -4.278 0.001 1.00 0.00 C ATOM 1213 C ASN A 89 2.160 -4.959 -1.364 1.00 0.00 C ATOM 1214 O ASN A 89 1.386 -4.566 -2.225 1.00 0.00 O ATOM 1215 CB ASN A 89 3.480 -3.435 0.159 1.00 0.00 C ATOM 1216 CG ASN A 89 4.718 -4.119 -0.389 1.00 0.00 C ATOM 1217 OD1 ASN A 89 5.148 -3.842 -1.507 1.00 0.00 O ATOM 1218 ND2 ASN A 89 5.293 -5.019 0.398 1.00 0.00 N ATOM 0 H ASN A 89 2.731 -5.076 1.870 1.00 0.00 H new ATOM 0 HA ASN A 89 1.345 -3.613 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.343 -2.482 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.633 -3.212 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.127 -5.514 0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.901 -5.216 1.319 1.00 0.00 H new ATOM 1225 N SER A 90 2.975 -5.998 -1.527 1.00 0.00 N ATOM 1226 CA SER A 90 3.056 -6.776 -2.771 1.00 0.00 C ATOM 1227 C SER A 90 1.752 -6.777 -3.586 1.00 0.00 C ATOM 1228 O SER A 90 1.787 -6.872 -4.812 1.00 0.00 O ATOM 1229 CB SER A 90 3.467 -8.216 -2.447 1.00 0.00 C ATOM 1230 OG SER A 90 2.905 -9.139 -3.365 1.00 0.00 O ATOM 0 H SER A 90 3.605 -6.330 -0.797 1.00 0.00 H new ATOM 0 HA SER A 90 3.806 -6.290 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.554 -8.298 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.147 -8.467 -1.436 1.00 0.00 H new ATOM 0 HG SER A 90 3.348 -9.046 -4.234 1.00 0.00 H new ATOM 1236 N CYS A 91 0.609 -6.677 -2.913 1.00 0.00 N ATOM 1237 CA CYS A 91 -0.681 -6.674 -3.597 1.00 0.00 C ATOM 1238 C CYS A 91 -1.062 -5.280 -4.087 1.00 0.00 C ATOM 1239 O CYS A 91 -2.208 -4.852 -3.946 1.00 0.00 O ATOM 1240 CB CYS A 91 -1.774 -7.196 -2.676 1.00 0.00 C ATOM 1241 SG CYS A 91 -3.335 -7.572 -3.532 1.00 0.00 S ATOM 0 H CYS A 91 0.549 -6.597 -1.898 1.00 0.00 H new ATOM 0 HA CYS A 91 -0.584 -7.328 -4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -1.417 -8.097 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -1.965 -6.456 -1.898 1.00 0.00 H new ATOM 1246 N LYS A 92 -0.105 -4.588 -4.679 1.00 0.00 N ATOM 1247 CA LYS A 92 -0.349 -3.252 -5.212 1.00 0.00 C ATOM 1248 C LYS A 92 -0.513 -3.323 -6.723 1.00 0.00 C ATOM 1249 O LYS A 92 -1.469 -2.790 -7.285 1.00 0.00 O ATOM 1250 CB LYS A 92 0.800 -2.300 -4.879 1.00 0.00 C ATOM 1251 CG LYS A 92 1.139 -2.199 -3.401 1.00 0.00 C ATOM 1252 CD LYS A 92 2.622 -2.466 -3.137 1.00 0.00 C ATOM 1253 CE LYS A 92 3.128 -3.681 -3.898 1.00 0.00 C ATOM 1254 NZ LYS A 92 3.734 -3.301 -5.205 1.00 0.00 N ATOM 0 H LYS A 92 0.849 -4.926 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.260 -2.870 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.689 -2.624 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.547 -1.306 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.878 -1.206 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.536 -2.913 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.204 -1.590 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.778 -2.617 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.867 -4.207 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.303 -4.374 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.164 -3.696 -5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.760 -2.265 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.702 -3.677 -5.261 1.00 0.00 H new ATOM 1268 N GLN A 93 0.437 -3.987 -7.370 1.00 0.00 N ATOM 1269 CA GLN A 93 0.418 -4.137 -8.819 1.00 0.00 C ATOM 1270 C GLN A 93 0.655 -5.602 -9.218 1.00 0.00 C ATOM 1271 O GLN A 93 -0.143 -6.471 -8.871 1.00 0.00 O ATOM 1272 CB GLN A 93 1.458 -3.204 -9.451 1.00 0.00 C ATOM 1273 CG GLN A 93 2.822 -3.265 -8.780 1.00 0.00 C ATOM 1274 CD GLN A 93 3.290 -1.912 -8.281 1.00 0.00 C ATOM 1275 OE1 GLN A 93 2.486 -1.284 -7.431 1.00 0.00 O flip ATOM 1276 NE2 GLN A 93 4.361 -1.435 -8.655 1.00 0.00 N flip ATOM 0 H GLN A 93 1.233 -4.431 -6.912 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.566 -3.856 -9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.570 -3.459 -10.505 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.088 -2.180 -9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.780 -3.962 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.552 -3.660 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.949 -1.952 -9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.661 -0.523 -8.311 1.00 0.00 H new ATOM 1285 N GLN A 94 1.747 -5.879 -9.938 1.00 0.00 N ATOM 1286 CA GLN A 94 2.055 -7.242 -10.361 1.00 0.00 C ATOM 1287 C GLN A 94 3.532 -7.382 -10.731 1.00 0.00 C ATOM 1288 O GLN A 94 4.271 -8.126 -10.087 1.00 0.00 O ATOM 1289 CB GLN A 94 1.170 -7.652 -11.544 1.00 0.00 C ATOM 1290 CG GLN A 94 -0.280 -7.890 -11.165 1.00 0.00 C ATOM 1291 CD GLN A 94 -0.976 -8.862 -12.098 1.00 0.00 C ATOM 1292 OE1 GLN A 94 -1.355 -8.506 -13.214 1.00 0.00 O ATOM 1293 NE2 GLN A 94 -1.150 -10.098 -11.643 1.00 0.00 N ATOM 0 H GLN A 94 2.427 -5.180 -10.237 1.00 0.00 H new ATOM 0 HA GLN A 94 1.849 -7.908 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.214 -6.874 -12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.574 -8.560 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.327 -8.274 -10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.814 -6.940 -11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.820 -10.350 -10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.614 -10.795 -12.225 1.00 0.00 H new ATOM 1302 N PRO A 95 3.988 -6.666 -11.777 1.00 0.00 N ATOM 1303 CA PRO A 95 5.383 -6.709 -12.230 1.00 0.00 C ATOM 1304 C PRO A 95 6.381 -6.599 -11.078 1.00 0.00 C ATOM 1305 O PRO A 95 7.510 -7.078 -11.180 1.00 0.00 O ATOM 1306 CB PRO A 95 5.503 -5.489 -13.161 1.00 0.00 C ATOM 1307 CG PRO A 95 4.218 -4.738 -13.010 1.00 0.00 C ATOM 1308 CD PRO A 95 3.197 -5.753 -12.607 1.00 0.00 C ATOM 0 HA PRO A 95 5.616 -7.657 -12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 95 6.355 -4.868 -12.885 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.657 -5.799 -14.195 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.309 -3.955 -12.257 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.938 -4.251 -13.944 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.374 -5.305 -12.051 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.762 -6.258 -13.469 1.00 0.00 H new ATOM 1316 N GLN A 96 5.959 -5.963 -9.988 1.00 0.00 N ATOM 1317 CA GLN A 96 6.814 -5.786 -8.814 1.00 0.00 C ATOM 1318 C GLN A 96 8.207 -5.302 -9.210 1.00 0.00 C ATOM 1319 O GLN A 96 9.191 -5.593 -8.531 1.00 0.00 O ATOM 1320 CB GLN A 96 6.917 -7.096 -8.025 1.00 0.00 C ATOM 1321 CG GLN A 96 7.707 -8.184 -8.736 1.00 0.00 C ATOM 1322 CD GLN A 96 8.070 -9.335 -7.817 1.00 0.00 C ATOM 1323 OE1 GLN A 96 7.106 -9.784 -7.021 1.00 0.00 O flip ATOM 1324 NE2 GLN A 96 9.204 -9.814 -7.822 1.00 0.00 N flip ATOM 0 H GLN A 96 5.027 -5.560 -9.892 1.00 0.00 H new ATOM 0 HA GLN A 96 6.357 -5.025 -8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.384 -6.892 -7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.912 -7.465 -7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.123 -8.563 -9.574 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.618 -7.754 -9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.914 -9.438 -8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.434 -10.587 -7.198 1.00 0.00 H new ATOM 1333 N ASN A 97 8.281 -4.560 -10.312 1.00 0.00 N ATOM 1334 CA ASN A 97 9.552 -4.032 -10.801 1.00 0.00 C ATOM 1335 C ASN A 97 10.451 -5.155 -11.309 1.00 0.00 C ATOM 1336 O ASN A 97 10.724 -5.252 -12.505 1.00 0.00 O ATOM 1337 CB ASN A 97 10.267 -3.248 -9.698 1.00 0.00 C ATOM 1338 CG ASN A 97 11.337 -2.324 -10.246 1.00 0.00 C ATOM 1339 OD1 ASN A 97 12.525 -2.651 -10.228 1.00 0.00 O ATOM 1340 ND2 ASN A 97 10.922 -1.163 -10.737 1.00 0.00 N ATOM 0 H ASN A 97 7.474 -4.310 -10.884 1.00 0.00 H new ATOM 0 HA ASN A 97 9.338 -3.359 -11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 97 9.536 -2.663 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.720 -3.947 -8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.597 -0.501 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.928 -0.933 -10.732 1.00 0.00 H new ATOM 1347 N ASN A 98 10.910 -6.001 -10.392 1.00 0.00 N ATOM 1348 CA ASN A 98 11.779 -7.117 -10.750 1.00 0.00 C ATOM 1349 C ASN A 98 10.974 -8.257 -11.364 1.00 0.00 C ATOM 1350 O ASN A 98 10.005 -8.736 -10.774 1.00 0.00 O ATOM 1351 CB ASN A 98 12.534 -7.617 -9.517 1.00 0.00 C ATOM 1352 CG ASN A 98 13.824 -6.856 -9.281 1.00 0.00 C ATOM 1353 OD1 ASN A 98 14.892 -7.451 -9.140 1.00 0.00 O ATOM 1354 ND2 ASN A 98 13.730 -5.533 -9.237 1.00 0.00 N ATOM 0 H ASN A 98 10.695 -5.935 -9.397 1.00 0.00 H new ATOM 0 HA ASN A 98 12.498 -6.764 -11.490 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.894 -7.523 -8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.757 -8.677 -9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.564 -4.967 -9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.823 -5.082 -9.359 1.00 0.00 H new ATOM 1361 N ASN A 99 11.381 -8.688 -12.554 1.00 0.00 N ATOM 1362 CA ASN A 99 10.698 -9.773 -13.249 1.00 0.00 C ATOM 1363 C ASN A 99 11.471 -11.080 -13.110 1.00 0.00 C ATOM 1364 O ASN A 99 12.692 -11.078 -12.952 1.00 0.00 O ATOM 1365 CB ASN A 99 10.522 -9.427 -14.728 1.00 0.00 C ATOM 1366 CG ASN A 99 9.210 -8.717 -15.003 1.00 0.00 C ATOM 1367 OD1 ASN A 99 8.201 -8.978 -14.349 1.00 0.00 O ATOM 1368 ND2 ASN A 99 9.218 -7.813 -15.976 1.00 0.00 N ATOM 0 H ASN A 99 12.180 -8.302 -13.057 1.00 0.00 H new ATOM 0 HA ASN A 99 9.716 -9.902 -12.793 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.349 -8.795 -15.051 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.569 -10.341 -15.320 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.365 -7.304 -16.206 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.077 -7.628 -16.493 1.00 0.00 H new ATOM 1375 N GLN A 100 10.751 -12.196 -13.169 1.00 0.00 N ATOM 1376 CA GLN A 100 11.369 -13.511 -13.049 1.00 0.00 C ATOM 1377 C GLN A 100 12.072 -13.662 -11.703 1.00 0.00 C ATOM 1378 O GLN A 100 13.272 -13.328 -11.623 1.00 0.00 O ATOM 1379 CB GLN A 100 12.368 -13.734 -14.186 1.00 0.00 C ATOM 1380 CG GLN A 100 12.685 -15.199 -14.440 1.00 0.00 C ATOM 1381 CD GLN A 100 13.484 -15.825 -13.315 1.00 0.00 C ATOM 1382 OE1 GLN A 100 14.680 -15.572 -13.169 1.00 0.00 O ATOM 1383 NE2 GLN A 100 12.825 -16.651 -12.509 1.00 0.00 N ATOM 1384 OXT GLN A 100 11.415 -14.112 -10.741 1.00 0.00 O ATOM 0 H GLN A 100 9.740 -12.216 -13.299 1.00 0.00 H new ATOM 0 HA GLN A 100 10.581 -14.262 -13.114 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.970 -13.294 -15.100 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.293 -13.206 -13.954 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.754 -15.751 -14.571 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.243 -15.290 -15.372 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.834 -16.833 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.311 -17.103 -11.734 1.00 0.00 H new TER 1393 GLN A 100