USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 817 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 92 SER OG : rot 141:sc= 0.359 USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0.00951 USER MOD Set 2.1: A 76 TYR OH : rot 30:sc= 0.316 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -137:sc= 0.254 (180deg=-0.399) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -155:sc= -1.4! (180deg=-3.01!) USER MOD Set 3.2: A 85 CYS SG : rot -3:sc= 0.14 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0535 (180deg=-0.446) USER MOD Single : A 13 ASN : amide:sc= -5.81! C(o=-5.8!,f=-9.2!) USER MOD Single : A 14 THR OG1 : rot 36:sc= 0.346 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.76 K(o=-0.76,f=-2.2) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.251 USER MOD Single : A 24 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-5.5!) USER MOD Single : A 27 SER OG : rot 28:sc= 1.16 USER MOD Single : A 29 ASN : amide:sc= -1.62 X(o=-1.6,f=-2.1) USER MOD Single : A 30 THR OG1 : rot -90:sc= -4.31! USER MOD Single : A 31 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.28) USER MOD Single : A 35 GLN : amide:sc= 1.03 K(o=1,f=-5.8!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.757 K(o=-0.76,f=-2.1) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0211 (180deg=-0.164) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.141 (180deg=-1.39!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0.0874 (180deg=-0.0688) USER MOD Single : A 58 ASN :FLIP amide:sc= -3.43! C(o=-4.6!,f=-3.4!) USER MOD Single : A 63 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.61) USER MOD Single : A 66 ASN : amide:sc= -0.681 K(o=-0.68,f=-3.8!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0188 USER MOD Single : A 95 MET CE :methyl -158:sc= -0.248 (180deg=-0.996) USER MOD Single : A 101 LYS NZ :NH3+ -126:sc=-0.00506 (180deg=-0.0482) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 111 ASN : amide:sc= 0.588 K(o=0.59,f=-6.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 44:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 16.785 3.376 5.250 1.00 3.56 N ATOM 48 CA LYS A 5 15.466 3.499 5.845 1.00 3.21 C ATOM 49 C LYS A 5 14.674 2.232 5.625 1.00 2.60 C ATOM 50 O LYS A 5 14.680 1.677 4.527 1.00 2.48 O ATOM 51 CB LYS A 5 14.704 4.667 5.283 1.00 3.31 C ATOM 52 CG LYS A 5 13.662 5.246 6.229 1.00 3.91 C ATOM 53 CD LYS A 5 14.294 5.911 7.448 1.00 4.47 C ATOM 54 CE LYS A 5 14.801 7.320 7.152 1.00 5.34 C ATOM 55 NZ LYS A 5 15.918 7.346 6.166 1.00 5.99 N ATOM 0 HA LYS A 5 15.607 3.668 6.913 1.00 3.21 H new ATOM 0 HB2 LYS A 5 15.411 5.452 5.015 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.210 4.355 4.363 1.00 3.31 H new ATOM 0 HG2 LYS A 5 13.054 5.976 5.694 1.00 3.91 H new ATOM 0 HG3 LYS A 5 12.991 4.452 6.558 1.00 3.91 H new ATOM 0 HD2 LYS A 5 13.561 5.954 8.254 1.00 4.47 H new ATOM 0 HD3 LYS A 5 15.122 5.298 7.803 1.00 4.47 H new ATOM 0 HE2 LYS A 5 13.976 7.924 6.773 1.00 5.34 H new ATOM 0 HE3 LYS A 5 15.134 7.782 8.081 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 16.488 8.204 6.310 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 16.517 6.506 6.298 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 15.530 7.346 5.201 1.00 5.99 H new ATOM 69 N GLU A 6 14.022 1.762 6.667 1.00 2.54 N ATOM 70 CA GLU A 6 13.067 0.691 6.525 1.00 2.10 C ATOM 71 C GLU A 6 11.894 1.203 5.712 1.00 1.84 C ATOM 72 O GLU A 6 11.214 2.148 6.119 1.00 2.27 O ATOM 73 CB GLU A 6 12.591 0.189 7.887 1.00 2.49 C ATOM 74 CG GLU A 6 13.729 -0.156 8.826 1.00 2.96 C ATOM 75 CD GLU A 6 14.240 1.039 9.611 1.00 3.57 C ATOM 76 OE1 GLU A 6 15.072 1.801 9.080 1.00 4.01 O ATOM 77 OE2 GLU A 6 13.816 1.218 10.769 1.00 3.94 O ATOM 0 H GLU A 6 14.138 2.106 7.620 1.00 2.54 H new ATOM 0 HA GLU A 6 13.540 -0.150 6.017 1.00 2.10 H new ATOM 0 HB2 GLU A 6 11.965 0.952 8.350 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.966 -0.693 7.744 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.396 -0.925 9.523 1.00 2.96 H new ATOM 0 HG3 GLU A 6 14.550 -0.582 8.250 1.00 2.96 H new ATOM 84 N ILE A 7 11.671 0.597 4.565 1.00 1.34 N ATOM 85 CA ILE A 7 10.647 1.072 3.649 1.00 1.10 C ATOM 86 C ILE A 7 9.283 0.646 4.144 1.00 0.99 C ATOM 87 O ILE A 7 9.008 -0.540 4.311 1.00 1.30 O ATOM 88 CB ILE A 7 10.872 0.560 2.209 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.218 0.997 1.690 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.804 1.059 1.271 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.480 2.448 1.940 1.00 2.00 C ATOM 0 H ILE A 7 12.182 -0.224 4.242 1.00 1.34 H new ATOM 0 HA ILE A 7 10.707 2.160 3.620 1.00 1.10 H new ATOM 0 HB ILE A 7 10.828 -0.528 2.249 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.998 0.402 2.165 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.274 0.799 0.620 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.995 0.679 0.267 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.829 0.711 1.612 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.815 2.149 1.254 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.462 2.713 1.548 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.717 3.047 1.443 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.453 2.643 3.012 1.00 2.00 H new ATOM 103 N GLU A 8 8.441 1.624 4.403 1.00 0.87 N ATOM 104 CA GLU A 8 7.159 1.362 5.025 1.00 0.93 C ATOM 105 C GLU A 8 5.996 1.879 4.200 1.00 0.86 C ATOM 106 O GLU A 8 6.113 2.873 3.479 1.00 1.29 O ATOM 107 CB GLU A 8 7.133 1.918 6.444 1.00 1.41 C ATOM 108 CG GLU A 8 8.047 3.086 6.666 1.00 1.71 C ATOM 109 CD GLU A 8 8.020 3.572 8.099 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.489 4.673 8.348 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.519 2.846 8.987 1.00 2.71 O ATOM 0 H GLU A 8 8.620 2.606 4.193 1.00 0.87 H new ATOM 0 HA GLU A 8 7.036 0.280 5.077 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.113 2.218 6.685 1.00 1.41 H new ATOM 0 HB3 GLU A 8 7.404 1.123 7.138 1.00 1.41 H new ATOM 0 HG2 GLU A 8 9.065 2.803 6.400 1.00 1.71 H new ATOM 0 HG3 GLU A 8 7.759 3.901 6.003 1.00 1.71 H new ATOM 118 N ILE A 9 4.877 1.172 4.317 1.00 0.65 N ATOM 119 CA ILE A 9 3.738 1.350 3.434 1.00 0.68 C ATOM 120 C ILE A 9 2.455 1.507 4.235 1.00 0.53 C ATOM 121 O ILE A 9 2.056 0.593 4.944 1.00 0.68 O ATOM 122 CB ILE A 9 3.554 0.117 2.531 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.814 -0.700 2.429 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.140 0.527 1.156 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.824 -0.045 1.553 1.00 1.21 C ATOM 0 H ILE A 9 4.738 0.457 5.031 1.00 0.65 H new ATOM 0 HA ILE A 9 3.932 2.242 2.838 1.00 0.68 H new ATOM 0 HB ILE A 9 2.776 -0.493 2.991 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.235 -0.846 3.424 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.576 -1.688 2.035 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.015 -0.359 0.534 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.196 1.070 1.207 1.00 1.34 H new ATOM 0 HG23 ILE A 9 3.906 1.170 0.722 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.720 -0.664 1.504 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.412 0.077 0.551 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.081 0.932 1.962 1.00 1.21 H new ATOM 137 N VAL A 10 1.802 2.644 4.127 1.00 0.51 N ATOM 138 CA VAL A 10 0.536 2.833 4.814 1.00 0.46 C ATOM 139 C VAL A 10 -0.628 2.408 3.929 1.00 0.41 C ATOM 140 O VAL A 10 -0.658 2.698 2.732 1.00 0.44 O ATOM 141 CB VAL A 10 0.333 4.281 5.317 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.512 5.173 4.967 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.964 4.848 4.794 1.00 0.77 C ATOM 0 H VAL A 10 2.118 3.444 3.579 1.00 0.51 H new ATOM 0 HA VAL A 10 0.565 2.194 5.697 1.00 0.46 H new ATOM 0 HB VAL A 10 0.275 4.249 6.405 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.328 6.181 5.339 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.417 4.776 5.426 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.637 5.202 3.885 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -1.089 5.867 5.159 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.946 4.852 3.704 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.795 4.234 5.141 1.00 0.77 H new ATOM 153 N ILE A 11 -1.555 1.674 4.524 1.00 0.40 N ATOM 154 CA ILE A 11 -2.811 1.352 3.893 1.00 0.40 C ATOM 155 C ILE A 11 -3.923 2.052 4.651 1.00 0.44 C ATOM 156 O ILE A 11 -4.194 1.740 5.809 1.00 0.50 O ATOM 157 CB ILE A 11 -3.086 -0.171 3.871 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.997 -0.903 3.106 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.454 -0.462 3.269 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.792 -0.326 1.749 1.00 0.59 C ATOM 0 H ILE A 11 -1.450 1.287 5.462 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.766 1.688 2.857 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.082 -0.532 4.899 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.063 -0.854 3.667 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.261 -1.957 3.017 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.627 -1.538 3.263 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.225 0.026 3.865 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.490 -0.083 2.248 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.005 -0.877 1.234 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.718 -0.399 1.179 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.502 0.721 1.839 1.00 0.59 H new ATOM 172 N LYS A 12 -4.520 3.025 4.008 1.00 0.46 N ATOM 173 CA LYS A 12 -5.598 3.790 4.602 1.00 0.52 C ATOM 174 C LYS A 12 -6.896 3.452 3.888 1.00 0.50 C ATOM 175 O LYS A 12 -6.881 3.120 2.707 1.00 0.62 O ATOM 176 CB LYS A 12 -5.324 5.285 4.447 1.00 0.55 C ATOM 177 CG LYS A 12 -5.663 6.112 5.671 1.00 0.72 C ATOM 178 CD LYS A 12 -7.162 6.306 5.836 1.00 1.32 C ATOM 179 CE LYS A 12 -7.483 7.258 6.977 1.00 1.65 C ATOM 180 NZ LYS A 12 -6.895 8.609 6.760 1.00 2.08 N ATOM 0 H LYS A 12 -4.276 3.312 3.060 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.672 3.544 5.661 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.270 5.426 4.208 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.896 5.661 3.599 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.262 5.624 6.559 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -5.179 7.085 5.595 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -7.583 6.694 4.909 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -7.636 5.342 6.022 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -8.564 7.346 7.082 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -7.105 6.844 7.912 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -7.372 9.298 7.376 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -5.880 8.586 6.986 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -7.022 8.887 5.766 1.00 2.08 H new ATOM 194 N ASN A 13 -8.002 3.521 4.594 1.00 0.55 N ATOM 195 CA ASN A 13 -9.305 3.470 3.955 1.00 0.59 C ATOM 196 C ASN A 13 -10.126 4.641 4.457 1.00 0.58 C ATOM 197 O ASN A 13 -10.221 4.861 5.659 1.00 0.95 O ATOM 198 CB ASN A 13 -10.020 2.143 4.220 1.00 1.01 C ATOM 199 CG ASN A 13 -9.270 0.951 3.657 1.00 2.06 C ATOM 200 OD1 ASN A 13 -9.430 0.601 2.496 1.00 2.81 O ATOM 201 ND2 ASN A 13 -8.465 0.303 4.481 1.00 2.71 N ATOM 0 H ASN A 13 -8.029 3.612 5.610 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.177 3.538 2.875 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -10.148 2.012 5.295 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -11.018 2.179 3.782 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -7.953 -0.517 4.155 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -8.355 0.623 5.443 1.00 2.71 H new ATOM 208 N THR A 14 -10.681 5.416 3.540 1.00 0.47 N ATOM 209 CA THR A 14 -11.326 6.660 3.900 1.00 0.74 C ATOM 210 C THR A 14 -12.335 7.136 2.858 1.00 0.54 C ATOM 211 O THR A 14 -12.063 8.047 2.079 1.00 0.70 O ATOM 212 CB THR A 14 -10.277 7.758 4.133 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.880 9.054 4.229 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.312 7.735 3.002 1.00 1.78 C ATOM 0 H THR A 14 -10.696 5.203 2.543 1.00 0.47 H new ATOM 0 HA THR A 14 -11.877 6.463 4.819 1.00 0.74 H new ATOM 0 HB THR A 14 -9.769 7.563 5.077 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.741 8.981 4.691 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.559 8.509 3.150 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.827 6.760 2.958 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.842 7.919 2.068 1.00 1.78 H new ATOM 222 N LEU A 15 -13.491 6.503 2.800 1.00 0.49 N ATOM 223 CA LEU A 15 -14.567 7.050 2.022 1.00 0.68 C ATOM 224 C LEU A 15 -15.531 7.764 2.957 1.00 0.84 C ATOM 225 O LEU A 15 -16.034 8.850 2.675 1.00 1.18 O ATOM 226 CB LEU A 15 -15.352 5.993 1.245 1.00 0.88 C ATOM 227 CG LEU A 15 -14.574 5.203 0.206 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.259 4.771 0.716 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.385 4.035 -0.322 1.00 1.39 C ATOM 0 H LEU A 15 -13.700 5.625 3.276 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.120 7.727 1.294 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.779 5.290 1.960 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.186 6.485 0.746 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.383 5.872 -0.633 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.735 4.210 -0.058 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.670 5.646 0.991 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.399 4.138 1.592 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.799 3.491 -1.063 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.639 3.367 0.501 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.300 4.406 -0.784 1.00 1.39 H new ATOM 241 N GLY A 16 -15.758 7.108 4.089 1.00 0.72 N ATOM 242 CA GLY A 16 -16.717 7.556 5.065 1.00 0.87 C ATOM 243 C GLY A 16 -16.935 6.489 6.110 1.00 0.77 C ATOM 244 O GLY A 16 -16.209 5.492 6.109 1.00 1.27 O ATOM 0 H GLY A 16 -15.275 6.248 4.347 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -16.364 8.472 5.538 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.661 7.794 4.575 1.00 0.87 H new ATOM 248 N PRO A 17 -17.932 6.664 6.991 1.00 0.67 N ATOM 249 CA PRO A 17 -18.122 5.832 8.186 1.00 0.76 C ATOM 250 C PRO A 17 -17.847 4.345 7.969 1.00 0.88 C ATOM 251 O PRO A 17 -18.525 3.683 7.179 1.00 1.27 O ATOM 252 CB PRO A 17 -19.590 6.060 8.526 1.00 1.02 C ATOM 253 CG PRO A 17 -19.859 7.454 8.079 1.00 1.42 C ATOM 254 CD PRO A 17 -18.983 7.693 6.877 1.00 1.13 C ATOM 0 HA PRO A 17 -17.420 6.108 8.973 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -20.233 5.346 8.011 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.774 5.942 9.594 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.911 7.584 7.825 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -19.633 8.167 8.872 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -19.543 7.590 5.948 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.560 8.698 6.885 1.00 1.13 H new ATOM 262 N SER A 18 -16.832 3.851 8.672 1.00 1.06 N ATOM 263 CA SER A 18 -16.443 2.445 8.634 1.00 1.31 C ATOM 264 C SER A 18 -16.157 1.967 7.212 1.00 1.10 C ATOM 265 O SER A 18 -16.838 1.089 6.683 1.00 1.50 O ATOM 266 CB SER A 18 -17.517 1.580 9.293 1.00 1.75 C ATOM 267 OG SER A 18 -17.728 1.985 10.637 1.00 2.18 O ATOM 0 H SER A 18 -16.252 4.420 9.289 1.00 1.06 H new ATOM 0 HA SER A 18 -15.515 2.345 9.197 1.00 1.31 H new ATOM 0 HB2 SER A 18 -18.449 1.658 8.733 1.00 1.75 H new ATOM 0 HB3 SER A 18 -17.216 0.533 9.266 1.00 1.75 H new ATOM 0 HG SER A 18 -18.420 1.422 11.044 1.00 2.18 H new ATOM 273 N ARG A 19 -15.156 2.566 6.587 1.00 0.81 N ATOM 274 CA ARG A 19 -14.677 2.093 5.301 1.00 0.66 C ATOM 275 C ARG A 19 -13.543 1.116 5.511 1.00 0.64 C ATOM 276 O ARG A 19 -12.502 1.473 6.049 1.00 1.02 O ATOM 277 CB ARG A 19 -14.238 3.257 4.416 1.00 0.68 C ATOM 278 CG ARG A 19 -15.093 3.425 3.184 1.00 1.15 C ATOM 279 CD ARG A 19 -16.579 3.604 3.508 1.00 1.94 C ATOM 280 NE ARG A 19 -17.228 2.362 3.938 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.014 1.620 3.157 1.00 3.32 C ATOM 282 NH1 ARG A 19 -18.249 1.979 1.900 1.00 3.76 N ATOM 283 NH2 ARG A 19 -18.567 0.515 3.636 1.00 3.99 N ATOM 0 H ARG A 19 -14.661 3.380 6.950 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.493 1.584 4.788 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.267 4.178 4.998 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.202 3.104 4.113 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.743 4.290 2.620 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -14.969 2.554 2.541 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.686 4.353 4.293 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.093 3.989 2.627 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.068 2.045 4.894 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -17.827 2.828 1.525 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -18.852 1.405 1.310 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -18.391 0.233 4.600 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -19.169 -0.054 3.040 1.00 3.99 H new ATOM 297 N ILE A 20 -13.763 -0.122 5.105 1.00 0.52 N ATOM 298 CA ILE A 20 -12.836 -1.196 5.416 1.00 0.51 C ATOM 299 C ILE A 20 -12.520 -2.021 4.181 1.00 0.54 C ATOM 300 O ILE A 20 -13.415 -2.610 3.571 1.00 0.76 O ATOM 301 CB ILE A 20 -13.404 -2.139 6.500 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.373 -1.381 7.410 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.268 -2.756 7.296 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.985 -1.361 8.862 1.00 0.83 C ATOM 0 H ILE A 20 -14.576 -0.409 4.559 1.00 0.52 H new ATOM 0 HA ILE A 20 -11.927 -0.724 5.787 1.00 0.51 H new ATOM 0 HB ILE A 20 -13.960 -2.944 6.019 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.455 -0.353 7.056 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.362 -1.829 7.318 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.676 -3.420 8.058 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.622 -3.325 6.627 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.688 -1.967 7.775 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.729 -0.802 9.430 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.933 -2.382 9.239 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.011 -0.884 8.972 1.00 0.83 H new ATOM 316 N LEU A 21 -11.253 -2.052 3.812 1.00 0.50 N ATOM 317 CA LEU A 21 -10.793 -2.902 2.729 1.00 0.55 C ATOM 318 C LEU A 21 -9.655 -3.781 3.217 1.00 0.52 C ATOM 319 O LEU A 21 -8.762 -3.324 3.935 1.00 0.75 O ATOM 320 CB LEU A 21 -10.377 -2.070 1.507 1.00 0.72 C ATOM 321 CG LEU A 21 -11.545 -1.478 0.711 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.032 -0.713 -0.494 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.509 -2.569 0.268 1.00 2.20 C ATOM 0 H LEU A 21 -10.519 -1.494 4.250 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.615 -3.543 2.411 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.732 -1.257 1.840 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.782 -2.697 0.843 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.082 -0.789 1.362 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.875 -0.299 -1.048 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.383 0.097 -0.161 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -10.469 -1.387 -1.140 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.329 -2.123 -0.295 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -11.983 -3.285 -0.363 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -12.907 -3.081 1.144 1.00 2.20 H new ATOM 335 N GLN A 22 -9.721 -5.046 2.850 1.00 0.47 N ATOM 336 CA GLN A 22 -8.781 -6.042 3.308 1.00 0.47 C ATOM 337 C GLN A 22 -7.660 -6.208 2.286 1.00 0.42 C ATOM 338 O GLN A 22 -7.891 -6.680 1.176 1.00 0.51 O ATOM 339 CB GLN A 22 -9.545 -7.349 3.524 1.00 0.60 C ATOM 340 CG GLN A 22 -8.674 -8.538 3.845 1.00 0.71 C ATOM 341 CD GLN A 22 -9.467 -9.830 3.891 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.646 -10.500 2.870 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.937 -10.200 5.071 1.00 1.34 N ATOM 0 H GLN A 22 -10.436 -5.411 2.220 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.319 -5.738 4.247 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.259 -7.208 4.336 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.123 -7.570 2.626 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.887 -8.623 3.096 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.184 -8.379 4.806 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -9.768 -9.619 5.892 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.468 -11.066 5.160 1.00 1.34 H new ATOM 352 N TYR A 23 -6.449 -5.816 2.658 1.00 0.42 N ATOM 353 CA TYR A 23 -5.343 -5.803 1.719 1.00 0.42 C ATOM 354 C TYR A 23 -4.449 -7.034 1.881 1.00 0.41 C ATOM 355 O TYR A 23 -3.975 -7.352 2.974 1.00 0.49 O ATOM 356 CB TYR A 23 -4.530 -4.508 1.840 1.00 0.52 C ATOM 357 CG TYR A 23 -3.719 -4.397 3.104 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.324 -4.110 4.312 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.348 -4.582 3.082 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.583 -4.008 5.475 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.596 -4.484 4.234 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.216 -4.196 5.429 1.00 0.63 C ATOM 363 OH TYR A 23 -1.466 -4.100 6.578 1.00 0.74 O ATOM 0 H TYR A 23 -6.211 -5.505 3.600 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.768 -5.840 0.716 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.859 -4.434 0.985 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.212 -3.659 1.785 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.393 -3.963 4.349 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.858 -4.807 2.146 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.070 -3.783 6.412 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.527 -4.632 4.199 1.00 0.63 H new ATOM 0 HH TYR A 23 -2.010 -4.369 7.347 1.00 0.74 H new ATOM 373 N HIS A 24 -4.262 -7.738 0.776 1.00 0.50 N ATOM 374 CA HIS A 24 -3.364 -8.880 0.713 1.00 0.57 C ATOM 375 C HIS A 24 -2.064 -8.461 0.053 1.00 0.60 C ATOM 376 O HIS A 24 -2.027 -8.270 -1.153 1.00 0.58 O ATOM 377 CB HIS A 24 -4.004 -10.015 -0.086 1.00 0.61 C ATOM 378 CG HIS A 24 -3.158 -11.252 -0.173 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.998 -11.428 0.559 1.00 0.75 N ATOM 380 CD2 HIS A 24 -3.313 -12.383 -0.903 1.00 0.85 C ATOM 381 CE1 HIS A 24 -1.485 -12.611 0.282 1.00 0.88 C ATOM 382 NE2 HIS A 24 -2.262 -13.207 -0.598 1.00 0.94 N ATOM 0 H HIS A 24 -4.731 -7.532 -0.106 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.166 -9.233 1.725 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.960 -10.272 0.370 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.217 -9.661 -1.095 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.602 -10.750 1.210 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -4.114 -12.595 -1.595 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.580 -13.022 0.706 1.00 0.88 H new ATOM 391 N CYS A 25 -1.005 -8.315 0.831 1.00 0.71 N ATOM 392 CA CYS A 25 0.212 -7.745 0.292 1.00 0.74 C ATOM 393 C CYS A 25 1.381 -8.735 0.123 1.00 0.91 C ATOM 394 O CYS A 25 2.098 -9.018 1.086 1.00 1.01 O ATOM 395 CB CYS A 25 0.629 -6.568 1.184 1.00 0.79 C ATOM 396 SG CYS A 25 1.504 -5.244 0.309 1.00 1.12 S ATOM 0 H CYS A 25 -0.964 -8.577 1.816 1.00 0.71 H new ATOM 0 HA CYS A 25 -0.016 -7.421 -0.723 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.261 -6.150 1.654 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.267 -6.942 1.985 1.00 0.79 H new ATOM 401 N ARG A 26 1.557 -9.279 -1.109 1.00 1.14 N ATOM 402 CA ARG A 26 2.848 -9.850 -1.522 1.00 1.38 C ATOM 403 C ARG A 26 3.068 -9.905 -3.081 1.00 1.87 C ATOM 404 O ARG A 26 2.567 -10.793 -3.719 1.00 2.24 O ATOM 405 CB ARG A 26 3.064 -11.241 -0.941 1.00 1.45 C ATOM 406 CG ARG A 26 1.971 -12.252 -1.251 1.00 2.13 C ATOM 407 CD ARG A 26 2.460 -13.677 -1.028 1.00 2.66 C ATOM 408 NE ARG A 26 2.740 -13.957 0.382 1.00 3.26 N ATOM 409 CZ ARG A 26 3.815 -14.618 0.823 1.00 4.00 C ATOM 410 NH1 ARG A 26 4.764 -15.012 -0.023 1.00 4.21 N ATOM 411 NH2 ARG A 26 3.946 -14.874 2.119 1.00 4.86 N ATOM 0 H ARG A 26 0.827 -9.330 -1.819 1.00 1.14 H new ATOM 0 HA ARG A 26 3.586 -9.157 -1.117 1.00 1.38 H new ATOM 0 HB2 ARG A 26 4.012 -11.629 -1.314 1.00 1.45 H new ATOM 0 HB3 ARG A 26 3.159 -11.154 0.141 1.00 1.45 H new ATOM 0 HG2 ARG A 26 1.104 -12.059 -0.619 1.00 2.13 H new ATOM 0 HG3 ARG A 26 1.645 -12.134 -2.284 1.00 2.13 H new ATOM 0 HD2 ARG A 26 1.708 -14.377 -1.392 1.00 2.66 H new ATOM 0 HD3 ARG A 26 3.363 -13.844 -1.615 1.00 2.66 H new ATOM 0 HE ARG A 26 2.069 -13.625 1.075 1.00 3.26 H new ATOM 0 HH11 ARG A 26 4.675 -14.810 -1.019 1.00 4.21 H new ATOM 0 HH12 ARG A 26 5.580 -15.516 0.325 1.00 4.21 H new ATOM 0 HH21 ARG A 26 3.228 -14.567 2.775 1.00 4.86 H new ATOM 0 HH22 ARG A 26 4.765 -15.378 2.459 1.00 4.86 H new ATOM 425 N SER A 27 3.748 -8.898 -3.662 1.00 2.10 N ATOM 426 CA SER A 27 4.375 -8.892 -5.018 1.00 2.66 C ATOM 427 C SER A 27 5.022 -7.499 -5.306 1.00 2.39 C ATOM 428 O SER A 27 4.359 -6.604 -5.813 1.00 2.70 O ATOM 429 CB SER A 27 3.386 -9.197 -6.143 1.00 3.73 C ATOM 430 OG SER A 27 3.000 -10.562 -6.168 1.00 4.43 O ATOM 0 H SER A 27 3.888 -8.011 -3.178 1.00 2.10 H new ATOM 0 HA SER A 27 5.125 -9.683 -5.004 1.00 2.66 H new ATOM 0 HB2 SER A 27 2.500 -8.574 -6.023 1.00 3.73 H new ATOM 0 HB3 SER A 27 3.835 -8.932 -7.100 1.00 3.73 H new ATOM 0 HG SER A 27 3.060 -10.935 -5.264 1.00 4.43 H new ATOM 436 N GLY A 28 6.303 -7.319 -5.063 1.00 2.45 N ATOM 437 CA GLY A 28 6.896 -5.974 -5.188 1.00 2.54 C ATOM 438 C GLY A 28 7.979 -5.641 -4.163 1.00 2.68 C ATOM 439 O GLY A 28 9.154 -5.799 -4.473 1.00 3.22 O ATOM 0 H GLY A 28 6.952 -8.055 -4.784 1.00 2.45 H new ATOM 0 HA2 GLY A 28 7.321 -5.873 -6.187 1.00 2.54 H new ATOM 0 HA3 GLY A 28 6.100 -5.234 -5.104 1.00 2.54 H new ATOM 443 N ASN A 29 7.629 -5.172 -2.946 1.00 2.60 N ATOM 444 CA ASN A 29 8.682 -4.926 -1.942 1.00 2.96 C ATOM 445 C ASN A 29 8.247 -4.954 -0.448 1.00 2.76 C ATOM 446 O ASN A 29 9.120 -4.940 0.418 1.00 3.04 O ATOM 447 CB ASN A 29 9.412 -3.616 -2.274 1.00 3.49 C ATOM 448 CG ASN A 29 10.528 -3.266 -1.300 1.00 4.17 C ATOM 449 OD1 ASN A 29 10.327 -2.510 -0.349 1.00 4.66 O ATOM 450 ND2 ASN A 29 11.709 -3.819 -1.529 1.00 4.63 N ATOM 0 H ASN A 29 6.676 -4.965 -2.646 1.00 2.60 H new ATOM 0 HA ASN A 29 9.348 -5.785 -2.024 1.00 2.96 H new ATOM 0 HB2 ASN A 29 9.830 -3.689 -3.278 1.00 3.49 H new ATOM 0 HB3 ASN A 29 8.688 -2.802 -2.288 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.493 -3.624 -0.906 1.00 4.63 H new ATOM 0 HD22 ASN A 29 11.835 -4.440 -2.328 1.00 4.63 H new ATOM 457 N THR A 30 6.955 -5.069 -0.082 1.00 2.45 N ATOM 458 CA THR A 30 6.634 -5.021 1.366 1.00 2.33 C ATOM 459 C THR A 30 5.438 -5.908 1.779 1.00 2.07 C ATOM 460 O THR A 30 4.288 -5.630 1.454 1.00 2.10 O ATOM 461 CB THR A 30 6.404 -3.591 1.807 1.00 2.45 C ATOM 462 OG1 THR A 30 6.041 -2.812 0.673 1.00 2.93 O ATOM 463 CG2 THR A 30 7.648 -2.992 2.434 1.00 2.70 C ATOM 0 H THR A 30 6.163 -5.188 -0.714 1.00 2.45 H new ATOM 0 HA THR A 30 7.503 -5.435 1.877 1.00 2.33 H new ATOM 0 HB THR A 30 5.610 -3.589 2.554 1.00 2.45 H new ATOM 0 HG1 THR A 30 6.848 -2.441 0.259 1.00 2.93 H new ATOM 0 HG21 THR A 30 7.444 -1.965 2.738 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.934 -3.579 3.307 1.00 2.70 H new ATOM 0 HG23 THR A 30 8.461 -3.001 1.709 1.00 2.70 H new ATOM 471 N ASN A 31 5.761 -6.997 2.494 1.00 1.97 N ATOM 472 CA ASN A 31 4.848 -8.134 2.740 1.00 1.75 C ATOM 473 C ASN A 31 3.976 -7.924 3.946 1.00 1.78 C ATOM 474 O ASN A 31 4.384 -7.318 4.929 1.00 2.34 O ATOM 475 CB ASN A 31 5.669 -9.416 2.961 1.00 2.09 C ATOM 476 CG ASN A 31 4.848 -10.593 3.456 1.00 2.43 C ATOM 477 OD1 ASN A 31 4.694 -10.794 4.661 1.00 2.89 O ATOM 478 ND2 ASN A 31 4.331 -11.387 2.533 1.00 2.98 N ATOM 0 H ASN A 31 6.677 -7.118 2.926 1.00 1.97 H new ATOM 0 HA ASN A 31 4.206 -8.219 1.863 1.00 1.75 H new ATOM 0 HB2 ASN A 31 6.154 -9.692 2.024 1.00 2.09 H new ATOM 0 HB3 ASN A 31 6.461 -9.209 3.681 1.00 2.09 H new ATOM 0 HD21 ASN A 31 3.782 -12.201 2.810 1.00 2.98 H new ATOM 0 HD22 ASN A 31 4.482 -11.186 1.544 1.00 2.98 H new ATOM 485 N VAL A 32 2.776 -8.448 3.887 1.00 1.39 N ATOM 486 CA VAL A 32 1.936 -8.439 5.078 1.00 1.52 C ATOM 487 C VAL A 32 1.148 -9.727 5.251 1.00 1.38 C ATOM 488 O VAL A 32 1.325 -10.442 6.236 1.00 2.10 O ATOM 489 CB VAL A 32 0.990 -7.222 5.101 1.00 2.13 C ATOM 490 CG1 VAL A 32 -0.101 -7.394 6.151 1.00 2.68 C ATOM 491 CG2 VAL A 32 1.785 -5.960 5.389 1.00 2.64 C ATOM 0 H VAL A 32 2.361 -8.875 3.059 1.00 1.39 H new ATOM 0 HA VAL A 32 2.619 -8.360 5.924 1.00 1.52 H new ATOM 0 HB VAL A 32 0.514 -7.141 4.124 1.00 2.13 H new ATOM 0 HG11 VAL A 32 -0.753 -6.521 6.145 1.00 2.68 H new ATOM 0 HG12 VAL A 32 -0.686 -8.285 5.925 1.00 2.68 H new ATOM 0 HG13 VAL A 32 0.355 -7.499 7.136 1.00 2.68 H new ATOM 0 HG21 VAL A 32 1.113 -5.102 5.404 1.00 2.64 H new ATOM 0 HG22 VAL A 32 2.277 -6.053 6.357 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.536 -5.818 4.612 1.00 2.64 H new ATOM 501 N GLY A 33 0.300 -10.035 4.297 1.00 1.00 N ATOM 502 CA GLY A 33 -0.647 -11.075 4.477 1.00 1.43 C ATOM 503 C GLY A 33 -1.961 -10.551 4.042 1.00 0.99 C ATOM 504 O GLY A 33 -2.049 -9.986 2.954 1.00 1.13 O ATOM 0 H GLY A 33 0.258 -9.570 3.390 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.370 -11.953 3.893 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.683 -11.386 5.521 1.00 1.43 H new ATOM 508 N VAL A 34 -2.970 -10.673 4.870 1.00 0.80 N ATOM 509 CA VAL A 34 -4.294 -10.252 4.477 1.00 0.56 C ATOM 510 C VAL A 34 -5.034 -9.644 5.665 1.00 0.63 C ATOM 511 O VAL A 34 -5.633 -10.353 6.473 1.00 1.03 O ATOM 512 CB VAL A 34 -5.079 -11.434 3.882 1.00 0.89 C ATOM 513 CG1 VAL A 34 -6.360 -10.950 3.231 1.00 1.17 C ATOM 514 CG2 VAL A 34 -4.205 -12.173 2.877 1.00 1.06 C ATOM 0 H VAL A 34 -2.902 -11.057 5.813 1.00 0.80 H new ATOM 0 HA VAL A 34 -4.203 -9.485 3.707 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.352 -12.121 4.683 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.901 -11.800 2.816 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.981 -10.453 3.976 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -6.120 -10.248 2.432 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.762 -13.010 2.456 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.915 -11.492 2.077 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.312 -12.547 3.377 1.00 1.06 H new ATOM 524 N GLN A 35 -4.968 -8.323 5.768 1.00 0.63 N ATOM 525 CA GLN A 35 -5.540 -7.599 6.899 1.00 0.85 C ATOM 526 C GLN A 35 -6.534 -6.554 6.433 1.00 0.70 C ATOM 527 O GLN A 35 -6.478 -6.105 5.295 1.00 0.82 O ATOM 528 CB GLN A 35 -4.442 -6.906 7.702 1.00 1.45 C ATOM 529 CG GLN A 35 -3.817 -7.781 8.764 1.00 2.06 C ATOM 530 CD GLN A 35 -2.865 -7.012 9.658 1.00 2.71 C ATOM 531 OE1 GLN A 35 -1.665 -6.930 9.394 1.00 3.16 O ATOM 532 NE2 GLN A 35 -3.400 -6.422 10.716 1.00 3.28 N ATOM 0 H GLN A 35 -4.519 -7.725 5.075 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.053 -8.328 7.526 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.663 -6.568 7.018 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.858 -6.017 8.176 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.603 -8.227 9.373 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -3.281 -8.601 8.286 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -4.399 -6.514 10.900 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -2.813 -5.876 11.346 1.00 3.28 H new ATOM 541 N TYR A 36 -7.430 -6.155 7.323 1.00 0.78 N ATOM 542 CA TYR A 36 -8.374 -5.088 7.013 1.00 0.73 C ATOM 543 C TYR A 36 -8.033 -3.831 7.798 1.00 0.78 C ATOM 544 O TYR A 36 -7.341 -3.897 8.814 1.00 1.06 O ATOM 545 CB TYR A 36 -9.813 -5.497 7.272 1.00 0.94 C ATOM 546 CG TYR A 36 -10.081 -5.868 8.690 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.652 -7.072 9.197 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.752 -5.001 9.508 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.886 -7.411 10.510 1.00 3.04 C ATOM 550 CE2 TYR A 36 -11.003 -5.317 10.826 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.591 -6.584 11.308 1.00 3.57 C ATOM 552 OH TYR A 36 -10.806 -6.854 12.645 1.00 4.60 O ATOM 0 H TYR A 36 -7.525 -6.549 8.259 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.284 -4.881 5.947 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.472 -4.676 6.989 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.063 -6.342 6.630 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.124 -7.762 8.555 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.091 -4.054 9.115 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.504 -8.342 10.902 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.503 -4.615 11.477 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.337 -6.133 13.043 1.00 4.60 H new ATOM 562 N LEU A 37 -8.520 -2.698 7.325 1.00 0.72 N ATOM 563 CA LEU A 37 -8.246 -1.418 7.959 1.00 0.89 C ATOM 564 C LEU A 37 -9.470 -0.519 7.810 1.00 0.70 C ATOM 565 O LEU A 37 -10.055 -0.437 6.730 1.00 0.61 O ATOM 566 CB LEU A 37 -6.989 -0.797 7.319 1.00 1.23 C ATOM 567 CG LEU A 37 -6.426 0.478 7.968 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.160 1.714 7.480 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.484 0.389 9.488 1.00 2.57 C ATOM 0 H LEU A 37 -9.112 -2.637 6.497 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.050 -1.544 9.024 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.202 -1.551 7.319 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.216 -0.573 6.277 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.381 0.565 7.669 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.739 2.599 7.957 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.052 1.798 6.399 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.217 1.633 7.734 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.080 1.304 9.922 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.519 0.263 9.806 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.895 -0.464 9.825 1.00 2.57 H new ATOM 581 N ASN A 38 -9.866 0.131 8.897 1.00 0.78 N ATOM 582 CA ASN A 38 -11.090 0.924 8.911 1.00 0.73 C ATOM 583 C ASN A 38 -10.818 2.383 8.622 1.00 0.68 C ATOM 584 O ASN A 38 -9.678 2.845 8.654 1.00 0.75 O ATOM 585 CB ASN A 38 -11.794 0.811 10.263 1.00 0.94 C ATOM 586 CG ASN A 38 -10.955 1.322 11.417 1.00 1.62 C ATOM 587 OD1 ASN A 38 -11.056 2.483 11.800 1.00 2.32 O ATOM 588 ND2 ASN A 38 -10.128 0.457 11.985 1.00 2.29 N ATOM 0 H ASN A 38 -9.357 0.125 9.781 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.732 0.525 8.125 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -12.729 1.370 10.226 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.053 -0.232 10.444 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -9.546 0.748 12.770 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -10.073 -0.500 11.637 1.00 2.29 H new ATOM 595 N PHE A 39 -11.888 3.110 8.363 1.00 0.68 N ATOM 596 CA PHE A 39 -11.778 4.530 8.086 1.00 0.72 C ATOM 597 C PHE A 39 -11.644 5.301 9.392 1.00 0.83 C ATOM 598 O PHE A 39 -12.631 5.697 10.013 1.00 1.66 O ATOM 599 CB PHE A 39 -12.958 5.043 7.236 1.00 0.85 C ATOM 600 CG PHE A 39 -13.030 6.546 7.158 1.00 1.07 C ATOM 601 CD1 PHE A 39 -11.914 7.288 6.827 1.00 1.35 C ATOM 602 CD2 PHE A 39 -14.225 7.209 7.364 1.00 1.43 C ATOM 603 CE1 PHE A 39 -11.983 8.661 6.699 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.300 8.584 7.246 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.145 9.323 7.115 1.00 2.03 C ATOM 0 H PHE A 39 -12.839 2.743 8.339 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.879 4.697 7.492 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -12.873 4.638 6.228 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.890 4.663 7.655 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -10.971 6.786 6.665 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -15.110 6.646 7.620 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -11.154 9.216 6.285 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -15.261 9.077 7.256 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.136 10.382 7.327 1.00 2.03 H new ATOM 615 N LYS A 40 -10.398 5.466 9.807 1.00 0.86 N ATOM 616 CA LYS A 40 -10.061 6.191 11.020 1.00 0.97 C ATOM 617 C LYS A 40 -8.587 6.556 10.989 1.00 0.72 C ATOM 618 O LYS A 40 -8.213 7.716 11.165 1.00 1.17 O ATOM 619 CB LYS A 40 -10.355 5.333 12.248 1.00 1.52 C ATOM 620 CG LYS A 40 -10.105 6.030 13.575 1.00 2.18 C ATOM 621 CD LYS A 40 -10.371 5.091 14.742 1.00 2.89 C ATOM 622 CE LYS A 40 -10.137 5.772 16.080 1.00 3.36 C ATOM 623 NZ LYS A 40 -8.729 6.219 16.243 1.00 3.76 N ATOM 0 H LYS A 40 -9.588 5.098 9.308 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.664 7.097 11.076 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.396 5.011 12.211 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -9.742 4.433 12.203 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -9.075 6.384 13.616 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.747 6.907 13.656 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -11.399 4.732 14.692 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -9.724 4.218 14.661 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -10.802 6.631 16.170 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -10.394 5.084 16.886 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -8.568 6.506 17.230 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -8.087 5.438 16.000 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -8.546 7.026 15.613 1.00 3.76 H new ATOM 637 N GLY A 41 -7.754 5.557 10.739 1.00 0.71 N ATOM 638 CA GLY A 41 -6.328 5.776 10.694 1.00 1.13 C ATOM 639 C GLY A 41 -5.663 5.017 9.566 1.00 0.94 C ATOM 640 O GLY A 41 -6.311 4.653 8.585 1.00 1.09 O ATOM 0 H GLY A 41 -8.045 4.595 10.566 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.130 6.842 10.577 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.886 5.472 11.643 1.00 1.13 H new ATOM 644 N THR A 42 -4.374 4.781 9.714 1.00 0.82 N ATOM 645 CA THR A 42 -3.584 4.089 8.711 1.00 0.68 C ATOM 646 C THR A 42 -3.129 2.730 9.223 1.00 0.65 C ATOM 647 O THR A 42 -3.237 2.432 10.413 1.00 0.75 O ATOM 648 CB THR A 42 -2.355 4.925 8.339 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.831 5.572 9.507 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.721 5.958 7.293 1.00 0.71 C ATOM 0 H THR A 42 -3.842 5.065 10.537 1.00 0.82 H new ATOM 0 HA THR A 42 -4.210 3.944 7.830 1.00 0.68 H new ATOM 0 HB THR A 42 -1.592 4.265 7.927 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.045 6.103 9.262 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.839 6.545 7.037 1.00 0.71 H new ATOM 0 HG22 THR A 42 -3.094 5.456 6.400 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.494 6.617 7.688 1.00 0.71 H new ATOM 658 N ARG A 43 -2.621 1.919 8.321 1.00 0.58 N ATOM 659 CA ARG A 43 -2.083 0.616 8.659 1.00 0.58 C ATOM 660 C ARG A 43 -0.749 0.474 7.960 1.00 0.52 C ATOM 661 O ARG A 43 -0.698 0.353 6.739 1.00 0.50 O ATOM 662 CB ARG A 43 -3.050 -0.482 8.229 1.00 0.67 C ATOM 663 CG ARG A 43 -2.519 -1.892 8.415 1.00 0.86 C ATOM 664 CD ARG A 43 -2.181 -2.187 9.866 1.00 1.27 C ATOM 665 NE ARG A 43 -1.639 -3.533 10.030 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.779 -3.880 10.986 1.00 2.26 C ATOM 667 NH1 ARG A 43 -0.350 -2.976 11.860 1.00 2.74 N ATOM 668 NH2 ARG A 43 -0.345 -5.130 11.061 1.00 3.01 N ATOM 0 H ARG A 43 -2.568 2.144 7.328 1.00 0.58 H new ATOM 0 HA ARG A 43 -1.947 0.522 9.736 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.975 -0.377 8.796 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.302 -0.337 7.178 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.262 -2.608 8.063 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -1.629 -2.028 7.801 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -1.457 -1.456 10.227 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.076 -2.078 10.478 1.00 1.27 H new ATOM 0 HE ARG A 43 -1.938 -4.252 9.371 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -0.679 -2.012 11.800 1.00 2.74 H new ATOM 0 HH12 ARG A 43 0.309 -3.246 12.591 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.670 -5.824 10.387 1.00 3.01 H new ATOM 0 HH22 ARG A 43 0.314 -5.398 11.792 1.00 3.01 H new ATOM 682 N ILE A 44 0.328 0.516 8.719 1.00 0.52 N ATOM 683 CA ILE A 44 1.630 0.695 8.120 1.00 0.51 C ATOM 684 C ILE A 44 2.464 -0.569 8.129 1.00 0.58 C ATOM 685 O ILE A 44 2.618 -1.252 9.142 1.00 0.66 O ATOM 686 CB ILE A 44 2.427 1.853 8.763 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.609 3.138 8.727 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.726 2.082 8.006 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.655 3.308 9.892 1.00 0.61 C ATOM 0 H ILE A 44 0.327 0.430 9.735 1.00 0.52 H new ATOM 0 HA ILE A 44 1.425 0.955 7.081 1.00 0.51 H new ATOM 0 HB ILE A 44 2.646 1.583 9.796 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.291 3.988 8.705 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.038 3.164 7.799 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.278 2.900 8.469 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.329 1.175 8.036 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.503 2.336 6.970 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.114 4.248 9.785 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.055 2.481 9.905 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.218 3.317 10.825 1.00 0.61 H new ATOM 701 N ILE A 45 2.959 -0.864 6.952 1.00 0.61 N ATOM 702 CA ILE A 45 3.928 -1.905 6.708 1.00 0.74 C ATOM 703 C ILE A 45 5.313 -1.363 6.929 1.00 0.77 C ATOM 704 O ILE A 45 5.473 -0.162 6.980 1.00 0.79 O ATOM 705 CB ILE A 45 3.821 -2.361 5.281 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.428 -2.782 5.030 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.763 -3.494 4.959 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.174 -3.026 3.582 1.00 1.20 C ATOM 0 H ILE A 45 2.687 -0.366 6.104 1.00 0.61 H new ATOM 0 HA ILE A 45 3.737 -2.737 7.386 1.00 0.74 H new ATOM 0 HB ILE A 45 4.102 -1.528 4.637 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.216 -3.690 5.594 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.745 -2.014 5.394 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.642 -3.782 3.915 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.790 -3.173 5.130 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.538 -4.347 5.599 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.138 -3.334 3.441 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.360 -2.110 3.021 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.838 -3.813 3.224 1.00 1.20 H new ATOM 720 N LYS A 46 6.296 -2.219 7.079 1.00 0.90 N ATOM 721 CA LYS A 46 7.683 -1.761 7.017 1.00 0.97 C ATOM 722 C LYS A 46 8.654 -2.906 6.788 1.00 1.10 C ATOM 723 O LYS A 46 8.562 -3.959 7.422 1.00 1.20 O ATOM 724 CB LYS A 46 8.104 -0.968 8.262 1.00 1.10 C ATOM 725 CG LYS A 46 8.212 -1.783 9.542 1.00 1.35 C ATOM 726 CD LYS A 46 8.859 -0.981 10.667 1.00 1.85 C ATOM 727 CE LYS A 46 7.870 -0.069 11.391 1.00 2.11 C ATOM 728 NZ LYS A 46 7.265 0.965 10.505 1.00 2.65 N ATOM 0 H LYS A 46 6.177 -3.219 7.242 1.00 0.90 H new ATOM 0 HA LYS A 46 7.726 -1.089 6.160 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.068 -0.499 8.066 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.385 -0.164 8.421 1.00 1.10 H new ATOM 0 HG2 LYS A 46 7.219 -2.108 9.851 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.798 -2.683 9.353 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.306 -1.668 11.386 1.00 1.85 H new ATOM 0 HD3 LYS A 46 9.669 -0.378 10.257 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.075 -0.677 11.824 1.00 2.11 H new ATOM 0 HE3 LYS A 46 8.380 0.425 12.218 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 6.931 1.764 11.081 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.978 1.302 9.827 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 6.463 0.552 9.987 1.00 2.65 H new ATOM 742 N PHE A 47 9.589 -2.674 5.879 1.00 1.20 N ATOM 743 CA PHE A 47 10.605 -3.679 5.516 1.00 1.41 C ATOM 744 C PHE A 47 11.953 -3.014 5.303 1.00 1.59 C ATOM 745 O PHE A 47 12.079 -2.080 4.516 1.00 1.68 O ATOM 746 CB PHE A 47 10.216 -4.482 4.253 1.00 1.50 C ATOM 747 CG PHE A 47 9.165 -5.525 4.502 1.00 1.87 C ATOM 748 CD1 PHE A 47 7.875 -5.153 4.833 1.00 2.53 C ATOM 749 CD2 PHE A 47 9.469 -6.875 4.413 1.00 2.17 C ATOM 750 CE1 PHE A 47 6.914 -6.092 5.092 1.00 3.14 C ATOM 751 CE2 PHE A 47 8.507 -7.827 4.667 1.00 2.69 C ATOM 752 CZ PHE A 47 7.233 -7.434 5.017 1.00 3.10 C ATOM 0 H PHE A 47 9.674 -1.794 5.370 1.00 1.20 H new ATOM 0 HA PHE A 47 10.667 -4.381 6.347 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.857 -3.791 3.490 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.107 -4.965 3.851 1.00 1.50 H new ATOM 0 HD1 PHE A 47 7.622 -4.105 4.888 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.468 -7.182 4.142 1.00 2.17 H new ATOM 0 HE1 PHE A 47 5.912 -5.786 5.354 1.00 3.14 H new ATOM 0 HE2 PHE A 47 8.750 -8.877 4.592 1.00 2.69 H new ATOM 0 HZ PHE A 47 6.481 -8.178 5.234 1.00 3.10 H new ATOM 762 N LYS A 48 12.962 -3.503 6.004 1.00 1.83 N ATOM 763 CA LYS A 48 14.291 -2.916 5.929 1.00 2.13 C ATOM 764 C LYS A 48 15.184 -3.715 4.985 1.00 2.50 C ATOM 765 O LYS A 48 16.410 -3.585 5.004 1.00 3.01 O ATOM 766 CB LYS A 48 14.921 -2.866 7.314 1.00 2.46 C ATOM 767 CG LYS A 48 15.212 -4.239 7.901 1.00 3.10 C ATOM 768 CD LYS A 48 16.077 -4.149 9.149 1.00 3.81 C ATOM 769 CE LYS A 48 17.406 -3.458 8.868 1.00 4.36 C ATOM 770 NZ LYS A 48 18.120 -4.061 7.710 1.00 4.90 N ATOM 0 H LYS A 48 12.887 -4.304 6.631 1.00 1.83 H new ATOM 0 HA LYS A 48 14.194 -1.902 5.541 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.850 -2.298 7.261 1.00 2.46 H new ATOM 0 HB3 LYS A 48 14.255 -2.326 7.987 1.00 2.46 H new ATOM 0 HG2 LYS A 48 14.273 -4.736 8.145 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.714 -4.854 7.154 1.00 3.10 H new ATOM 0 HD2 LYS A 48 15.540 -3.603 9.925 1.00 3.81 H new ATOM 0 HD3 LYS A 48 16.263 -5.151 9.535 1.00 3.81 H new ATOM 0 HE2 LYS A 48 17.229 -2.400 8.673 1.00 4.36 H new ATOM 0 HE3 LYS A 48 18.039 -3.517 9.754 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 19.091 -3.690 7.670 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 18.148 -5.095 7.820 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 17.620 -3.820 6.830 1.00 4.90 H new ATOM 879 N ARG A 56 9.801 -8.981 -2.288 1.00 3.37 N ATOM 880 CA ARG A 56 8.873 -8.370 -3.203 1.00 2.70 C ATOM 881 C ARG A 56 7.415 -8.635 -2.817 1.00 2.24 C ATOM 882 O ARG A 56 6.928 -9.759 -2.919 1.00 2.47 O ATOM 883 CB ARG A 56 9.176 -8.860 -4.616 1.00 3.43 C ATOM 884 CG ARG A 56 9.234 -10.369 -4.769 1.00 4.15 C ATOM 885 CD ARG A 56 9.422 -10.758 -6.226 1.00 4.75 C ATOM 886 NE ARG A 56 8.299 -10.315 -7.053 1.00 5.53 N ATOM 887 CZ ARG A 56 8.367 -9.334 -7.958 1.00 6.18 C ATOM 888 NH1 ARG A 56 9.499 -8.666 -8.150 1.00 6.21 N ATOM 889 NH2 ARG A 56 7.295 -9.014 -8.669 1.00 7.08 N ATOM 0 HA ARG A 56 9.001 -7.288 -3.158 1.00 2.70 H new ATOM 0 HB2 ARG A 56 8.415 -8.470 -5.292 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.130 -8.440 -4.934 1.00 3.43 H new ATOM 0 HG2 ARG A 56 10.055 -10.768 -4.173 1.00 4.15 H new ATOM 0 HG3 ARG A 56 8.316 -10.813 -4.385 1.00 4.15 H new ATOM 0 HD2 ARG A 56 10.347 -10.321 -6.603 1.00 4.75 H new ATOM 0 HD3 ARG A 56 9.526 -11.840 -6.303 1.00 4.75 H new ATOM 0 HE ARG A 56 7.403 -10.787 -6.930 1.00 5.53 H new ATOM 0 HH11 ARG A 56 10.328 -8.900 -7.604 1.00 6.21 H new ATOM 0 HH12 ARG A 56 9.539 -7.919 -8.844 1.00 6.21 H new ATOM 0 HH21 ARG A 56 6.419 -9.516 -8.525 1.00 7.08 H new ATOM 0 HH22 ARG A 56 7.346 -8.265 -9.360 1.00 7.08 H new ATOM 903 N TRP A 57 6.695 -7.565 -2.408 1.00 1.83 N ATOM 904 CA TRP A 57 5.357 -7.697 -1.882 1.00 1.49 C ATOM 905 C TRP A 57 4.410 -6.528 -2.343 1.00 1.19 C ATOM 906 O TRP A 57 4.873 -5.416 -2.594 1.00 1.43 O ATOM 907 CB TRP A 57 5.464 -7.761 -0.398 1.00 1.69 C ATOM 908 CG TRP A 57 6.756 -8.408 0.097 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.874 -7.755 0.523 1.00 1.56 C ATOM 910 CD2 TRP A 57 7.063 -9.807 0.209 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.840 -8.628 0.906 1.00 1.85 N ATOM 912 CE2 TRP A 57 8.375 -9.906 0.721 1.00 2.70 C ATOM 913 CE3 TRP A 57 6.361 -10.979 -0.065 1.00 3.91 C ATOM 914 CZ2 TRP A 57 8.986 -11.132 0.959 1.00 3.65 C ATOM 915 CZ3 TRP A 57 6.970 -12.195 0.171 1.00 4.90 C ATOM 916 CH2 TRP A 57 8.271 -12.264 0.678 1.00 4.75 C ATOM 0 H TRP A 57 7.039 -6.605 -2.441 1.00 1.83 H new ATOM 0 HA TRP A 57 4.901 -8.607 -2.272 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.396 -6.751 0.006 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.615 -8.320 -0.005 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.978 -6.680 0.552 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.759 -8.376 1.271 1.00 1.85 H new ATOM 0 HE3 TRP A 57 5.355 -10.937 -0.456 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 9.990 -11.189 1.352 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 6.433 -13.108 -0.039 1.00 4.90 H new ATOM 0 HH2 TRP A 57 8.721 -13.230 0.851 1.00 4.75 H new ATOM 927 N ASN A 58 3.082 -6.832 -2.464 1.00 0.91 N ATOM 928 CA ASN A 58 2.082 -5.996 -3.192 1.00 0.71 C ATOM 929 C ASN A 58 0.715 -6.138 -2.545 1.00 0.59 C ATOM 930 O ASN A 58 0.245 -7.258 -2.396 1.00 0.71 O ATOM 931 CB ASN A 58 1.918 -6.502 -4.622 1.00 0.74 C ATOM 932 CG ASN A 58 1.065 -5.616 -5.508 1.00 1.23 C ATOM 933 OD1 ASN A 58 1.715 -4.830 -6.345 1.00 2.05 O flip ATOM 934 ND2 ASN A 58 -0.161 -5.680 -5.483 1.00 1.91 N flip ATOM 0 H ASN A 58 2.675 -7.673 -2.054 1.00 0.91 H new ATOM 0 HA ASN A 58 2.435 -4.965 -3.167 1.00 0.71 H new ATOM 0 HB2 ASN A 58 2.905 -6.604 -5.074 1.00 0.74 H new ATOM 0 HB3 ASN A 58 1.477 -7.498 -4.593 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.626 -6.301 -4.820 1.00 1.91 H new ATOM 0 HD22 ASN A 58 -0.715 -5.113 -6.125 1.00 1.91 H new ATOM 941 N CYS A 59 0.043 -5.044 -2.231 1.00 0.55 N ATOM 942 CA CYS A 59 -1.177 -5.128 -1.445 1.00 0.50 C ATOM 943 C CYS A 59 -2.400 -5.086 -2.350 1.00 0.44 C ATOM 944 O CYS A 59 -2.549 -4.184 -3.163 1.00 0.56 O ATOM 945 CB CYS A 59 -1.254 -3.994 -0.423 1.00 0.60 C ATOM 946 SG CYS A 59 0.291 -3.620 0.494 1.00 0.76 S ATOM 0 H CYS A 59 0.316 -4.100 -2.503 1.00 0.55 H new ATOM 0 HA CYS A 59 -1.160 -6.077 -0.910 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.573 -3.089 -0.940 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.031 -4.238 0.301 1.00 0.60 H new ATOM 951 N LEU A 60 -3.290 -6.050 -2.197 1.00 0.36 N ATOM 952 CA LEU A 60 -4.472 -6.115 -3.017 1.00 0.34 C ATOM 953 C LEU A 60 -5.658 -5.941 -2.116 1.00 0.29 C ATOM 954 O LEU A 60 -5.757 -6.608 -1.094 1.00 0.32 O ATOM 955 CB LEU A 60 -4.575 -7.446 -3.773 1.00 0.44 C ATOM 956 CG LEU A 60 -3.549 -7.656 -4.892 1.00 1.27 C ATOM 957 CD1 LEU A 60 -2.196 -8.065 -4.338 1.00 1.90 C ATOM 958 CD2 LEU A 60 -4.051 -8.691 -5.883 1.00 1.85 C ATOM 0 H LEU A 60 -3.210 -6.798 -1.508 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.431 -5.329 -3.771 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.473 -8.259 -3.055 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.574 -7.523 -4.202 1.00 0.44 H new ATOM 0 HG LEU A 60 -3.422 -6.705 -5.409 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -1.494 -8.205 -5.160 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -1.825 -7.286 -3.672 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -2.297 -8.998 -3.784 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -3.311 -8.829 -6.671 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.214 -9.638 -5.369 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -4.989 -8.350 -6.321 1.00 1.85 H new ATOM 970 N PHE A 61 -6.564 -5.080 -2.484 1.00 0.29 N ATOM 971 CA PHE A 61 -7.643 -4.757 -1.585 1.00 0.28 C ATOM 972 C PHE A 61 -8.856 -5.579 -1.962 1.00 0.37 C ATOM 973 O PHE A 61 -9.241 -5.607 -3.120 1.00 0.48 O ATOM 974 CB PHE A 61 -8.021 -3.270 -1.649 1.00 0.32 C ATOM 975 CG PHE A 61 -7.008 -2.295 -1.130 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.664 -2.608 -0.996 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.421 -1.024 -0.820 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.763 -1.663 -0.567 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.536 -0.075 -0.390 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.197 -0.385 -0.266 1.00 0.37 C ATOM 0 H PHE A 61 -6.582 -4.596 -3.381 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.311 -4.980 -0.571 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.235 -3.018 -2.688 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.946 -3.130 -1.090 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.322 -3.605 -1.231 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.466 -0.768 -0.918 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.718 -1.918 -0.465 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.885 0.918 -0.147 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.493 0.365 0.064 1.00 0.37 H new ATOM 990 N ARG A 62 -9.430 -6.267 -0.996 1.00 0.47 N ATOM 991 CA ARG A 62 -10.577 -7.119 -1.245 1.00 0.66 C ATOM 992 C ARG A 62 -11.554 -7.051 -0.077 1.00 0.89 C ATOM 993 O ARG A 62 -11.269 -6.428 0.948 1.00 1.05 O ATOM 994 CB ARG A 62 -10.120 -8.566 -1.447 1.00 0.84 C ATOM 995 CG ARG A 62 -9.422 -9.154 -0.232 1.00 1.49 C ATOM 996 CD ARG A 62 -8.940 -10.570 -0.492 1.00 1.88 C ATOM 997 NE ARG A 62 -10.037 -11.470 -0.858 1.00 2.29 N ATOM 998 CZ ARG A 62 -10.138 -12.732 -0.440 1.00 2.86 C ATOM 999 NH1 ARG A 62 -9.228 -13.243 0.377 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -11.151 -13.483 -0.845 1.00 3.63 N ATOM 0 H ARG A 62 -9.119 -6.253 -0.025 1.00 0.47 H new ATOM 0 HA ARG A 62 -11.079 -6.769 -2.147 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.985 -9.181 -1.693 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.445 -8.610 -2.301 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -8.574 -8.525 0.040 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -10.106 -9.152 0.617 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -8.199 -10.559 -1.292 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -8.441 -10.952 0.399 1.00 1.88 H new ATOM 0 HE ARG A 62 -10.768 -11.109 -1.470 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -8.444 -12.670 0.690 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -9.311 -14.209 0.693 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -11.853 -13.096 -1.476 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -11.229 -14.449 -0.526 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.699 -7.693 -0.240 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.682 -7.804 0.828 1.00 1.48 C ATOM 1016 C GLN A 63 -14.371 -9.163 0.723 1.00 2.09 C ATOM 1017 O GLN A 63 -15.495 -9.367 1.190 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.689 -6.646 0.729 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.715 -6.592 1.851 1.00 2.15 C ATOM 1020 CD GLN A 63 -15.093 -6.534 3.233 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -14.003 -5.997 3.424 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -15.791 -7.092 4.209 1.00 3.03 N ATOM 0 H GLN A 63 -12.973 -8.150 -1.110 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.198 -7.736 1.802 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -14.139 -5.705 0.714 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.216 -6.722 -0.222 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.351 -5.718 1.710 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -16.359 -7.469 1.787 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.691 -7.527 4.008 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -15.429 -7.087 5.162 1.00 3.03 H new ATOM 1031 N GLY A 64 -13.666 -10.103 0.109 1.00 2.55 N ATOM 1032 CA GLY A 64 -14.227 -11.413 -0.129 1.00 3.28 C ATOM 1033 C GLY A 64 -15.245 -11.380 -1.242 1.00 3.41 C ATOM 1034 O GLY A 64 -14.958 -10.868 -2.320 1.00 3.88 O ATOM 0 H GLY A 64 -12.712 -9.979 -0.229 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -13.430 -12.112 -0.383 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -14.695 -11.782 0.784 1.00 3.28 H new ATOM 1038 N ILE A 65 -16.434 -11.906 -0.949 1.00 3.49 N ATOM 1039 CA ILE A 65 -17.586 -11.905 -1.856 1.00 3.94 C ATOM 1040 C ILE A 65 -17.204 -12.113 -3.345 1.00 4.01 C ATOM 1041 O ILE A 65 -16.902 -13.239 -3.746 1.00 4.32 O ATOM 1042 CB ILE A 65 -18.499 -10.669 -1.613 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -19.662 -10.600 -2.611 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -17.694 -9.395 -1.606 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -20.665 -11.726 -2.451 1.00 5.57 C ATOM 0 H ILE A 65 -16.629 -12.355 -0.054 1.00 3.49 H new ATOM 0 HA ILE A 65 -18.180 -12.785 -1.609 1.00 3.94 H new ATOM 0 HB ILE A 65 -18.946 -10.787 -0.626 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -20.176 -9.646 -2.492 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -19.262 -10.622 -3.625 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -18.357 -8.547 -1.434 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -16.949 -9.440 -0.812 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -17.193 -9.276 -2.567 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -21.459 -11.613 -3.189 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -20.165 -12.683 -2.600 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -21.093 -11.692 -1.449 1.00 5.57 H new ATOM 1057 N ASN A 66 -17.208 -11.058 -4.153 1.00 4.06 N ATOM 1058 CA ASN A 66 -16.903 -11.167 -5.576 1.00 4.27 C ATOM 1059 C ASN A 66 -15.588 -10.472 -5.916 1.00 4.09 C ATOM 1060 O ASN A 66 -14.726 -10.290 -5.060 1.00 4.26 O ATOM 1061 CB ASN A 66 -18.031 -10.547 -6.410 1.00 4.76 C ATOM 1062 CG ASN A 66 -19.275 -11.408 -6.465 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -20.160 -11.293 -5.623 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -19.360 -12.262 -7.472 1.00 6.08 N ATOM 0 H ASN A 66 -17.421 -10.110 -3.843 1.00 4.06 H new ATOM 0 HA ASN A 66 -16.809 -12.227 -5.812 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -18.289 -9.573 -5.993 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -17.671 -10.374 -7.424 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -20.184 -12.855 -7.569 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -18.602 -12.327 -8.151 1.00 6.08 H new ATOM 1071 N MET A 67 -15.443 -10.086 -7.180 1.00 4.09 N ATOM 1072 CA MET A 67 -14.343 -9.225 -7.603 1.00 4.13 C ATOM 1073 C MET A 67 -14.646 -7.776 -7.228 1.00 3.60 C ATOM 1074 O MET A 67 -13.883 -6.860 -7.544 1.00 3.77 O ATOM 1075 CB MET A 67 -14.114 -9.339 -9.112 1.00 4.54 C ATOM 1076 CG MET A 67 -13.656 -10.717 -9.559 1.00 5.19 C ATOM 1077 SD MET A 67 -13.475 -10.842 -11.350 1.00 6.00 S ATOM 1078 CE MET A 67 -12.953 -12.548 -11.517 1.00 6.30 C ATOM 0 H MET A 67 -16.076 -10.357 -7.932 1.00 4.09 H new ATOM 0 HA MET A 67 -13.435 -9.547 -7.093 1.00 4.13 H new ATOM 0 HB2 MET A 67 -15.039 -9.088 -9.631 1.00 4.54 H new ATOM 0 HB3 MET A 67 -13.369 -8.603 -9.414 1.00 4.54 H new ATOM 0 HG2 MET A 67 -12.703 -10.951 -9.084 1.00 5.19 H new ATOM 0 HG3 MET A 67 -14.374 -11.463 -9.217 1.00 5.19 H new ATOM 0 HE1 MET A 67 -12.799 -12.780 -12.571 1.00 6.30 H new ATOM 0 HE2 MET A 67 -12.021 -12.698 -10.973 1.00 6.30 H new ATOM 0 HE3 MET A 67 -13.721 -13.205 -11.109 1.00 6.30 H new ATOM 1088 N LYS A 68 -15.789 -7.579 -6.580 1.00 3.30 N ATOM 1089 CA LYS A 68 -16.168 -6.280 -6.050 1.00 3.12 C ATOM 1090 C LYS A 68 -15.319 -5.950 -4.827 1.00 2.78 C ATOM 1091 O LYS A 68 -14.751 -6.846 -4.202 1.00 3.25 O ATOM 1092 CB LYS A 68 -17.649 -6.269 -5.666 1.00 3.71 C ATOM 1093 CG LYS A 68 -18.595 -6.491 -6.836 1.00 4.30 C ATOM 1094 CD LYS A 68 -20.046 -6.492 -6.377 1.00 4.85 C ATOM 1095 CE LYS A 68 -21.007 -6.618 -7.546 1.00 5.37 C ATOM 1096 NZ LYS A 68 -22.427 -6.588 -7.102 1.00 5.81 N ATOM 0 H LYS A 68 -16.475 -8.314 -6.409 1.00 3.30 H new ATOM 0 HA LYS A 68 -15.999 -5.529 -6.821 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -17.825 -7.042 -4.918 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -17.885 -5.313 -5.198 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.447 -5.709 -7.581 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -18.363 -7.440 -7.320 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -20.207 -7.317 -5.683 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -20.255 -5.572 -5.832 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -20.830 -5.806 -8.251 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -20.812 -7.550 -8.077 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -23.051 -6.677 -7.929 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -22.603 -7.378 -6.449 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -22.620 -5.688 -6.617 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.243 -4.662 -4.499 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.448 -4.181 -3.366 1.00 2.44 C ATOM 1112 C PHE A 69 -12.956 -4.483 -3.558 1.00 2.04 C ATOM 1113 O PHE A 69 -12.189 -4.493 -2.598 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.936 -4.803 -2.053 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.301 -4.344 -1.626 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.460 -3.174 -0.901 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.425 -5.082 -1.959 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -17.716 -2.749 -0.516 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.683 -4.661 -1.575 1.00 5.20 C ATOM 1120 CZ PHE A 69 -18.820 -3.499 -0.819 1.00 6.01 C ATOM 0 H PHE A 69 -15.728 -3.923 -5.008 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.577 -3.100 -3.318 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.946 -5.888 -2.159 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.222 -4.567 -1.264 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -15.593 -2.588 -0.634 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -17.316 -5.996 -2.525 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -17.828 -1.822 0.026 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -19.556 -5.230 -1.859 1.00 5.20 H new ATOM 0 HZ PHE A 69 -19.795 -3.191 -0.473 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.554 -4.719 -4.801 1.00 1.22 N ATOM 1131 CA PHE A 70 -11.194 -5.151 -5.105 1.00 0.92 C ATOM 1132 C PHE A 70 -10.337 -4.015 -5.668 1.00 0.79 C ATOM 1133 O PHE A 70 -10.850 -3.014 -6.167 1.00 1.19 O ATOM 1134 CB PHE A 70 -11.239 -6.294 -6.113 1.00 1.37 C ATOM 1135 CG PHE A 70 -10.007 -7.135 -6.091 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -9.669 -7.804 -4.939 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.183 -7.248 -7.197 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.547 -8.567 -4.873 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -8.047 -8.020 -7.142 1.00 3.59 C ATOM 1140 CZ PHE A 70 -7.723 -8.685 -5.974 1.00 3.63 C ATOM 0 H PHE A 70 -13.154 -4.618 -5.620 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.737 -5.479 -4.171 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -12.105 -6.922 -5.905 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -11.376 -5.884 -7.114 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -10.306 -7.722 -4.071 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -9.434 -6.727 -8.109 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -8.299 -9.082 -3.957 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -7.409 -8.107 -8.009 1.00 3.59 H new ATOM 0 HZ PHE A 70 -6.831 -9.292 -5.923 1.00 3.63 H new ATOM 1150 N THR A 71 -9.027 -4.195 -5.552 1.00 0.58 N ATOM 1151 CA THR A 71 -8.037 -3.353 -6.216 1.00 0.49 C ATOM 1152 C THR A 71 -6.649 -3.897 -5.951 1.00 0.40 C ATOM 1153 O THR A 71 -6.474 -4.805 -5.141 1.00 0.49 O ATOM 1154 CB THR A 71 -8.127 -1.853 -5.836 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.765 -1.057 -6.967 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.211 -1.471 -4.682 1.00 0.48 C ATOM 0 H THR A 71 -8.616 -4.939 -4.987 1.00 0.58 H new ATOM 0 HA THR A 71 -8.257 -3.391 -7.283 1.00 0.49 H new ATOM 0 HB THR A 71 -9.155 -1.673 -5.523 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.570 -0.825 -7.475 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.322 -0.408 -4.466 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.478 -2.051 -3.798 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.176 -1.680 -4.954 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.673 -3.353 -6.643 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.349 -3.927 -6.654 1.00 0.45 C ATOM 1166 C GLU A 72 -3.299 -2.830 -6.526 1.00 0.47 C ATOM 1167 O GLU A 72 -3.069 -2.069 -7.469 1.00 0.57 O ATOM 1168 CB GLU A 72 -4.190 -4.688 -7.958 1.00 0.63 C ATOM 1169 CG GLU A 72 -3.006 -5.640 -7.998 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.904 -6.372 -9.317 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -2.247 -5.851 -10.243 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -3.479 -7.475 -9.440 1.00 1.80 O ATOM 0 H GLU A 72 -5.774 -2.510 -7.208 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.213 -4.604 -5.811 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -5.102 -5.256 -8.145 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.089 -3.970 -8.772 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -2.087 -5.081 -7.823 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -3.097 -6.365 -7.189 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.663 -2.743 -5.367 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.779 -1.631 -5.081 1.00 0.52 C ATOM 1181 C VAL A 73 -0.385 -2.123 -4.738 1.00 0.64 C ATOM 1182 O VAL A 73 -0.203 -2.880 -3.787 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.281 -0.776 -3.904 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.891 0.666 -4.117 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.779 -0.900 -3.705 1.00 0.53 C ATOM 0 H VAL A 73 -2.744 -3.427 -4.615 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.759 -1.021 -5.984 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.808 -1.149 -2.996 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.249 1.267 -3.281 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.806 0.744 -4.181 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.336 1.030 -5.043 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.087 -0.279 -2.864 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.294 -0.570 -4.607 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -4.034 -1.940 -3.501 1.00 0.53 H new ATOM 1195 N GLU A 74 0.599 -1.699 -5.506 1.00 0.80 N ATOM 1196 CA GLU A 74 1.976 -2.031 -5.210 1.00 0.96 C ATOM 1197 C GLU A 74 2.371 -1.443 -3.870 1.00 0.98 C ATOM 1198 O GLU A 74 2.346 -0.226 -3.688 1.00 1.16 O ATOM 1199 CB GLU A 74 2.899 -1.486 -6.299 1.00 1.24 C ATOM 1200 CG GLU A 74 2.556 -1.964 -7.699 1.00 1.49 C ATOM 1201 CD GLU A 74 3.607 -1.572 -8.718 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.503 -2.395 -8.996 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.542 -0.443 -9.248 1.00 2.02 O ATOM 0 H GLU A 74 0.470 -1.124 -6.339 1.00 0.80 H new ATOM 0 HA GLU A 74 2.073 -3.116 -5.173 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.863 -0.397 -6.279 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.925 -1.775 -6.069 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.447 -3.048 -7.693 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.593 -1.548 -7.996 1.00 1.49 H new ATOM 1210 N ALA A 75 2.694 -2.330 -2.930 1.00 1.06 N ATOM 1211 CA ALA A 75 3.253 -1.928 -1.656 1.00 1.12 C ATOM 1212 C ALA A 75 4.420 -1.031 -1.921 1.00 1.43 C ATOM 1213 O ALA A 75 4.421 0.142 -1.561 1.00 1.80 O ATOM 1214 CB ALA A 75 3.730 -3.117 -0.836 1.00 1.02 C ATOM 0 H ALA A 75 2.574 -3.337 -3.036 1.00 1.06 H new ATOM 0 HA ALA A 75 2.474 -1.422 -1.086 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.141 -2.765 0.110 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.891 -3.785 -0.641 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.501 -3.654 -1.389 1.00 1.02 H new ATOM 1220 N TYR A 76 5.425 -1.581 -2.571 1.00 1.71 N ATOM 1221 CA TYR A 76 6.521 -0.757 -2.991 1.00 2.10 C ATOM 1222 C TYR A 76 7.211 -1.357 -4.203 1.00 2.93 C ATOM 1223 O TYR A 76 7.343 -2.572 -4.314 1.00 3.37 O ATOM 1224 CB TYR A 76 7.476 -0.559 -1.818 1.00 2.06 C ATOM 1225 CG TYR A 76 8.670 0.307 -2.164 1.00 2.42 C ATOM 1226 CD1 TYR A 76 9.900 -0.264 -2.446 1.00 3.02 C ATOM 1227 CD2 TYR A 76 8.578 1.692 -2.186 1.00 2.63 C ATOM 1228 CE1 TYR A 76 10.998 0.513 -2.737 1.00 3.55 C ATOM 1229 CE2 TYR A 76 9.669 2.477 -2.481 1.00 3.23 C ATOM 1230 CZ TYR A 76 10.838 1.905 -2.844 1.00 3.62 C ATOM 1231 OH TYR A 76 11.976 2.664 -3.036 1.00 4.28 O ATOM 0 H TYR A 76 5.500 -2.569 -2.811 1.00 1.71 H new ATOM 0 HA TYR A 76 6.152 0.222 -3.298 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.934 -0.105 -0.988 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.828 -1.532 -1.475 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.999 -1.339 -2.437 1.00 3.02 H new ATOM 0 HD2 TYR A 76 7.631 2.163 -1.967 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.968 0.060 -2.881 1.00 3.55 H new ATOM 0 HE2 TYR A 76 9.591 3.553 -2.422 1.00 3.23 H new ATOM 0 HH TYR A 76 12.641 2.138 -3.527 1.00 4.28 H new ATOM 1383 N CYS A 85 15.856 4.257 1.224 1.00 2.66 N ATOM 1384 CA CYS A 85 16.027 5.042 2.421 1.00 3.24 C ATOM 1385 C CYS A 85 15.353 6.389 2.293 1.00 3.77 C ATOM 1386 O CYS A 85 15.018 7.047 3.280 1.00 4.31 O ATOM 1387 CB CYS A 85 17.521 5.170 2.677 1.00 3.79 C ATOM 1388 SG CYS A 85 18.069 6.586 3.653 1.00 4.64 S ATOM 0 HA CYS A 85 15.552 4.552 3.271 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.857 4.263 3.179 1.00 3.79 H new ATOM 0 HB3 CYS A 85 18.028 5.207 1.713 1.00 3.79 H new ATOM 0 HG CYS A 85 17.047 7.338 3.939 1.00 4.64 H new ATOM 1393 N GLY A 86 15.155 6.764 1.065 1.00 4.00 N ATOM 1394 CA GLY A 86 14.499 8.016 0.741 1.00 4.75 C ATOM 1395 C GLY A 86 13.051 7.836 0.318 1.00 4.42 C ATOM 1396 O GLY A 86 12.473 8.720 -0.311 1.00 5.13 O ATOM 0 H GLY A 86 15.440 6.218 0.252 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.539 8.676 1.608 1.00 4.75 H new ATOM 0 HA3 GLY A 86 15.047 8.510 -0.061 1.00 4.75 H new ATOM 1400 N LYS A 87 12.457 6.695 0.649 1.00 3.51 N ATOM 1401 CA LYS A 87 11.093 6.407 0.215 1.00 3.25 C ATOM 1402 C LYS A 87 10.196 6.016 1.380 1.00 2.57 C ATOM 1403 O LYS A 87 10.628 5.346 2.317 1.00 2.57 O ATOM 1404 CB LYS A 87 11.056 5.287 -0.834 1.00 3.54 C ATOM 1405 CG LYS A 87 11.521 5.702 -2.226 1.00 4.49 C ATOM 1406 CD LYS A 87 13.035 5.666 -2.361 1.00 5.19 C ATOM 1407 CE LYS A 87 13.477 5.999 -3.778 1.00 6.18 C ATOM 1408 NZ LYS A 87 12.894 5.067 -4.782 1.00 6.95 N ATOM 0 H LYS A 87 12.891 5.962 1.210 1.00 3.51 H new ATOM 0 HA LYS A 87 10.718 7.330 -0.229 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.680 4.463 -0.488 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.037 4.907 -0.904 1.00 3.54 H new ATOM 0 HG2 LYS A 87 11.076 5.039 -2.968 1.00 4.49 H new ATOM 0 HG3 LYS A 87 11.163 6.709 -2.442 1.00 4.49 H new ATOM 0 HD2 LYS A 87 13.480 6.376 -1.664 1.00 5.19 H new ATOM 0 HD3 LYS A 87 13.402 4.677 -2.087 1.00 5.19 H new ATOM 0 HE2 LYS A 87 13.182 7.020 -4.018 1.00 6.18 H new ATOM 0 HE3 LYS A 87 14.565 5.959 -3.836 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 13.625 4.797 -5.471 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 12.540 4.215 -4.301 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 12.109 5.536 -5.277 1.00 6.95 H new ATOM 1422 N ARG A 88 8.947 6.453 1.302 1.00 2.48 N ATOM 1423 CA ARG A 88 7.909 6.042 2.231 1.00 2.17 C ATOM 1424 C ARG A 88 6.573 6.078 1.500 1.00 1.70 C ATOM 1425 O ARG A 88 6.151 7.135 1.021 1.00 2.18 O ATOM 1426 CB ARG A 88 7.873 6.968 3.445 1.00 3.14 C ATOM 1427 CG ARG A 88 7.214 6.345 4.664 1.00 3.80 C ATOM 1428 CD ARG A 88 7.213 7.299 5.847 1.00 4.78 C ATOM 1429 NE ARG A 88 8.500 7.977 6.002 1.00 5.43 N ATOM 1430 CZ ARG A 88 9.285 7.875 7.073 1.00 6.34 C ATOM 1431 NH1 ARG A 88 8.985 7.032 8.055 1.00 6.69 N ATOM 1432 NH2 ARG A 88 10.398 8.596 7.139 1.00 7.15 N ATOM 0 H ARG A 88 8.626 7.106 0.588 1.00 2.48 H new ATOM 0 HA ARG A 88 8.114 5.033 2.590 1.00 2.17 H new ATOM 0 HB2 ARG A 88 8.892 7.258 3.701 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.339 7.881 3.180 1.00 3.14 H new ATOM 0 HG2 ARG A 88 6.189 6.064 4.421 1.00 3.80 H new ATOM 0 HG3 ARG A 88 7.740 5.429 4.935 1.00 3.80 H new ATOM 0 HD2 ARG A 88 6.425 8.041 5.714 1.00 4.78 H new ATOM 0 HD3 ARG A 88 6.981 6.747 6.758 1.00 4.78 H new ATOM 0 HE ARG A 88 8.819 8.570 5.236 1.00 5.43 H new ATOM 0 HH11 ARG A 88 8.146 6.455 7.993 1.00 6.69 H new ATOM 0 HH12 ARG A 88 9.593 6.962 8.871 1.00 6.69 H new ATOM 0 HH21 ARG A 88 10.646 9.222 6.373 1.00 7.15 H new ATOM 0 HH22 ARG A 88 11.005 8.524 7.956 1.00 7.15 H new ATOM 1446 N TYR A 89 5.918 4.934 1.396 1.00 1.34 N ATOM 1447 CA TYR A 89 4.732 4.817 0.557 1.00 1.31 C ATOM 1448 C TYR A 89 3.447 4.808 1.371 1.00 1.05 C ATOM 1449 O TYR A 89 3.415 4.373 2.522 1.00 1.43 O ATOM 1450 CB TYR A 89 4.815 3.567 -0.320 1.00 2.13 C ATOM 1451 CG TYR A 89 5.528 3.793 -1.640 1.00 2.67 C ATOM 1452 CD1 TYR A 89 5.122 3.125 -2.789 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.594 4.681 -1.740 1.00 2.94 C ATOM 1454 CE1 TYR A 89 5.760 3.331 -3.998 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.236 4.892 -2.945 1.00 3.68 C ATOM 1456 CZ TYR A 89 6.816 4.215 -4.070 1.00 4.27 C ATOM 1457 OH TYR A 89 7.454 4.422 -5.273 1.00 5.18 O ATOM 0 H TYR A 89 6.184 4.076 1.879 1.00 1.34 H new ATOM 0 HA TYR A 89 4.704 5.700 -0.081 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.331 2.781 0.231 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.806 3.207 -0.520 1.00 2.13 H new ATOM 0 HD1 TYR A 89 4.294 2.433 -2.737 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.925 5.214 -0.861 1.00 2.94 H new ATOM 0 HE1 TYR A 89 5.433 2.802 -4.881 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.063 5.584 -3.005 1.00 3.68 H new ATOM 0 HH TYR A 89 6.818 4.291 -6.007 1.00 5.18 H new ATOM 1467 N GLU A 90 2.394 5.303 0.746 1.00 0.79 N ATOM 1468 CA GLU A 90 1.081 5.390 1.349 1.00 0.71 C ATOM 1469 C GLU A 90 0.020 5.216 0.284 1.00 0.53 C ATOM 1470 O GLU A 90 -0.037 5.982 -0.673 1.00 0.63 O ATOM 1471 CB GLU A 90 0.909 6.746 2.041 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.536 7.208 2.169 1.00 1.28 C ATOM 1473 CD GLU A 90 -0.639 8.600 2.762 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -0.757 9.580 1.998 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -0.591 8.721 4.007 1.00 2.07 O ATOM 0 H GLU A 90 2.430 5.660 -0.209 1.00 0.79 H new ATOM 0 HA GLU A 90 0.977 4.600 2.093 1.00 0.71 H new ATOM 0 HB2 GLU A 90 1.349 6.691 3.036 1.00 1.07 H new ATOM 0 HB3 GLU A 90 1.470 7.497 1.486 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.008 7.197 1.187 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.087 6.506 2.795 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.794 4.194 0.428 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.920 4.018 -0.456 1.00 0.43 C ATOM 1484 C LEU A 91 -3.172 4.055 0.374 1.00 0.43 C ATOM 1485 O LEU A 91 -3.191 3.592 1.515 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.894 2.710 -1.268 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.512 2.098 -1.606 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.378 3.098 -2.330 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.185 1.549 -0.373 1.00 1.02 C ATOM 0 H LEU A 91 -0.697 3.476 1.146 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.879 4.825 -1.188 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.466 1.963 -0.718 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.420 2.887 -2.206 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.696 1.260 -2.278 1.00 0.93 H new ATOM 0 HD11 LEU A 91 1.340 2.635 -2.552 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.101 3.404 -3.260 1.00 1.82 H new ATOM 0 HD13 LEU A 91 0.533 3.972 -1.697 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.150 1.130 -0.657 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.336 2.353 0.348 1.00 1.02 H new ATOM 0 HD23 LEU A 91 -0.431 0.770 0.076 1.00 1.02 H new ATOM 1501 N SER A 92 -4.211 4.623 -0.173 1.00 0.43 N ATOM 1502 CA SER A 92 -5.418 4.809 0.581 1.00 0.48 C ATOM 1503 C SER A 92 -6.638 4.622 -0.271 1.00 0.43 C ATOM 1504 O SER A 92 -6.731 5.154 -1.376 1.00 0.51 O ATOM 1505 CB SER A 92 -5.415 6.196 1.180 1.00 0.59 C ATOM 1506 OG SER A 92 -4.250 6.409 1.963 1.00 1.23 O ATOM 0 H SER A 92 -4.246 4.964 -1.134 1.00 0.43 H new ATOM 0 HA SER A 92 -5.451 4.058 1.370 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.464 6.940 0.385 1.00 0.59 H new ATOM 0 HB3 SER A 92 -6.303 6.331 1.798 1.00 0.59 H new ATOM 0 HG SER A 92 -3.925 7.323 1.824 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.564 3.861 0.260 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.828 3.659 -0.373 1.00 0.54 C ATOM 1514 C ALA A 93 -9.766 4.731 0.048 1.00 0.62 C ATOM 1515 O ALA A 93 -10.380 4.657 1.094 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.378 2.320 -0.022 1.00 0.66 C ATOM 0 H ALA A 93 -7.454 3.367 1.145 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.698 3.699 -1.454 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.342 2.182 -0.513 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.688 1.545 -0.354 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.508 2.252 1.058 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.854 5.725 -0.768 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.591 6.925 -0.409 1.00 1.26 C ATOM 1524 C ARG A 94 -11.794 7.092 -1.248 1.00 0.70 C ATOM 1525 O ARG A 94 -11.885 6.531 -2.332 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.716 8.184 -0.530 1.00 2.35 C ATOM 1527 CG ARG A 94 -9.641 8.753 -1.938 1.00 3.37 C ATOM 1528 CD ARG A 94 -8.990 10.126 -1.975 1.00 4.38 C ATOM 1529 NE ARG A 94 -8.901 10.638 -3.344 1.00 5.11 N ATOM 1530 CZ ARG A 94 -8.676 11.913 -3.661 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -8.423 12.810 -2.716 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -8.701 12.284 -4.933 1.00 6.80 N ATOM 0 H ARG A 94 -9.429 5.747 -1.695 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.895 6.802 0.631 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -10.106 8.950 0.140 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -8.708 7.947 -0.191 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -9.078 8.070 -2.573 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -10.646 8.819 -2.354 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -9.565 10.820 -1.362 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -7.992 10.069 -1.541 1.00 4.38 H new ATOM 0 HE ARG A 94 -9.019 9.973 -4.108 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -8.399 12.526 -1.737 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -8.252 13.783 -2.969 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -8.891 11.596 -5.661 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -8.530 13.258 -5.184 1.00 6.80 H new ATOM 1546 N MET A 95 -12.723 7.804 -0.666 1.00 0.84 N ATOM 1547 CA MET A 95 -13.953 8.216 -1.296 1.00 1.41 C ATOM 1548 C MET A 95 -13.831 8.241 -2.831 1.00 1.48 C ATOM 1549 O MET A 95 -14.634 7.644 -3.553 1.00 2.12 O ATOM 1550 CB MET A 95 -14.304 9.623 -0.800 1.00 2.09 C ATOM 1551 CG MET A 95 -13.695 9.972 0.561 1.00 2.32 C ATOM 1552 SD MET A 95 -13.889 11.711 0.996 1.00 3.26 S ATOM 1553 CE MET A 95 -12.978 12.508 -0.324 1.00 3.27 C ATOM 0 H MET A 95 -12.642 8.126 0.298 1.00 0.84 H new ATOM 0 HA MET A 95 -14.731 7.499 -1.035 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.965 10.352 -1.536 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.388 9.715 -0.736 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.162 9.357 1.330 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.634 9.722 0.553 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.673 13.505 -0.005 1.00 3.27 H new ATOM 0 HE2 MET A 95 -12.094 11.918 -0.564 1.00 3.27 H new ATOM 0 HE3 MET A 95 -13.612 12.587 -1.207 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.784 8.925 -3.297 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.493 9.069 -4.720 1.00 1.45 C ATOM 1565 C ASP A 96 -11.808 7.828 -5.316 1.00 1.30 C ATOM 1566 O ASP A 96 -12.351 7.203 -6.226 1.00 1.97 O ATOM 1567 CB ASP A 96 -11.623 10.309 -4.928 1.00 1.76 C ATOM 1568 CG ASP A 96 -11.049 10.409 -6.323 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -11.816 10.673 -7.271 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -9.819 10.254 -6.473 1.00 2.86 O ATOM 0 H ASP A 96 -12.112 9.396 -2.692 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.442 9.179 -5.245 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -12.217 11.200 -4.722 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -10.806 10.297 -4.206 1.00 1.76 H new ATOM 1575 N ALA A 97 -10.629 7.457 -4.804 1.00 0.84 N ATOM 1576 CA ALA A 97 -9.856 6.359 -5.396 1.00 0.62 C ATOM 1577 C ALA A 97 -8.829 5.825 -4.419 1.00 0.60 C ATOM 1578 O ALA A 97 -8.767 6.232 -3.264 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.126 6.810 -6.666 1.00 0.55 C ATOM 0 H ALA A 97 -10.194 7.894 -3.992 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.570 5.574 -5.646 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.563 5.973 -7.079 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -9.853 7.156 -7.400 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.441 7.623 -6.423 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.034 4.906 -4.917 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.866 4.424 -4.226 1.00 0.34 C ATOM 1587 C ILE A 98 -5.693 5.291 -4.619 1.00 0.32 C ATOM 1588 O ILE A 98 -5.252 5.271 -5.771 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.578 2.959 -4.590 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.723 2.095 -4.069 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.224 2.517 -3.987 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.593 1.804 -2.617 1.00 0.50 C ATOM 0 H ILE A 98 -8.185 4.468 -5.826 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.034 4.473 -3.150 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.508 2.846 -5.672 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.670 2.602 -4.253 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.750 1.158 -4.624 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.030 1.477 -4.251 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.427 3.147 -4.382 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.260 2.615 -2.902 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.431 1.187 -2.293 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.659 1.273 -2.435 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.594 2.739 -2.057 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.210 6.081 -3.689 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.171 7.021 -4.027 1.00 0.53 C ATOM 1606 C TYR A 99 -2.811 6.524 -3.588 1.00 0.63 C ATOM 1607 O TYR A 99 -2.658 5.969 -2.505 1.00 0.86 O ATOM 1608 CB TYR A 99 -4.476 8.437 -3.509 1.00 0.79 C ATOM 1609 CG TYR A 99 -4.508 8.665 -2.014 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -5.713 8.870 -1.362 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -3.338 8.751 -1.270 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -5.757 9.152 -0.012 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -3.372 9.019 0.086 1.00 2.26 C ATOM 1614 CZ TYR A 99 -4.584 9.224 0.708 1.00 2.77 C ATOM 1615 OH TYR A 99 -4.626 9.502 2.056 1.00 3.67 O ATOM 0 H TYR A 99 -5.512 6.093 -2.715 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.145 7.097 -5.114 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -3.732 9.112 -3.932 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -5.444 8.736 -3.911 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -6.635 8.808 -1.921 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -2.386 8.606 -1.759 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -6.706 9.315 0.478 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -2.455 9.067 0.654 1.00 2.26 H new ATOM 0 HH TYR A 99 -3.715 9.516 2.416 1.00 3.67 H new ATOM 1625 N PHE A 100 -1.842 6.698 -4.472 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.489 6.221 -4.253 1.00 0.91 C ATOM 1627 C PHE A 100 0.389 7.378 -3.822 1.00 1.25 C ATOM 1628 O PHE A 100 0.352 8.449 -4.432 1.00 1.90 O ATOM 1629 CB PHE A 100 0.104 5.627 -5.539 1.00 1.20 C ATOM 1630 CG PHE A 100 -0.551 4.370 -6.054 1.00 1.73 C ATOM 1631 CD1 PHE A 100 0.191 3.341 -6.610 1.00 2.22 C ATOM 1632 CD2 PHE A 100 -1.924 4.211 -5.941 1.00 2.19 C ATOM 1633 CE1 PHE A 100 -0.420 2.183 -7.044 1.00 2.83 C ATOM 1634 CE2 PHE A 100 -2.542 3.056 -6.378 1.00 2.91 C ATOM 1635 CZ PHE A 100 -1.729 2.068 -7.075 1.00 3.12 C ATOM 0 H PHE A 100 -1.973 7.176 -5.364 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.525 5.450 -3.484 1.00 0.91 H new ATOM 0 HB2 PHE A 100 0.055 6.385 -6.321 1.00 1.20 H new ATOM 0 HB3 PHE A 100 1.159 5.417 -5.365 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.262 3.447 -6.705 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -2.518 5.001 -5.505 1.00 2.19 H new ATOM 0 HE1 PHE A 100 0.191 1.352 -7.365 1.00 2.83 H new ATOM 0 HE2 PHE A 100 -3.596 2.890 -6.208 1.00 2.91 H new ATOM 0 HZ PHE A 100 -2.195 1.253 -7.609 1.00 3.12 H new ATOM 1645 N LYS A 101 1.164 7.184 -2.779 1.00 1.07 N ATOM 1646 CA LYS A 101 2.138 8.179 -2.395 1.00 1.43 C ATOM 1647 C LYS A 101 3.539 7.691 -2.659 1.00 1.37 C ATOM 1648 O LYS A 101 4.008 6.715 -2.075 1.00 1.55 O ATOM 1649 CB LYS A 101 2.000 8.588 -0.940 1.00 2.06 C ATOM 1650 CG LYS A 101 3.055 9.587 -0.489 1.00 2.92 C ATOM 1651 CD LYS A 101 2.882 9.967 0.970 1.00 3.76 C ATOM 1652 CE LYS A 101 3.863 11.055 1.383 1.00 4.58 C ATOM 1653 NZ LYS A 101 5.277 10.597 1.313 1.00 5.15 N ATOM 0 H LYS A 101 1.140 6.354 -2.186 1.00 1.07 H new ATOM 0 HA LYS A 101 1.943 9.059 -3.008 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.011 9.020 -0.784 1.00 2.06 H new ATOM 0 HB3 LYS A 101 2.061 7.698 -0.313 1.00 2.06 H new ATOM 0 HG2 LYS A 101 4.047 9.161 -0.639 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.996 10.483 -1.108 1.00 2.92 H new ATOM 0 HD2 LYS A 101 1.862 10.312 1.139 1.00 3.76 H new ATOM 0 HD3 LYS A 101 3.028 9.087 1.596 1.00 3.76 H new ATOM 0 HE2 LYS A 101 3.732 11.923 0.737 1.00 4.58 H new ATOM 0 HE3 LYS A 101 3.638 11.377 2.400 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 5.741 10.761 2.229 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 5.302 9.582 1.089 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 5.778 11.128 0.572 1.00 5.15 H new ATOM 1667 N MET A 102 4.180 8.391 -3.551 1.00 1.76 N ATOM 1668 CA MET A 102 5.577 8.188 -3.845 1.00 2.21 C ATOM 1669 C MET A 102 6.330 9.337 -3.212 1.00 2.42 C ATOM 1670 O MET A 102 6.003 10.491 -3.468 1.00 2.62 O ATOM 1671 CB MET A 102 5.795 8.158 -5.359 1.00 2.82 C ATOM 1672 CG MET A 102 7.231 7.886 -5.764 1.00 3.61 C ATOM 1673 SD MET A 102 7.444 7.809 -7.554 1.00 4.57 S ATOM 1674 CE MET A 102 9.146 7.263 -7.660 1.00 5.14 C ATOM 0 H MET A 102 3.745 9.129 -4.104 1.00 1.76 H new ATOM 0 HA MET A 102 5.932 7.237 -3.448 1.00 2.21 H new ATOM 0 HB2 MET A 102 5.153 7.392 -5.794 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.483 9.113 -5.781 1.00 2.82 H new ATOM 0 HG2 MET A 102 7.873 8.668 -5.359 1.00 3.61 H new ATOM 0 HG3 MET A 102 7.557 6.945 -5.322 1.00 3.61 H new ATOM 0 HE1 MET A 102 9.432 7.166 -8.707 1.00 5.14 H new ATOM 0 HE2 MET A 102 9.793 7.992 -7.173 1.00 5.14 H new ATOM 0 HE3 MET A 102 9.250 6.298 -7.165 1.00 5.14 H new ATOM 1684 N ASP A 103 7.294 9.038 -2.355 1.00 2.92 N ATOM 1685 CA ASP A 103 7.935 10.088 -1.573 1.00 3.46 C ATOM 1686 C ASP A 103 8.662 11.066 -2.465 1.00 3.62 C ATOM 1687 O ASP A 103 8.930 10.778 -3.634 1.00 3.77 O ATOM 1688 CB ASP A 103 8.906 9.540 -0.559 1.00 4.39 C ATOM 1689 CG ASP A 103 8.919 10.359 0.718 1.00 5.03 C ATOM 1690 OD1 ASP A 103 9.717 11.312 0.808 1.00 5.64 O ATOM 1691 OD2 ASP A 103 8.137 10.047 1.643 1.00 5.25 O ATOM 0 H ASP A 103 7.646 8.096 -2.184 1.00 2.92 H new ATOM 0 HA ASP A 103 7.132 10.599 -1.041 1.00 3.46 H new ATOM 0 HB2 ASP A 103 8.642 8.509 -0.325 1.00 4.39 H new ATOM 0 HB3 ASP A 103 9.908 9.523 -0.989 1.00 4.39 H new ATOM 1696 N GLU A 104 8.989 12.211 -1.883 1.00 4.02 N ATOM 1697 CA GLU A 104 9.478 13.375 -2.618 1.00 4.43 C ATOM 1698 C GLU A 104 8.359 13.948 -3.497 1.00 4.28 C ATOM 1699 O GLU A 104 8.510 14.999 -4.124 1.00 4.73 O ATOM 1700 CB GLU A 104 10.713 13.025 -3.443 1.00 4.95 C ATOM 1701 CG GLU A 104 11.450 14.233 -3.996 1.00 5.34 C ATOM 1702 CD GLU A 104 12.685 13.859 -4.785 1.00 6.03 C ATOM 1703 OE1 GLU A 104 12.633 13.895 -6.033 1.00 6.26 O ATOM 1704 OE2 GLU A 104 13.707 13.499 -4.162 1.00 6.61 O ATOM 0 H GLU A 104 8.923 12.362 -0.876 1.00 4.02 H new ATOM 0 HA GLU A 104 9.777 14.140 -1.902 1.00 4.43 H new ATOM 0 HB2 GLU A 104 11.399 12.446 -2.824 1.00 4.95 H new ATOM 0 HB3 GLU A 104 10.414 12.384 -4.272 1.00 4.95 H new ATOM 0 HG2 GLU A 104 10.775 14.802 -4.635 1.00 5.34 H new ATOM 0 HG3 GLU A 104 11.736 14.887 -3.172 1.00 5.34 H new ATOM 1711 N ARG A 105 7.229 13.244 -3.521 1.00 3.93 N ATOM 1712 CA ARG A 105 6.046 13.676 -4.264 1.00 3.96 C ATOM 1713 C ARG A 105 4.802 13.634 -3.376 1.00 3.41 C ATOM 1714 O ARG A 105 4.773 12.921 -2.371 1.00 3.35 O ATOM 1715 CB ARG A 105 5.804 12.762 -5.468 1.00 4.49 C ATOM 1716 CG ARG A 105 6.870 12.819 -6.544 1.00 4.98 C ATOM 1717 CD ARG A 105 6.516 11.877 -7.682 1.00 5.81 C ATOM 1718 NE ARG A 105 7.412 12.007 -8.827 1.00 6.29 N ATOM 1719 CZ ARG A 105 7.204 11.403 -9.997 1.00 7.10 C ATOM 1720 NH1 ARG A 105 6.126 10.647 -10.174 1.00 7.50 N ATOM 1721 NH2 ARG A 105 8.064 11.563 -10.994 1.00 7.74 N ATOM 0 H ARG A 105 7.107 12.360 -3.027 1.00 3.93 H new ATOM 0 HA ARG A 105 6.227 14.697 -4.600 1.00 3.96 H new ATOM 0 HB2 ARG A 105 5.722 11.734 -5.114 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.845 13.022 -5.915 1.00 4.49 H new ATOM 0 HG2 ARG A 105 6.963 13.838 -6.921 1.00 4.98 H new ATOM 0 HG3 ARG A 105 7.837 12.545 -6.123 1.00 4.98 H new ATOM 0 HD2 ARG A 105 6.545 10.850 -7.319 1.00 5.81 H new ATOM 0 HD3 ARG A 105 5.493 12.072 -8.004 1.00 5.81 H new ATOM 0 HE ARG A 105 8.242 12.591 -8.726 1.00 6.29 H new ATOM 0 HH11 ARG A 105 5.456 10.528 -9.414 1.00 7.50 H new ATOM 0 HH12 ARG A 105 5.968 10.186 -11.070 1.00 7.50 H new ATOM 0 HH21 ARG A 105 8.888 12.150 -10.867 1.00 7.74 H new ATOM 0 HH22 ARG A 105 7.901 11.099 -11.888 1.00 7.74 H new ATOM 1735 N PRO A 106 3.763 14.408 -3.732 1.00 3.33 N ATOM 1736 CA PRO A 106 2.453 14.327 -3.080 1.00 3.10 C ATOM 1737 C PRO A 106 1.693 13.073 -3.516 1.00 2.43 C ATOM 1738 O PRO A 106 1.963 12.518 -4.582 1.00 2.29 O ATOM 1739 CB PRO A 106 1.718 15.589 -3.569 1.00 3.53 C ATOM 1740 CG PRO A 106 2.741 16.407 -4.287 1.00 4.00 C ATOM 1741 CD PRO A 106 3.779 15.440 -4.775 1.00 3.83 C ATOM 0 HA PRO A 106 2.536 14.270 -1.995 1.00 3.10 H new ATOM 0 HB2 PRO A 106 0.892 15.328 -4.231 1.00 3.53 H new ATOM 0 HB3 PRO A 106 1.293 16.142 -2.732 1.00 3.53 H new ATOM 0 HG2 PRO A 106 2.292 16.950 -5.119 1.00 4.00 H new ATOM 0 HG3 PRO A 106 3.182 17.150 -3.623 1.00 4.00 H new ATOM 0 HD2 PRO A 106 3.526 15.032 -5.754 1.00 3.83 H new ATOM 0 HD3 PRO A 106 4.759 15.908 -4.868 1.00 3.83 H new ATOM 1749 N PRO A 107 0.746 12.596 -2.691 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.066 11.417 -3.018 1.00 1.85 C ATOM 1751 C PRO A 107 -1.041 11.677 -4.167 1.00 1.51 C ATOM 1752 O PRO A 107 -1.718 12.709 -4.199 1.00 1.80 O ATOM 1753 CB PRO A 107 -0.833 11.142 -1.723 1.00 2.23 C ATOM 1754 CG PRO A 107 -0.873 12.450 -1.013 1.00 2.91 C ATOM 1755 CD PRO A 107 0.402 13.158 -1.372 1.00 2.93 C ATOM 0 HA PRO A 107 0.550 10.583 -3.352 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -1.838 10.775 -1.930 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -0.333 10.382 -1.122 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -1.742 13.033 -1.319 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -0.949 12.306 0.065 1.00 2.91 H new ATOM 0 HD2 PRO A 107 0.262 14.238 -1.420 1.00 2.93 H new ATOM 0 HD3 PRO A 107 1.186 12.970 -0.638 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.117 10.734 -5.101 1.00 1.09 N ATOM 1764 CA GLN A 108 -1.983 10.880 -6.263 1.00 0.94 C ATOM 1765 C GLN A 108 -2.876 9.656 -6.459 1.00 0.70 C ATOM 1766 O GLN A 108 -2.406 8.517 -6.425 1.00 0.64 O ATOM 1767 CB GLN A 108 -1.158 11.121 -7.530 1.00 1.18 C ATOM 1768 CG GLN A 108 -0.065 10.087 -7.767 1.00 1.72 C ATOM 1769 CD GLN A 108 0.756 10.368 -9.014 1.00 2.15 C ATOM 1770 OE1 GLN A 108 0.128 10.954 -10.021 1.00 2.57 O flip ATOM 1771 NE2 GLN A 108 1.943 10.044 -9.077 1.00 2.71 N flip ATOM 0 H GLN A 108 -0.589 9.862 -5.075 1.00 1.09 H new ATOM 0 HA GLN A 108 -2.621 11.745 -6.079 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -1.827 11.130 -8.390 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -0.702 12.109 -7.471 1.00 1.18 H new ATOM 0 HG2 GLN A 108 0.597 10.060 -6.901 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -0.519 9.100 -7.852 1.00 1.72 H new ATOM 0 HE21 GLN A 108 2.392 9.594 -8.279 1.00 2.71 H new ATOM 0 HE22 GLN A 108 2.477 10.226 -9.927 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.186 9.890 -6.633 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.160 8.847 -6.992 1.00 0.55 C ATOM 1782 C PRO A 109 -4.734 8.072 -8.233 1.00 0.56 C ATOM 1783 O PRO A 109 -4.821 8.587 -9.349 1.00 0.80 O ATOM 1784 CB PRO A 109 -6.419 9.650 -7.294 1.00 0.65 C ATOM 1785 CG PRO A 109 -6.292 10.866 -6.456 1.00 0.82 C ATOM 1786 CD PRO A 109 -4.833 11.205 -6.465 1.00 0.91 C ATOM 0 HA PRO A 109 -5.278 8.102 -6.205 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.485 9.902 -8.352 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.318 9.087 -7.044 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -6.888 11.685 -6.859 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -6.647 10.683 -5.442 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -4.582 11.885 -7.279 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -4.526 11.690 -5.538 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.285 6.842 -8.049 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.714 6.087 -9.154 1.00 0.61 C ATOM 1796 C LEU A 110 -4.450 4.780 -9.403 1.00 0.51 C ATOM 1797 O LEU A 110 -4.224 4.117 -10.414 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.245 5.803 -8.878 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.256 6.339 -9.921 1.00 1.22 C ATOM 1800 CD1 LEU A 110 0.176 6.093 -9.474 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.502 5.704 -11.281 1.00 1.61 C ATOM 0 H LEU A 110 -4.303 6.349 -7.156 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.817 6.696 -10.052 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -1.988 6.229 -7.908 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.111 4.724 -8.798 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.413 7.414 -10.013 1.00 1.22 H new ATOM 0 HD11 LEU A 110 0.864 6.480 -10.226 1.00 1.89 H new ATOM 0 HD12 LEU A 110 0.353 6.600 -8.525 1.00 1.89 H new ATOM 0 HD13 LEU A 110 0.339 5.023 -9.349 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.788 6.101 -12.002 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -1.379 4.624 -11.206 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -2.516 5.932 -11.611 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.345 4.422 -8.511 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.097 3.190 -8.657 1.00 0.48 C ATOM 1815 C ASN A 111 -7.405 3.418 -7.983 1.00 0.42 C ATOM 1816 O ASN A 111 -7.605 4.474 -7.414 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.375 1.967 -8.049 1.00 0.60 C ATOM 1818 CG ASN A 111 -5.731 0.682 -8.775 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -6.830 0.538 -9.312 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.808 -0.264 -8.798 1.00 1.75 N ATOM 0 H ASN A 111 -5.572 4.963 -7.677 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.217 2.955 -9.715 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.297 2.123 -8.093 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.641 1.875 -6.996 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.995 -1.148 -9.271 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -3.908 -0.110 -8.342 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.303 2.487 -8.057 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.541 2.640 -7.378 1.00 0.60 C ATOM 1829 C LYS A 112 -10.052 1.321 -6.882 1.00 0.72 C ATOM 1830 O LYS A 112 -9.928 0.288 -7.540 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.564 3.269 -8.293 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.821 2.495 -9.576 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.954 3.117 -10.371 1.00 1.68 C ATOM 1834 CE LYS A 112 -12.233 2.344 -11.646 1.00 2.31 C ATOM 1835 NZ LYS A 112 -13.328 2.964 -12.434 1.00 2.93 N ATOM 0 H LYS A 112 -8.199 1.617 -8.580 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.374 3.291 -6.520 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.504 3.372 -7.751 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.233 4.275 -8.550 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.915 2.477 -10.181 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.065 1.460 -9.337 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.855 3.147 -9.759 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.702 4.148 -10.618 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.328 2.301 -12.251 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.499 1.317 -11.398 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -13.491 2.409 -13.298 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -14.198 2.982 -11.865 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -13.063 3.936 -12.692 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.619 1.381 -5.711 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.322 0.269 -5.138 1.00 0.97 C ATOM 1851 C TRP A 113 -12.610 0.044 -5.895 1.00 1.02 C ATOM 1852 O TRP A 113 -12.946 0.782 -6.825 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.645 0.542 -3.685 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.231 1.912 -3.492 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.559 3.035 -3.109 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.592 2.317 -3.712 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.412 4.107 -3.087 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.662 3.694 -3.448 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.757 1.652 -4.108 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.845 4.419 -3.569 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.930 2.372 -4.227 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.966 3.742 -3.958 1.00 2.20 C ATOM 0 H TRP A 113 -10.606 2.213 -5.121 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.690 -0.616 -5.204 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.347 -0.208 -3.321 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.739 0.447 -3.087 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.509 3.074 -2.860 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.154 5.062 -2.840 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.740 0.593 -4.317 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -14.875 5.479 -3.363 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.834 1.867 -4.533 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.899 4.277 -4.060 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.332 -0.958 -5.478 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.553 -1.340 -6.136 1.00 1.50 C ATOM 1875 C ARG A 114 -15.663 -1.517 -5.122 1.00 1.82 C ATOM 1876 O ARG A 114 -15.420 -1.444 -3.918 1.00 2.41 O ATOM 1877 CB ARG A 114 -14.313 -2.648 -6.834 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.347 -2.568 -8.002 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.100 -3.939 -8.600 1.00 3.56 C ATOM 1880 NE ARG A 114 -11.986 -3.935 -9.544 1.00 4.38 N ATOM 1881 CZ ARG A 114 -11.498 -5.032 -10.119 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -12.046 -6.217 -9.868 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -10.465 -4.945 -10.947 1.00 6.29 N ATOM 0 H ARG A 114 -13.092 -1.534 -4.672 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.848 -0.567 -6.845 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.930 -3.367 -6.110 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -15.267 -3.035 -7.193 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.749 -1.902 -8.765 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.403 -2.138 -7.668 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -12.894 -4.651 -7.801 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.003 -4.281 -9.107 1.00 3.56 H new ATOM 0 HE ARG A 114 -11.557 -3.039 -9.776 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -12.842 -6.287 -9.234 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -11.671 -7.056 -10.310 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -10.044 -4.037 -11.143 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -10.092 -5.786 -11.387 1.00 6.29 H new ATOM 1897 N SER A 115 -16.856 -1.791 -5.629 1.00 2.02 N ATOM 1898 CA SER A 115 -18.025 -2.084 -4.813 1.00 2.76 C ATOM 1899 C SER A 115 -19.271 -2.088 -5.700 1.00 3.19 C ATOM 1900 O SER A 115 -19.922 -1.026 -5.839 1.00 3.60 O ATOM 1901 CB SER A 115 -18.171 -1.076 -3.660 1.00 3.33 C ATOM 1902 OG SER A 115 -18.342 0.249 -4.138 1.00 4.01 O ATOM 1903 OXT SER A 115 -19.570 -3.145 -6.292 1.00 3.62 O ATOM 0 H SER A 115 -17.042 -1.816 -6.632 1.00 2.02 H new ATOM 0 HA SER A 115 -17.902 -3.069 -4.362 1.00 2.76 H new ATOM 0 HB2 SER A 115 -19.025 -1.352 -3.041 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.288 -1.122 -3.023 1.00 3.33 H new ATOM 0 HG SER A 115 -18.982 0.249 -4.881 1.00 4.01 H new