USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 135 GLN : amide:sc= 0.802 K(o=2.1,f=-8.9!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -133:sc= 1.28 (180deg=-0.00507) USER MOD Set 2.1: A 112 CYS SG : rot -80:sc= -0.525 USER MOD Set 2.2: A 116 ASN : amide:sc= -0.918 K(o=-1.4,f=-3.3!) USER MOD Set 3.1: A 42 MET CE :methyl -111:sc= -0.179 (180deg=-3.09!) USER MOD Set 3.2: A 102 MET CE :methyl -173:sc= -0.0513 (180deg=-0.169) USER MOD Set 3.3: A 140 MET CE :methyl -140:sc= -0.592 (180deg=-0.889) USER MOD Set 4.1: A 38 GLN : amide:sc= 0.187 K(o=0.99,f=-0.32) USER MOD Set 4.2: A 99 SER OG : rot -68:sc= 0.8 USER MOD Set 5.1: A 36 THR OG1 : rot 176:sc= 0.98 USER MOD Set 5.2: A 97 SER OG : rot -111:sc= 1.29 USER MOD Set 6.1: A 95 TYR OH : rot -48:sc= 1.37 USER MOD Set 6.2: A 101 CYS SG : rot 63:sc= -1.18! USER MOD Set 7.1: A 24 SER OG : rot 178:sc= 0.00114 USER MOD Set 7.2: A 81 MET CE :methyl 175:sc=-0.00168 (180deg=-0.0655) USER MOD Set 8.1: A 73 TYR OH : rot -107:sc= 1.15 USER MOD Set 8.2: A 111 ASN : amide:sc= 0.516 K(o=1.7,f=0.58!) USER MOD Set 9.1: A 35 LYS NZ :NH3+ 177:sc= 0.693 (180deg=0) USER MOD Set 9.2: A 40 GLN : amide:sc= 1.7 K(o=4,f=-0.018) USER MOD Set 9.3: A 43 GLN : amide:sc= -0.739! C(o=4!,f=-3.2!) USER MOD Set 9.4: A 44 ASN : amide:sc= 1.3 K(o=4,f=-4.9!) USER MOD Set 9.5: A 48 LYS NZ :NH3+ 148:sc= 1 (180deg=0) USER MOD Set10.1: A 27 SER OG : rot 17:sc= 1.15 USER MOD Set10.2: A 92 ASN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Single : A 28 ASN : amide:sc= 1.67 K(o=1.7,f=-6.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00288 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 2.13 (180deg=1.5) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 TYR OH : rot 40:sc= 0.00878 USER MOD Single : A 49 THR OG1 : rot 110:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-5.9!) USER MOD Single : A 54 GLN : amide:sc= -0.951 X(o=-0.95,f=-0.71) USER MOD Single : A 60 TYR OH : rot 5:sc= 1.25 USER MOD Single : A 61 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.86) USER MOD Single : A 74 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-9.9!) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 83 MET CE :methyl 151:sc= -1.92 (180deg=-3.8!) USER MOD Single : A 85 THR OG1 : rot -112:sc= 0.558 USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= 1.22 (180deg=-0.0102) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0423 K(o=-0.042,f=-3.6!) USER MOD Single : A 94 TYR OH : rot 46:sc= 1.28 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 108 MET CE :methyl 174:sc= -0.0207 (180deg=-0.0481) USER MOD Single : A 110 THR OG1 : rot -85:sc= 0.795 USER MOD Single : A 113 TYR OH : rot 179:sc= 0.889 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -111:sc= 0.872 (180deg=-0.00284) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 125 MET CE :methyl -169:sc=-0.00267 (180deg=-0.252) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.9!) USER MOD Single : A 142 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.43) USER MOD Single : B 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 -5.997 -13.707 -2.353 1.00 5.93 N ATOM 2 CA PRO A 21 -4.810 -14.225 -1.639 1.00 5.16 C ATOM 3 C PRO A 21 -4.592 -13.467 -0.337 1.00 4.32 C ATOM 4 O PRO A 21 -4.662 -12.240 -0.305 1.00 4.31 O ATOM 5 CB PRO A 21 -3.593 -14.080 -2.536 1.00 4.92 C ATOM 6 CG PRO A 21 -4.046 -13.133 -3.584 1.00 5.41 C ATOM 7 CD PRO A 21 -5.540 -13.329 -3.711 1.00 6.18 C ATOM 0 HA PRO A 21 -4.968 -15.276 -1.396 1.00 5.16 H new ATOM 0 HB2 PRO A 21 -2.735 -13.692 -1.988 1.00 4.92 H new ATOM 0 HB3 PRO A 21 -3.292 -15.037 -2.963 1.00 4.92 H new ATOM 0 HG2 PRO A 21 -3.810 -12.105 -3.308 1.00 5.41 H new ATOM 0 HG3 PRO A 21 -3.545 -13.332 -4.531 1.00 5.41 H new ATOM 0 HD2 PRO A 21 -6.030 -12.417 -4.052 1.00 6.18 H new ATOM 0 HD3 PRO A 21 -5.775 -14.107 -4.437 1.00 6.18 H new ATOM 16 N LEU A 22 -4.334 -14.200 0.734 1.00 4.14 N ATOM 17 CA LEU A 22 -4.075 -13.596 2.027 1.00 3.85 C ATOM 18 C LEU A 22 -2.703 -14.025 2.522 1.00 3.48 C ATOM 19 O LEU A 22 -2.326 -15.195 2.393 1.00 4.01 O ATOM 20 CB LEU A 22 -5.164 -13.987 3.033 1.00 4.67 C ATOM 21 CG LEU A 22 -5.277 -15.485 3.334 1.00 5.12 C ATOM 22 CD1 LEU A 22 -5.048 -15.755 4.815 1.00 5.71 C ATOM 23 CD2 LEU A 22 -6.636 -16.013 2.902 1.00 5.61 C ATOM 0 H LEU A 22 -4.299 -15.219 0.731 1.00 4.14 H new ATOM 0 HA LEU A 22 -4.090 -12.511 1.924 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -4.977 -13.459 3.968 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -6.125 -13.636 2.656 1.00 4.67 H new ATOM 0 HG LEU A 22 -4.506 -16.007 2.767 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -5.133 -16.825 5.007 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -4.052 -15.413 5.097 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -5.795 -15.221 5.402 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -6.699 -17.078 3.123 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -7.421 -15.483 3.442 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -6.763 -15.856 1.831 1.00 5.61 H new ATOM 35 N GLY A 23 -1.953 -13.076 3.062 1.00 3.17 N ATOM 36 CA GLY A 23 -0.617 -13.366 3.539 1.00 3.45 C ATOM 37 C GLY A 23 0.344 -13.691 2.411 1.00 2.96 C ATOM 38 O GLY A 23 0.914 -14.784 2.367 1.00 3.32 O ATOM 0 H GLY A 23 -2.247 -12.106 3.179 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -0.240 -12.509 4.098 1.00 3.45 H new ATOM 0 HA3 GLY A 23 -0.656 -14.206 4.232 1.00 3.45 H new ATOM 42 N SER A 24 0.517 -12.748 1.491 1.00 2.37 N ATOM 43 CA SER A 24 1.452 -12.914 0.389 1.00 1.94 C ATOM 44 C SER A 24 2.891 -12.880 0.899 1.00 1.65 C ATOM 45 O SER A 24 3.126 -12.617 2.082 1.00 1.75 O ATOM 46 CB SER A 24 1.225 -11.833 -0.654 1.00 2.01 C ATOM 47 OG SER A 24 1.222 -10.540 -0.069 1.00 2.44 O ATOM 0 H SER A 24 0.019 -11.858 1.489 1.00 2.37 H new ATOM 0 HA SER A 24 1.280 -13.885 -0.075 1.00 1.94 H new ATOM 0 HB2 SER A 24 2.005 -11.888 -1.413 1.00 2.01 H new ATOM 0 HB3 SER A 24 0.275 -12.007 -1.160 1.00 2.01 H new ATOM 0 HG SER A 24 1.107 -9.864 -0.769 1.00 2.44 H new ATOM 53 N GLU A 25 3.841 -13.166 0.013 1.00 1.39 N ATOM 54 CA GLU A 25 5.253 -13.198 0.370 1.00 1.23 C ATOM 55 C GLU A 25 5.690 -11.951 1.124 1.00 1.05 C ATOM 56 O GLU A 25 5.667 -10.840 0.593 1.00 1.12 O ATOM 57 CB GLU A 25 6.107 -13.361 -0.879 1.00 1.48 C ATOM 58 CG GLU A 25 6.623 -14.768 -1.051 1.00 1.13 C ATOM 59 CD GLU A 25 7.503 -14.923 -2.273 1.00 1.28 C ATOM 60 OE1 GLU A 25 7.437 -14.062 -3.171 1.00 1.43 O ATOM 61 OE2 GLU A 25 8.261 -15.909 -2.342 1.00 1.64 O ATOM 0 H GLU A 25 3.654 -13.381 -0.966 1.00 1.39 H new ATOM 0 HA GLU A 25 5.393 -14.052 1.033 1.00 1.23 H new ATOM 0 HB2 GLU A 25 5.520 -13.084 -1.755 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.950 -12.672 -0.830 1.00 1.48 H new ATOM 0 HG2 GLU A 25 7.187 -15.055 -0.164 1.00 1.13 H new ATOM 0 HG3 GLU A 25 5.779 -15.453 -1.127 1.00 1.13 H new ATOM 68 N VAL A 26 6.100 -12.156 2.363 1.00 0.93 N ATOM 69 CA VAL A 26 6.582 -11.074 3.200 1.00 0.84 C ATOM 70 C VAL A 26 8.103 -11.123 3.289 1.00 0.83 C ATOM 71 O VAL A 26 8.751 -10.166 3.714 1.00 0.85 O ATOM 72 CB VAL A 26 5.952 -11.139 4.613 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.692 -12.120 5.511 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.909 -9.755 5.240 1.00 0.83 C ATOM 0 H VAL A 26 6.108 -13.071 2.814 1.00 0.93 H new ATOM 0 HA VAL A 26 6.284 -10.129 2.746 1.00 0.84 H new ATOM 0 HB VAL A 26 4.930 -11.503 4.507 1.00 0.83 H new ATOM 0 HG11 VAL A 26 6.222 -12.139 6.494 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.653 -13.116 5.071 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.732 -11.808 5.612 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.463 -9.819 6.233 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.922 -9.361 5.322 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.311 -9.091 4.616 1.00 0.83 H new ATOM 84 N SER A 27 8.660 -12.246 2.858 1.00 0.91 N ATOM 85 CA SER A 27 10.093 -12.460 2.855 1.00 1.00 C ATOM 86 C SER A 27 10.421 -13.666 1.995 1.00 1.07 C ATOM 87 O SER A 27 9.626 -14.602 1.897 1.00 1.19 O ATOM 88 CB SER A 27 10.615 -12.677 4.279 1.00 1.15 C ATOM 89 OG SER A 27 10.769 -11.444 4.957 1.00 1.61 O ATOM 0 H SER A 27 8.124 -13.036 2.499 1.00 0.91 H new ATOM 0 HA SER A 27 10.578 -11.574 2.445 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.924 -13.315 4.830 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.571 -13.199 4.244 1.00 1.15 H new ATOM 0 HG SER A 27 10.261 -10.748 4.490 1.00 1.61 H new ATOM 95 N ASN A 28 11.573 -13.624 1.358 1.00 1.07 N ATOM 96 CA ASN A 28 12.040 -14.728 0.536 1.00 1.18 C ATOM 97 C ASN A 28 13.564 -14.784 0.572 1.00 1.23 C ATOM 98 O ASN A 28 14.234 -13.790 0.304 1.00 1.12 O ATOM 99 CB ASN A 28 11.528 -14.580 -0.905 1.00 1.19 C ATOM 100 CG ASN A 28 11.883 -15.764 -1.792 1.00 1.39 C ATOM 101 OD1 ASN A 28 13.054 -16.043 -2.045 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.872 -16.458 -2.288 1.00 1.48 N ATOM 0 H ASN A 28 12.211 -12.829 1.393 1.00 1.07 H new ATOM 0 HA ASN A 28 11.647 -15.663 0.934 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.445 -14.459 -0.888 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.944 -13.671 -1.340 1.00 1.19 H new ATOM 0 HD21 ASN A 28 11.051 -17.253 -2.902 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.913 -16.198 -2.057 1.00 1.48 H new ATOM 109 N PRO A 29 14.121 -15.949 0.925 1.00 1.46 N ATOM 110 CA PRO A 29 15.574 -16.136 1.091 1.00 1.60 C ATOM 111 C PRO A 29 16.353 -16.003 -0.216 1.00 1.54 C ATOM 112 O PRO A 29 17.414 -15.379 -0.256 1.00 1.54 O ATOM 113 CB PRO A 29 15.674 -17.573 1.606 1.00 1.87 C ATOM 114 CG PRO A 29 14.450 -18.229 1.085 1.00 1.86 C ATOM 115 CD PRO A 29 13.378 -17.193 1.192 1.00 1.65 C ATOM 0 HA PRO A 29 16.001 -15.380 1.749 1.00 1.60 H new ATOM 0 HB2 PRO A 29 16.576 -18.065 1.242 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.711 -17.605 2.695 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.585 -18.552 0.053 1.00 1.86 H new ATOM 0 HG3 PRO A 29 14.200 -19.116 1.667 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.581 -17.355 0.466 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.914 -17.187 2.179 1.00 1.65 H new ATOM 123 N SER A 30 15.824 -16.601 -1.275 1.00 1.57 N ATOM 124 CA SER A 30 16.483 -16.619 -2.562 1.00 1.63 C ATOM 125 C SER A 30 16.360 -15.265 -3.241 1.00 1.47 C ATOM 126 O SER A 30 17.197 -14.877 -4.058 1.00 1.58 O ATOM 127 CB SER A 30 15.841 -17.704 -3.414 1.00 1.81 C ATOM 128 OG SER A 30 15.567 -18.857 -2.634 1.00 2.18 O ATOM 0 H SER A 30 14.926 -17.085 -1.260 1.00 1.57 H new ATOM 0 HA SER A 30 17.545 -16.830 -2.433 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.917 -17.329 -3.854 1.00 1.81 H new ATOM 0 HB3 SER A 30 16.504 -17.966 -4.239 1.00 1.81 H new ATOM 0 HG SER A 30 15.153 -19.543 -3.198 1.00 2.18 H new ATOM 134 N LYS A 31 15.309 -14.553 -2.886 1.00 1.28 N ATOM 135 CA LYS A 31 15.060 -13.228 -3.425 1.00 1.14 C ATOM 136 C LYS A 31 15.868 -12.192 -2.654 1.00 1.01 C ATOM 137 O LYS A 31 15.736 -12.080 -1.436 1.00 1.03 O ATOM 138 CB LYS A 31 13.570 -12.905 -3.336 1.00 1.14 C ATOM 139 CG LYS A 31 13.186 -11.565 -3.933 1.00 1.18 C ATOM 140 CD LYS A 31 12.036 -10.934 -3.165 1.00 1.26 C ATOM 141 CE LYS A 31 11.299 -9.912 -4.010 1.00 1.93 C ATOM 142 NZ LYS A 31 11.878 -8.555 -3.844 1.00 2.75 N ATOM 0 H LYS A 31 14.606 -14.873 -2.220 1.00 1.28 H new ATOM 0 HA LYS A 31 15.366 -13.205 -4.471 1.00 1.14 H new ATOM 0 HB2 LYS A 31 13.009 -13.690 -3.843 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.268 -12.923 -2.289 1.00 1.14 H new ATOM 0 HG2 LYS A 31 14.047 -10.897 -3.919 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.902 -11.696 -4.977 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.342 -11.711 -2.844 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.418 -10.455 -2.264 1.00 1.26 H new ATOM 0 HE2 LYS A 31 11.345 -10.203 -5.059 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.246 -9.897 -3.730 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.160 -7.840 -4.077 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 12.187 -8.427 -2.859 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.694 -8.446 -4.479 1.00 2.75 H new ATOM 156 N PRO A 32 16.729 -11.431 -3.344 1.00 0.99 N ATOM 157 CA PRO A 32 17.550 -10.413 -2.699 1.00 0.97 C ATOM 158 C PRO A 32 16.712 -9.289 -2.113 1.00 0.85 C ATOM 159 O PRO A 32 15.822 -8.741 -2.774 1.00 0.89 O ATOM 160 CB PRO A 32 18.444 -9.884 -3.815 1.00 1.14 C ATOM 161 CG PRO A 32 17.760 -10.263 -5.088 1.00 1.38 C ATOM 162 CD PRO A 32 16.972 -11.510 -4.795 1.00 1.13 C ATOM 0 HA PRO A 32 18.111 -10.826 -1.861 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.566 -8.803 -3.741 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.441 -10.321 -3.760 1.00 1.14 H new ATOM 0 HG2 PRO A 32 17.105 -9.462 -5.430 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.487 -10.441 -5.881 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.039 -11.536 -5.357 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.529 -12.408 -5.060 1.00 1.13 H new ATOM 170 N GLY A 33 17.016 -8.951 -0.879 1.00 0.83 N ATOM 171 CA GLY A 33 16.283 -7.926 -0.171 1.00 0.79 C ATOM 172 C GLY A 33 17.217 -7.039 0.612 1.00 0.76 C ATOM 173 O GLY A 33 17.359 -7.184 1.828 1.00 0.97 O ATOM 0 H GLY A 33 17.772 -9.375 -0.342 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.714 -7.325 -0.880 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.563 -8.389 0.504 1.00 0.79 H new ATOM 177 N ARG A 34 17.869 -6.132 -0.092 1.00 0.81 N ATOM 178 CA ARG A 34 18.894 -5.296 0.503 1.00 0.79 C ATOM 179 C ARG A 34 18.286 -4.062 1.149 1.00 0.79 C ATOM 180 O ARG A 34 17.252 -3.564 0.713 1.00 0.97 O ATOM 181 CB ARG A 34 19.920 -4.883 -0.554 1.00 0.82 C ATOM 182 CG ARG A 34 20.521 -6.059 -1.302 1.00 1.24 C ATOM 183 CD ARG A 34 21.996 -6.232 -0.981 1.00 1.04 C ATOM 184 NE ARG A 34 22.849 -5.497 -1.912 1.00 0.98 N ATOM 185 CZ ARG A 34 23.760 -6.062 -2.700 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.912 -7.379 -2.719 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.503 -5.295 -3.485 1.00 1.56 N ATOM 0 H ARG A 34 17.705 -5.955 -1.083 1.00 0.81 H new ATOM 0 HA ARG A 34 19.394 -5.876 1.279 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.444 -4.212 -1.269 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.720 -4.321 -0.073 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.982 -6.970 -1.042 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.397 -5.911 -2.375 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.188 -5.888 0.035 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.252 -7.291 -1.013 1.00 1.04 H new ATOM 0 HE ARG A 34 22.739 -4.484 -1.961 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.328 -7.968 -2.126 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.613 -7.803 -3.327 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.373 -4.283 -3.481 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.205 -5.716 -4.094 1.00 1.56 H new ATOM 201 N LYS A 35 18.925 -3.587 2.204 1.00 0.80 N ATOM 202 CA LYS A 35 18.496 -2.370 2.864 1.00 0.82 C ATOM 203 C LYS A 35 19.148 -1.164 2.208 1.00 0.77 C ATOM 204 O LYS A 35 20.332 -0.899 2.419 1.00 0.93 O ATOM 205 CB LYS A 35 18.864 -2.410 4.346 1.00 0.87 C ATOM 206 CG LYS A 35 17.694 -2.716 5.268 1.00 1.42 C ATOM 207 CD LYS A 35 17.455 -1.593 6.264 1.00 1.71 C ATOM 208 CE LYS A 35 18.729 -1.220 7.007 1.00 1.85 C ATOM 209 NZ LYS A 35 18.453 -0.790 8.401 1.00 2.64 N ATOM 0 H LYS A 35 19.745 -4.028 2.621 1.00 0.80 H new ATOM 0 HA LYS A 35 17.413 -2.289 2.771 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.638 -3.162 4.497 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.294 -1.449 4.629 1.00 0.87 H new ATOM 0 HG2 LYS A 35 16.794 -2.873 4.674 1.00 1.42 H new ATOM 0 HG3 LYS A 35 17.887 -3.644 5.806 1.00 1.42 H new ATOM 0 HD2 LYS A 35 17.069 -0.718 5.741 1.00 1.71 H new ATOM 0 HD3 LYS A 35 16.692 -1.898 6.980 1.00 1.71 H new ATOM 0 HE2 LYS A 35 19.406 -2.074 7.018 1.00 1.85 H new ATOM 0 HE3 LYS A 35 19.238 -0.417 6.474 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 19.351 -0.593 8.888 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 17.870 0.071 8.390 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 17.945 -1.546 8.903 1.00 2.64 H new ATOM 223 N THR A 36 18.396 -0.457 1.389 1.00 0.59 N ATOM 224 CA THR A 36 18.903 0.754 0.777 1.00 0.54 C ATOM 225 C THR A 36 18.204 1.987 1.343 1.00 0.46 C ATOM 226 O THR A 36 17.184 1.878 2.034 1.00 0.46 O ATOM 227 CB THR A 36 18.756 0.727 -0.754 1.00 0.56 C ATOM 228 OG1 THR A 36 17.479 1.250 -1.146 1.00 0.54 O ATOM 229 CG2 THR A 36 18.913 -0.685 -1.298 1.00 0.68 C ATOM 0 H THR A 36 17.438 -0.698 1.133 1.00 0.59 H new ATOM 0 HA THR A 36 19.965 0.808 1.014 1.00 0.54 H new ATOM 0 HB THR A 36 19.546 1.351 -1.171 1.00 0.56 H new ATOM 0 HG1 THR A 36 17.428 1.289 -2.124 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.804 -0.671 -2.382 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.900 -1.068 -1.037 1.00 0.68 H new ATOM 0 HG23 THR A 36 18.148 -1.329 -0.865 1.00 0.68 H new ATOM 237 N ASN A 37 18.766 3.155 1.052 1.00 0.42 N ATOM 238 CA ASN A 37 18.233 4.424 1.532 1.00 0.40 C ATOM 239 C ASN A 37 16.839 4.681 0.980 1.00 0.33 C ATOM 240 O ASN A 37 15.969 5.175 1.693 1.00 0.33 O ATOM 241 CB ASN A 37 19.165 5.572 1.145 1.00 0.48 C ATOM 242 CG ASN A 37 18.768 6.883 1.795 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.439 6.927 2.979 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.795 7.960 1.023 1.00 0.78 N ATOM 0 H ASN A 37 19.603 3.248 0.477 1.00 0.42 H new ATOM 0 HA ASN A 37 18.165 4.367 2.618 1.00 0.40 H new ATOM 0 HB2 ASN A 37 20.186 5.321 1.434 1.00 0.48 H new ATOM 0 HB3 ASN A 37 19.160 5.691 0.061 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.537 8.869 1.407 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.074 7.880 0.045 1.00 0.78 H new ATOM 251 N GLN A 38 16.631 4.345 -0.290 1.00 0.33 N ATOM 252 CA GLN A 38 15.327 4.510 -0.915 1.00 0.31 C ATOM 253 C GLN A 38 14.299 3.604 -0.252 1.00 0.26 C ATOM 254 O GLN A 38 13.175 4.025 0.016 1.00 0.25 O ATOM 255 CB GLN A 38 15.406 4.198 -2.406 1.00 0.36 C ATOM 256 CG GLN A 38 14.468 5.036 -3.257 1.00 0.46 C ATOM 257 CD GLN A 38 14.522 4.651 -4.719 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.823 3.736 -5.160 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.351 5.345 -5.481 1.00 0.55 N ATOM 0 H GLN A 38 17.348 3.958 -0.903 1.00 0.33 H new ATOM 0 HA GLN A 38 15.018 5.547 -0.787 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.429 4.355 -2.747 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.177 3.143 -2.560 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.448 4.921 -2.891 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.728 6.089 -3.151 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.911 6.094 -5.074 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.430 5.131 -6.475 1.00 0.55 H new ATOM 268 N LEU A 39 14.696 2.362 0.020 1.00 0.28 N ATOM 269 CA LEU A 39 13.806 1.394 0.649 1.00 0.31 C ATOM 270 C LEU A 39 13.327 1.905 2.003 1.00 0.29 C ATOM 271 O LEU A 39 12.126 1.959 2.267 1.00 0.30 O ATOM 272 CB LEU A 39 14.513 0.047 0.819 1.00 0.38 C ATOM 273 CG LEU A 39 13.751 -0.976 1.660 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.202 -2.085 0.781 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.651 -1.546 2.742 1.00 0.80 C ATOM 0 H LEU A 39 15.629 2.005 -0.186 1.00 0.28 H new ATOM 0 HA LEU A 39 12.940 1.258 0.001 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.695 -0.379 -0.168 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.487 0.219 1.277 1.00 0.38 H new ATOM 0 HG LEU A 39 12.911 -0.474 2.140 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.662 -2.804 1.397 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.524 -1.661 0.041 1.00 0.63 H new ATOM 0 HD13 LEU A 39 14.025 -2.588 0.273 1.00 0.63 H new ATOM 0 HD21 LEU A 39 14.094 -2.273 3.333 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.510 -2.034 2.281 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.996 -0.740 3.390 1.00 0.80 H new ATOM 287 N GLN A 40 14.275 2.300 2.846 1.00 0.29 N ATOM 288 CA GLN A 40 13.959 2.803 4.179 1.00 0.30 C ATOM 289 C GLN A 40 13.284 4.171 4.107 1.00 0.26 C ATOM 290 O GLN A 40 12.624 4.604 5.055 1.00 0.28 O ATOM 291 CB GLN A 40 15.223 2.876 5.036 1.00 0.36 C ATOM 292 CG GLN A 40 15.676 1.520 5.549 1.00 0.42 C ATOM 293 CD GLN A 40 15.756 1.454 7.065 1.00 0.72 C ATOM 294 OE1 GLN A 40 16.839 1.540 7.646 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.616 1.290 7.718 1.00 0.83 N ATOM 0 H GLN A 40 15.272 2.282 2.629 1.00 0.29 H new ATOM 0 HA GLN A 40 13.260 2.107 4.644 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.026 3.323 4.450 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.042 3.536 5.884 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.986 0.755 5.194 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.654 1.287 5.129 1.00 0.42 H new ATOM 0 HE21 GLN A 40 13.738 1.223 7.203 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.615 1.231 8.736 1.00 0.83 H new ATOM 304 N TYR A 41 13.460 4.846 2.981 1.00 0.25 N ATOM 305 CA TYR A 41 12.851 6.138 2.757 1.00 0.24 C ATOM 306 C TYR A 41 11.336 6.034 2.713 1.00 0.22 C ATOM 307 O TYR A 41 10.655 6.574 3.574 1.00 0.23 O ATOM 308 CB TYR A 41 13.379 6.727 1.448 1.00 0.24 C ATOM 309 CG TYR A 41 12.943 8.142 1.181 1.00 0.31 C ATOM 310 CD1 TYR A 41 13.692 9.215 1.639 1.00 0.42 C ATOM 311 CD2 TYR A 41 11.781 8.402 0.476 1.00 0.32 C ATOM 312 CE1 TYR A 41 13.294 10.511 1.401 1.00 0.52 C ATOM 313 CE2 TYR A 41 11.375 9.695 0.232 1.00 0.44 C ATOM 314 CZ TYR A 41 12.151 10.751 0.683 1.00 0.53 C ATOM 315 OH TYR A 41 11.727 12.040 0.448 1.00 0.64 O ATOM 0 H TYR A 41 14.028 4.511 2.203 1.00 0.25 H new ATOM 0 HA TYR A 41 13.113 6.794 3.587 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.468 6.692 1.462 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.050 6.097 0.622 1.00 0.24 H new ATOM 0 HD1 TYR A 41 14.602 9.031 2.191 1.00 0.42 H new ATOM 0 HD2 TYR A 41 11.184 7.579 0.112 1.00 0.32 H new ATOM 0 HE1 TYR A 41 13.880 11.336 1.779 1.00 0.52 H new ATOM 0 HE2 TYR A 41 10.459 9.885 -0.307 1.00 0.44 H new ATOM 0 HH TYR A 41 12.501 12.608 0.251 1.00 0.64 H new ATOM 325 N MET A 42 10.815 5.309 1.735 1.00 0.20 N ATOM 326 CA MET A 42 9.385 5.298 1.479 1.00 0.20 C ATOM 327 C MET A 42 8.594 4.827 2.694 1.00 0.21 C ATOM 328 O MET A 42 7.513 5.343 2.960 1.00 0.22 O ATOM 329 CB MET A 42 9.077 4.429 0.251 1.00 0.23 C ATOM 330 CG MET A 42 7.861 3.521 0.397 1.00 0.80 C ATOM 331 SD MET A 42 6.451 4.083 -0.575 1.00 1.07 S ATOM 332 CE MET A 42 6.981 3.636 -2.224 1.00 1.13 C ATOM 0 H MET A 42 11.362 4.721 1.106 1.00 0.20 H new ATOM 0 HA MET A 42 9.072 6.322 1.274 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.924 5.081 -0.609 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.949 3.812 0.032 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.129 2.510 0.090 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.575 3.470 1.448 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.187 4.540 -2.797 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.885 3.030 -2.164 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.194 3.065 -2.717 1.00 1.13 H new ATOM 342 N GLN A 43 9.148 3.890 3.455 1.00 0.24 N ATOM 343 CA GLN A 43 8.423 3.323 4.591 1.00 0.30 C ATOM 344 C GLN A 43 8.154 4.395 5.637 1.00 0.30 C ATOM 345 O GLN A 43 7.027 4.570 6.094 1.00 0.33 O ATOM 346 CB GLN A 43 9.185 2.155 5.228 1.00 0.42 C ATOM 347 CG GLN A 43 10.679 2.181 5.001 1.00 0.84 C ATOM 348 CD GLN A 43 11.389 1.139 5.831 1.00 0.76 C ATOM 349 OE1 GLN A 43 11.954 1.441 6.881 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.357 -0.095 5.370 1.00 0.54 N ATOM 0 H GLN A 43 10.083 3.510 3.311 1.00 0.24 H new ATOM 0 HA GLN A 43 7.475 2.939 4.213 1.00 0.30 H new ATOM 0 HB2 GLN A 43 8.994 2.155 6.301 1.00 0.42 H new ATOM 0 HB3 GLN A 43 8.787 1.220 4.834 1.00 0.42 H new ATOM 0 HG2 GLN A 43 10.890 2.010 3.945 1.00 0.84 H new ATOM 0 HG3 GLN A 43 11.067 3.169 5.248 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.876 -0.300 4.494 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.813 -0.845 5.889 1.00 0.54 H new ATOM 359 N ASN A 44 9.194 5.125 5.995 1.00 0.30 N ATOM 360 CA ASN A 44 9.085 6.153 7.019 1.00 0.33 C ATOM 361 C ASN A 44 8.608 7.479 6.445 1.00 0.31 C ATOM 362 O ASN A 44 7.976 8.272 7.137 1.00 0.34 O ATOM 363 CB ASN A 44 10.431 6.346 7.716 1.00 0.37 C ATOM 364 CG ASN A 44 10.892 5.095 8.435 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.312 4.697 9.445 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.934 4.462 7.914 1.00 0.47 N ATOM 0 H ASN A 44 10.126 5.027 5.592 1.00 0.30 H new ATOM 0 HA ASN A 44 8.342 5.816 7.742 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.180 6.636 6.980 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.353 7.165 8.431 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.284 3.610 8.352 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.385 4.827 7.075 1.00 0.47 H new ATOM 373 N VAL A 45 8.931 7.736 5.193 1.00 0.27 N ATOM 374 CA VAL A 45 8.576 9.001 4.575 1.00 0.27 C ATOM 375 C VAL A 45 7.202 8.961 3.910 1.00 0.24 C ATOM 376 O VAL A 45 6.310 9.721 4.271 1.00 0.28 O ATOM 377 CB VAL A 45 9.624 9.413 3.531 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.191 10.669 2.806 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.983 9.604 4.182 1.00 0.30 C ATOM 0 H VAL A 45 9.436 7.091 4.585 1.00 0.27 H new ATOM 0 HA VAL A 45 8.544 9.735 5.380 1.00 0.27 H new ATOM 0 HB VAL A 45 9.710 8.612 2.797 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.947 10.944 2.071 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.242 10.489 2.301 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.071 11.480 3.524 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.711 9.896 3.425 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.917 10.383 4.941 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.298 8.670 4.648 1.00 0.30 H new ATOM 389 N VAL A 46 7.024 8.056 2.961 1.00 0.19 N ATOM 390 CA VAL A 46 5.817 8.044 2.148 1.00 0.19 C ATOM 391 C VAL A 46 4.649 7.422 2.901 1.00 0.19 C ATOM 392 O VAL A 46 3.681 8.109 3.239 1.00 0.19 O ATOM 393 CB VAL A 46 6.030 7.291 0.816 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.787 7.377 -0.056 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.240 7.845 0.076 1.00 0.22 C ATOM 0 H VAL A 46 7.696 7.323 2.735 1.00 0.19 H new ATOM 0 HA VAL A 46 5.582 9.085 1.924 1.00 0.19 H new ATOM 0 HB VAL A 46 6.216 6.241 1.044 1.00 0.20 H new ATOM 0 HG11 VAL A 46 4.959 6.840 -0.989 1.00 0.26 H new ATOM 0 HG12 VAL A 46 3.943 6.931 0.469 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.567 8.422 -0.274 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.374 7.302 -0.860 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.083 8.902 -0.137 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.130 7.727 0.694 1.00 0.22 H new ATOM 405 N VAL A 47 4.753 6.130 3.187 1.00 0.20 N ATOM 406 CA VAL A 47 3.645 5.396 3.785 1.00 0.23 C ATOM 407 C VAL A 47 3.306 5.918 5.181 1.00 0.23 C ATOM 408 O VAL A 47 2.141 5.935 5.568 1.00 0.25 O ATOM 409 CB VAL A 47 3.902 3.862 3.818 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.147 3.499 3.033 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.995 3.317 5.240 1.00 0.83 C ATOM 0 H VAL A 47 5.589 5.571 3.016 1.00 0.20 H new ATOM 0 HA VAL A 47 2.782 5.569 3.142 1.00 0.23 H new ATOM 0 HB VAL A 47 3.039 3.393 3.345 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.301 2.421 3.074 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.026 3.809 1.995 1.00 0.70 H new ATOM 0 HG13 VAL A 47 6.010 4.006 3.465 1.00 0.70 H new ATOM 0 HG21 VAL A 47 4.175 2.242 5.207 1.00 0.83 H new ATOM 0 HG22 VAL A 47 4.816 3.806 5.764 1.00 0.83 H new ATOM 0 HG23 VAL A 47 3.061 3.512 5.766 1.00 0.83 H new ATOM 421 N LYS A 48 4.311 6.367 5.926 1.00 0.26 N ATOM 422 CA LYS A 48 4.078 6.855 7.280 1.00 0.30 C ATOM 423 C LYS A 48 3.307 8.174 7.274 1.00 0.28 C ATOM 424 O LYS A 48 2.528 8.446 8.185 1.00 0.33 O ATOM 425 CB LYS A 48 5.397 7.012 8.033 1.00 0.36 C ATOM 426 CG LYS A 48 5.531 6.057 9.210 1.00 0.53 C ATOM 427 CD LYS A 48 6.706 6.420 10.105 1.00 1.25 C ATOM 428 CE LYS A 48 6.893 5.395 11.213 1.00 1.79 C ATOM 429 NZ LYS A 48 8.015 4.461 10.933 1.00 2.40 N ATOM 0 H LYS A 48 5.283 6.403 5.620 1.00 0.26 H new ATOM 0 HA LYS A 48 3.468 6.113 7.796 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.224 6.846 7.343 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.483 8.037 8.393 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.611 6.071 9.795 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.658 5.040 8.839 1.00 0.53 H new ATOM 0 HD2 LYS A 48 7.615 6.483 9.507 1.00 1.25 H new ATOM 0 HD3 LYS A 48 6.543 7.405 10.542 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.079 5.911 12.155 1.00 1.79 H new ATOM 0 HE3 LYS A 48 5.972 4.826 11.338 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.459 4.173 11.828 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.652 3.620 10.440 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 8.720 4.936 10.334 1.00 2.40 H new ATOM 443 N THR A 49 3.518 8.989 6.247 1.00 0.23 N ATOM 444 CA THR A 49 2.781 10.240 6.124 1.00 0.24 C ATOM 445 C THR A 49 1.363 9.975 5.622 1.00 0.22 C ATOM 446 O THR A 49 0.408 10.603 6.082 1.00 0.24 O ATOM 447 CB THR A 49 3.495 11.236 5.193 1.00 0.28 C ATOM 448 OG1 THR A 49 4.864 11.377 5.595 1.00 0.55 O ATOM 449 CG2 THR A 49 2.818 12.600 5.224 1.00 0.52 C ATOM 0 H THR A 49 4.185 8.809 5.496 1.00 0.23 H new ATOM 0 HA THR A 49 2.733 10.689 7.116 1.00 0.24 H new ATOM 0 HB THR A 49 3.443 10.847 4.176 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.446 10.960 4.926 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.344 13.283 4.557 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.783 12.500 4.898 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.842 12.995 6.240 1.00 0.52 H new ATOM 457 N LEU A 50 1.226 9.028 4.695 1.00 0.20 N ATOM 458 CA LEU A 50 -0.090 8.616 4.218 1.00 0.21 C ATOM 459 C LEU A 50 -0.870 7.979 5.367 1.00 0.20 C ATOM 460 O LEU A 50 -2.082 8.154 5.487 1.00 0.21 O ATOM 461 CB LEU A 50 0.036 7.627 3.042 1.00 0.24 C ATOM 462 CG LEU A 50 -0.922 7.852 1.855 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.525 6.530 1.403 1.00 0.33 C ATOM 464 CD2 LEU A 50 -2.023 8.840 2.215 1.00 0.29 C ATOM 0 H LEU A 50 2.007 8.535 4.262 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.626 9.495 3.860 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.059 7.668 2.668 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.124 6.619 3.424 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.345 8.276 1.033 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -2.199 6.705 0.564 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.728 5.854 1.093 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -2.080 6.083 2.227 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.682 8.978 1.358 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.598 8.454 3.057 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.578 9.797 2.488 1.00 0.29 H new ATOM 476 N TRP A 51 -0.150 7.261 6.222 1.00 0.22 N ATOM 477 CA TRP A 51 -0.735 6.623 7.394 1.00 0.24 C ATOM 478 C TRP A 51 -1.312 7.659 8.357 1.00 0.26 C ATOM 479 O TRP A 51 -2.327 7.422 9.006 1.00 0.29 O ATOM 480 CB TRP A 51 0.325 5.780 8.114 1.00 0.27 C ATOM 481 CG TRP A 51 -0.250 4.755 9.043 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.727 4.968 10.304 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.402 3.353 8.787 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.176 3.789 10.844 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.988 2.781 9.933 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.106 2.530 7.697 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.286 1.421 10.016 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.395 1.180 7.784 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.982 0.639 8.936 1.00 0.39 C ATOM 0 H TRP A 51 0.853 7.106 6.122 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.548 5.979 7.058 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.943 5.277 7.370 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.981 6.442 8.679 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.748 5.925 10.804 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.584 3.680 11.773 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.340 2.940 6.803 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.740 1.001 10.901 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.165 0.533 6.951 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.199 -0.418 8.972 1.00 0.39 H new ATOM 500 N LYS A 52 -0.674 8.817 8.441 1.00 0.27 N ATOM 501 CA LYS A 52 -1.088 9.832 9.399 1.00 0.29 C ATOM 502 C LYS A 52 -2.225 10.692 8.856 1.00 0.30 C ATOM 503 O LYS A 52 -2.639 11.662 9.493 1.00 0.45 O ATOM 504 CB LYS A 52 0.098 10.698 9.803 1.00 0.33 C ATOM 505 CG LYS A 52 0.863 10.145 10.998 1.00 0.48 C ATOM 506 CD LYS A 52 2.192 10.861 11.201 1.00 1.13 C ATOM 507 CE LYS A 52 2.288 11.477 12.589 1.00 1.74 C ATOM 508 NZ LYS A 52 3.700 11.671 13.015 1.00 2.24 N ATOM 0 H LYS A 52 0.125 9.076 7.863 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.463 9.318 10.284 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.777 10.791 8.956 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.256 11.701 10.039 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.255 10.246 11.897 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.043 9.080 10.853 1.00 0.48 H new ATOM 0 HD2 LYS A 52 3.011 10.157 11.057 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.305 11.640 10.447 1.00 1.13 H new ATOM 0 HE2 LYS A 52 1.772 12.437 12.596 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.777 10.835 13.307 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 3.721 12.093 13.965 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 4.187 10.752 13.033 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 4.181 12.304 12.345 1.00 2.24 H new ATOM 522 N HIS A 53 -2.734 10.332 7.689 1.00 0.25 N ATOM 523 CA HIS A 53 -3.884 11.015 7.121 1.00 0.26 C ATOM 524 C HIS A 53 -5.166 10.413 7.686 1.00 0.31 C ATOM 525 O HIS A 53 -5.314 9.192 7.742 1.00 0.35 O ATOM 526 CB HIS A 53 -3.871 10.904 5.598 1.00 0.24 C ATOM 527 CG HIS A 53 -4.680 11.959 4.906 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.904 11.671 4.358 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.392 13.264 4.680 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.331 12.793 3.808 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.450 13.787 3.979 1.00 0.39 N ATOM 0 H HIS A 53 -2.369 9.571 7.117 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.838 12.071 7.387 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.840 10.962 5.248 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.250 9.923 5.312 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.502 13.791 4.991 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.271 12.896 3.287 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.547 14.748 3.651 1.00 0.39 H new ATOM 539 N GLN A 54 -6.096 11.264 8.094 1.00 0.42 N ATOM 540 CA GLN A 54 -7.299 10.796 8.776 1.00 0.54 C ATOM 541 C GLN A 54 -8.385 10.380 7.789 1.00 0.42 C ATOM 542 O GLN A 54 -9.539 10.189 8.166 1.00 0.47 O ATOM 543 CB GLN A 54 -7.827 11.867 9.726 1.00 0.79 C ATOM 544 CG GLN A 54 -7.604 11.530 11.191 1.00 1.09 C ATOM 545 CD GLN A 54 -7.955 10.093 11.522 1.00 1.24 C ATOM 546 OE1 GLN A 54 -9.125 9.740 11.645 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.942 9.253 11.676 1.00 1.21 N ATOM 0 H GLN A 54 -6.044 12.275 7.967 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.024 9.914 9.354 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.341 12.816 9.500 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.894 12.006 9.550 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.560 11.713 11.447 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.205 12.198 11.808 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.984 9.584 11.566 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -7.121 8.275 11.905 1.00 1.21 H new ATOM 556 N PHE A 55 -8.017 10.255 6.527 1.00 0.36 N ATOM 557 CA PHE A 55 -8.916 9.708 5.522 1.00 0.31 C ATOM 558 C PHE A 55 -8.390 8.359 5.053 1.00 0.27 C ATOM 559 O PHE A 55 -9.004 7.685 4.230 1.00 0.29 O ATOM 560 CB PHE A 55 -9.062 10.676 4.342 1.00 0.36 C ATOM 561 CG PHE A 55 -10.367 11.427 4.322 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.104 11.615 5.483 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.861 11.940 3.133 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.303 12.300 5.454 1.00 0.76 C ATOM 565 CE2 PHE A 55 -12.059 12.626 3.100 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.781 12.805 4.262 1.00 0.86 C ATOM 0 H PHE A 55 -7.100 10.525 6.171 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.904 9.570 5.962 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.242 11.394 4.371 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.963 10.116 3.412 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.736 11.221 6.419 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.301 11.801 2.220 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.867 12.440 6.364 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.430 13.022 2.166 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.719 13.340 4.239 1.00 0.86 H new ATOM 576 N ALA A 56 -7.250 7.963 5.606 1.00 0.25 N ATOM 577 CA ALA A 56 -6.629 6.690 5.267 1.00 0.25 C ATOM 578 C ALA A 56 -6.916 5.652 6.344 1.00 0.26 C ATOM 579 O ALA A 56 -6.228 4.639 6.455 1.00 0.28 O ATOM 580 CB ALA A 56 -5.131 6.873 5.092 1.00 0.28 C ATOM 0 H ALA A 56 -6.735 8.510 6.296 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.052 6.333 4.328 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.675 5.916 4.839 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.943 7.588 4.291 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.699 7.246 6.021 1.00 0.28 H new ATOM 586 N TRP A 57 -7.954 5.906 7.124 1.00 0.30 N ATOM 587 CA TRP A 57 -8.294 5.046 8.255 1.00 0.34 C ATOM 588 C TRP A 57 -8.905 3.698 7.825 1.00 0.35 C ATOM 589 O TRP A 57 -8.625 2.684 8.463 1.00 0.40 O ATOM 590 CB TRP A 57 -9.188 5.773 9.280 1.00 0.37 C ATOM 591 CG TRP A 57 -10.493 6.286 8.751 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.691 7.419 8.021 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.787 5.693 8.935 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.025 7.569 7.735 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.719 6.522 8.282 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.248 4.541 9.581 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.081 6.238 8.260 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.601 4.260 9.558 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.504 5.104 8.901 1.00 0.58 C ATOM 0 H TRP A 57 -8.579 6.702 6.997 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.351 4.811 8.748 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.394 5.091 10.105 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.628 6.612 9.693 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.912 8.100 7.712 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.434 8.336 7.201 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.559 3.883 10.089 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.780 6.889 7.755 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.968 3.374 10.055 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.555 4.856 8.900 1.00 0.58 H new ATOM 610 N PRO A 58 -9.720 3.618 6.738 1.00 0.34 N ATOM 611 CA PRO A 58 -10.213 2.330 6.245 1.00 0.40 C ATOM 612 C PRO A 58 -9.116 1.584 5.498 1.00 0.36 C ATOM 613 O PRO A 58 -9.308 0.466 5.022 1.00 0.45 O ATOM 614 CB PRO A 58 -11.357 2.702 5.287 1.00 0.47 C ATOM 615 CG PRO A 58 -11.542 4.178 5.414 1.00 0.40 C ATOM 616 CD PRO A 58 -10.238 4.723 5.913 1.00 0.32 C ATOM 0 HA PRO A 58 -10.538 1.674 7.052 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.111 2.427 4.261 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.272 2.171 5.548 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.807 4.621 4.454 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.351 4.410 6.106 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.562 4.968 5.094 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.376 5.633 6.496 1.00 0.32 H new ATOM 624 N PHE A 59 -7.961 2.231 5.415 1.00 0.31 N ATOM 625 CA PHE A 59 -6.809 1.701 4.711 1.00 0.31 C ATOM 626 C PHE A 59 -5.783 1.148 5.701 1.00 0.31 C ATOM 627 O PHE A 59 -4.805 0.518 5.306 1.00 0.52 O ATOM 628 CB PHE A 59 -6.181 2.817 3.873 1.00 0.36 C ATOM 629 CG PHE A 59 -6.736 2.933 2.482 1.00 0.47 C ATOM 630 CD1 PHE A 59 -7.927 3.601 2.245 1.00 0.68 C ATOM 631 CD2 PHE A 59 -6.070 2.360 1.411 1.00 0.92 C ATOM 632 CE1 PHE A 59 -8.440 3.697 0.965 1.00 0.87 C ATOM 633 CE2 PHE A 59 -6.578 2.450 0.131 1.00 1.11 C ATOM 634 CZ PHE A 59 -7.763 3.177 -0.089 1.00 0.95 C ATOM 0 H PHE A 59 -7.800 3.145 5.839 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.128 0.886 4.061 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.324 3.767 4.389 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.106 2.647 3.810 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -8.460 4.051 3.069 1.00 0.68 H new ATOM 0 HD2 PHE A 59 -5.141 1.836 1.580 1.00 0.92 H new ATOM 0 HE1 PHE A 59 -9.387 4.190 0.803 1.00 0.87 H new ATOM 0 HE2 PHE A 59 -6.072 1.968 -0.693 1.00 1.11 H new ATOM 0 HZ PHE A 59 -8.132 3.320 -1.094 1.00 0.95 H new ATOM 644 N TYR A 60 -6.027 1.388 6.988 1.00 0.35 N ATOM 645 CA TYR A 60 -5.099 0.985 8.047 1.00 0.39 C ATOM 646 C TYR A 60 -4.987 -0.529 8.139 1.00 0.45 C ATOM 647 O TYR A 60 -3.891 -1.088 8.164 1.00 0.63 O ATOM 648 CB TYR A 60 -5.576 1.513 9.400 1.00 0.46 C ATOM 649 CG TYR A 60 -5.284 2.973 9.655 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.432 3.670 8.810 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.858 3.659 10.720 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.155 5.005 9.015 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.585 4.997 10.930 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.763 5.652 10.175 1.00 0.45 C ATOM 655 OH TYR A 60 -4.459 6.998 10.276 1.00 0.58 O ATOM 0 H TYR A 60 -6.864 1.862 7.326 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.124 1.404 7.798 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.652 1.355 9.476 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.110 0.922 10.188 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.977 3.157 7.976 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.526 3.139 11.391 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.512 5.553 8.342 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.071 5.510 11.747 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.953 7.279 9.485 1.00 0.58 H new ATOM 665 N GLN A 61 -6.134 -1.179 8.209 1.00 0.46 N ATOM 666 CA GLN A 61 -6.186 -2.616 8.410 1.00 0.55 C ATOM 667 C GLN A 61 -6.059 -3.344 7.085 1.00 0.56 C ATOM 668 O GLN A 61 -6.803 -3.059 6.142 1.00 0.57 O ATOM 669 CB GLN A 61 -7.487 -3.021 9.112 1.00 0.65 C ATOM 670 CG GLN A 61 -8.304 -1.844 9.626 1.00 0.71 C ATOM 671 CD GLN A 61 -9.389 -1.403 8.656 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.468 -0.982 9.069 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.116 -1.509 7.364 1.00 1.63 N ATOM 0 H GLN A 61 -7.047 -0.732 8.129 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.348 -2.898 9.047 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.098 -3.599 8.418 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.248 -3.677 9.949 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.763 -2.115 10.577 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.637 -1.004 9.822 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.208 -1.863 7.062 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -9.813 -1.236 6.671 1.00 1.63 H new ATOM 682 N PRO A 62 -5.112 -4.290 7.007 1.00 0.63 N ATOM 683 CA PRO A 62 -4.836 -5.034 5.779 1.00 0.68 C ATOM 684 C PRO A 62 -5.974 -5.965 5.385 1.00 0.69 C ATOM 685 O PRO A 62 -6.715 -6.466 6.240 1.00 0.77 O ATOM 686 CB PRO A 62 -3.581 -5.843 6.122 1.00 0.78 C ATOM 687 CG PRO A 62 -3.577 -5.955 7.604 1.00 0.87 C ATOM 688 CD PRO A 62 -4.233 -4.705 8.117 1.00 0.73 C ATOM 0 HA PRO A 62 -4.712 -4.366 4.927 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.608 -6.827 5.654 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -2.681 -5.343 5.763 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.120 -6.842 7.929 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.560 -6.046 7.985 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.801 -4.896 9.028 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.498 -3.936 8.355 1.00 0.73 H new ATOM 696 N VAL A 63 -6.117 -6.187 4.088 1.00 0.66 N ATOM 697 CA VAL A 63 -7.108 -7.123 3.592 1.00 0.69 C ATOM 698 C VAL A 63 -6.674 -8.554 3.901 1.00 0.77 C ATOM 699 O VAL A 63 -5.836 -9.148 3.219 1.00 0.88 O ATOM 700 CB VAL A 63 -7.384 -6.935 2.080 1.00 0.73 C ATOM 701 CG1 VAL A 63 -7.955 -8.198 1.454 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.347 -5.778 1.868 1.00 0.75 C ATOM 0 H VAL A 63 -5.561 -5.733 3.364 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.047 -6.920 4.106 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.433 -6.717 1.593 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.136 -8.028 0.393 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -7.246 -9.017 1.575 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -8.893 -8.455 1.945 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.536 -5.652 0.802 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.286 -5.987 2.381 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.911 -4.863 2.269 1.00 0.75 H new ATOM 712 N ASP A 64 -7.227 -9.073 4.981 1.00 0.79 N ATOM 713 CA ASP A 64 -6.984 -10.444 5.395 1.00 0.93 C ATOM 714 C ASP A 64 -8.242 -11.267 5.177 1.00 1.00 C ATOM 715 O ASP A 64 -8.367 -12.386 5.672 1.00 1.51 O ATOM 716 CB ASP A 64 -6.580 -10.474 6.868 1.00 1.02 C ATOM 717 CG ASP A 64 -5.488 -11.481 7.166 1.00 1.29 C ATOM 718 OD1 ASP A 64 -4.677 -11.759 6.255 1.00 1.85 O ATOM 719 OD2 ASP A 64 -5.449 -12.016 8.297 1.00 1.42 O ATOM 0 H ASP A 64 -7.857 -8.558 5.596 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.174 -10.868 4.801 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.241 -9.482 7.166 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.456 -10.707 7.474 1.00 1.02 H new ATOM 724 N ALA A 65 -9.170 -10.680 4.421 1.00 0.94 N ATOM 725 CA ALA A 65 -10.485 -11.260 4.158 1.00 0.94 C ATOM 726 C ALA A 65 -11.321 -11.346 5.430 1.00 1.03 C ATOM 727 O ALA A 65 -12.233 -10.553 5.629 1.00 1.29 O ATOM 728 CB ALA A 65 -10.375 -12.627 3.494 1.00 0.96 C ATOM 0 H ALA A 65 -9.027 -9.777 3.969 1.00 0.94 H new ATOM 0 HA ALA A 65 -10.994 -10.592 3.463 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -11.373 -13.026 3.315 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -9.847 -12.529 2.545 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -9.825 -13.305 4.147 1.00 0.96 H new ATOM 734 N ILE A 66 -10.982 -12.282 6.301 1.00 1.03 N ATOM 735 CA ILE A 66 -11.765 -12.540 7.505 1.00 1.14 C ATOM 736 C ILE A 66 -11.725 -11.348 8.458 1.00 1.13 C ATOM 737 O ILE A 66 -12.739 -10.984 9.056 1.00 1.19 O ATOM 738 CB ILE A 66 -11.256 -13.796 8.244 1.00 1.24 C ATOM 739 CG1 ILE A 66 -11.101 -14.967 7.270 1.00 1.35 C ATOM 740 CG2 ILE A 66 -12.201 -14.167 9.377 1.00 1.37 C ATOM 741 CD1 ILE A 66 -9.728 -15.605 7.305 1.00 1.89 C ATOM 0 H ILE A 66 -10.163 -12.882 6.198 1.00 1.03 H new ATOM 0 HA ILE A 66 -12.794 -12.706 7.185 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.278 -13.572 8.670 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.850 -15.724 7.502 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.304 -14.617 6.258 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -11.827 -15.055 9.887 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.262 -13.340 10.085 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.192 -14.372 8.972 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -9.690 -16.427 6.590 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -8.975 -14.862 7.043 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -9.529 -15.986 8.307 1.00 1.89 H new ATOM 753 N LYS A 67 -10.555 -10.735 8.574 1.00 1.10 N ATOM 754 CA LYS A 67 -10.353 -9.612 9.483 1.00 1.15 C ATOM 755 C LYS A 67 -11.268 -8.431 9.154 1.00 1.13 C ATOM 756 O LYS A 67 -11.648 -7.665 10.040 1.00 1.27 O ATOM 757 CB LYS A 67 -8.890 -9.167 9.442 1.00 1.21 C ATOM 758 CG LYS A 67 -8.512 -8.173 10.528 1.00 1.50 C ATOM 759 CD LYS A 67 -8.199 -8.871 11.846 1.00 1.90 C ATOM 760 CE LYS A 67 -8.932 -8.218 13.006 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.100 -8.165 14.235 1.00 2.99 N ATOM 0 H LYS A 67 -9.724 -10.999 8.045 1.00 1.10 H new ATOM 0 HA LYS A 67 -10.608 -9.952 10.487 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -8.252 -10.046 9.531 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -8.684 -8.721 8.469 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -7.645 -7.595 10.207 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.329 -7.467 10.675 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -8.482 -9.921 11.780 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -7.125 -8.841 12.029 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -9.227 -7.207 12.725 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -9.848 -8.771 13.213 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -8.639 -7.712 15.000 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -7.839 -9.131 14.520 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.238 -7.615 14.047 1.00 2.99 H new ATOM 775 N LEU A 68 -11.632 -8.288 7.887 1.00 1.02 N ATOM 776 CA LEU A 68 -12.439 -7.151 7.463 1.00 1.03 C ATOM 777 C LEU A 68 -13.763 -7.594 6.850 1.00 1.05 C ATOM 778 O LEU A 68 -14.510 -6.772 6.318 1.00 1.10 O ATOM 779 CB LEU A 68 -11.661 -6.311 6.455 1.00 1.02 C ATOM 780 CG LEU A 68 -11.365 -4.872 6.883 1.00 1.07 C ATOM 781 CD1 LEU A 68 -12.613 -4.207 7.437 1.00 1.61 C ATOM 782 CD2 LEU A 68 -10.247 -4.847 7.910 1.00 1.66 C ATOM 0 H LEU A 68 -11.385 -8.938 7.141 1.00 1.02 H new ATOM 0 HA LEU A 68 -12.663 -6.555 8.348 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.715 -6.811 6.246 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.222 -6.285 5.521 1.00 1.02 H new ATOM 0 HG LEU A 68 -11.044 -4.312 6.005 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -12.379 -3.185 7.735 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -13.388 -4.193 6.671 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -12.969 -4.765 8.303 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -10.047 -3.817 8.205 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -10.544 -5.424 8.785 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -9.346 -5.282 7.478 1.00 1.66 H new ATOM 794 N ASN A 69 -14.040 -8.889 6.928 1.00 1.06 N ATOM 795 CA ASN A 69 -15.269 -9.464 6.373 1.00 1.12 C ATOM 796 C ASN A 69 -15.336 -9.259 4.855 1.00 1.09 C ATOM 797 O ASN A 69 -16.347 -8.806 4.314 1.00 1.15 O ATOM 798 CB ASN A 69 -16.505 -8.853 7.049 1.00 1.24 C ATOM 799 CG ASN A 69 -17.788 -9.587 6.716 1.00 1.34 C ATOM 800 OD1 ASN A 69 -17.807 -10.811 6.576 1.00 1.74 O ATOM 801 ND2 ASN A 69 -18.868 -8.839 6.585 1.00 1.55 N ATOM 0 H ASN A 69 -13.426 -9.571 7.374 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.257 -10.536 6.572 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.361 -8.858 8.129 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.600 -7.811 6.745 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -19.764 -9.272 6.359 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -18.807 -7.829 6.710 1.00 1.55 H new ATOM 808 N LEU A 70 -14.247 -9.593 4.173 1.00 1.04 N ATOM 809 CA LEU A 70 -14.172 -9.453 2.723 1.00 1.01 C ATOM 810 C LEU A 70 -13.767 -10.765 2.049 1.00 0.99 C ATOM 811 O LEU A 70 -12.650 -10.890 1.550 1.00 0.95 O ATOM 812 CB LEU A 70 -13.176 -8.358 2.342 1.00 1.01 C ATOM 813 CG LEU A 70 -13.165 -7.147 3.260 1.00 1.13 C ATOM 814 CD1 LEU A 70 -11.898 -6.351 3.043 1.00 1.61 C ATOM 815 CD2 LEU A 70 -14.392 -6.286 3.019 1.00 1.54 C ATOM 0 H LEU A 70 -13.400 -9.964 4.603 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.167 -9.180 2.373 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.175 -8.789 2.324 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.398 -8.024 1.328 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.191 -7.486 4.296 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -11.895 -5.484 3.704 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -11.033 -6.977 3.262 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -11.851 -6.017 2.006 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -14.368 -5.423 3.685 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -14.400 -5.945 1.984 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -15.291 -6.871 3.215 1.00 1.54 H new ATOM 827 N PRO A 71 -14.662 -11.767 2.024 1.00 1.06 N ATOM 828 CA PRO A 71 -14.394 -13.025 1.332 1.00 1.11 C ATOM 829 C PRO A 71 -14.521 -12.878 -0.184 1.00 1.05 C ATOM 830 O PRO A 71 -13.862 -13.585 -0.948 1.00 1.09 O ATOM 831 CB PRO A 71 -15.463 -13.969 1.883 1.00 1.28 C ATOM 832 CG PRO A 71 -16.586 -13.093 2.317 1.00 1.30 C ATOM 833 CD PRO A 71 -15.986 -11.759 2.676 1.00 1.18 C ATOM 0 HA PRO A 71 -13.378 -13.383 1.498 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -15.790 -14.677 1.122 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -15.077 -14.554 2.718 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -17.321 -12.984 1.520 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -17.105 -13.526 3.172 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -16.602 -10.936 2.315 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -15.897 -11.641 3.756 1.00 1.18 H new ATOM 841 N ASP A 72 -15.350 -11.932 -0.616 1.00 1.04 N ATOM 842 CA ASP A 72 -15.577 -11.704 -2.041 1.00 1.07 C ATOM 843 C ASP A 72 -14.513 -10.784 -2.619 1.00 0.94 C ATOM 844 O ASP A 72 -14.468 -10.547 -3.825 1.00 0.95 O ATOM 845 CB ASP A 72 -16.959 -11.100 -2.275 1.00 1.24 C ATOM 846 CG ASP A 72 -17.894 -12.066 -2.968 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.941 -13.246 -2.567 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.580 -11.648 -3.927 1.00 1.97 O ATOM 0 H ASP A 72 -15.876 -11.311 -0.001 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.519 -12.668 -2.546 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.390 -10.802 -1.319 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -16.862 -10.196 -2.876 1.00 1.24 H new ATOM 853 N TYR A 73 -13.653 -10.277 -1.747 1.00 0.87 N ATOM 854 CA TYR A 73 -12.575 -9.387 -2.156 1.00 0.79 C ATOM 855 C TYR A 73 -11.663 -10.080 -3.156 1.00 0.74 C ATOM 856 O TYR A 73 -11.382 -9.550 -4.230 1.00 0.73 O ATOM 857 CB TYR A 73 -11.759 -8.952 -0.942 1.00 0.78 C ATOM 858 CG TYR A 73 -11.295 -7.521 -1.002 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.112 -6.488 -0.571 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.037 -7.202 -1.491 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.691 -5.177 -0.630 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.608 -5.894 -1.554 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.442 -4.884 -1.106 1.00 0.94 C ATOM 864 OH TYR A 73 -10.015 -3.583 -1.178 1.00 1.13 O ATOM 0 H TYR A 73 -13.681 -10.468 -0.746 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.018 -8.509 -2.626 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.360 -9.092 -0.043 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -10.889 -9.602 -0.849 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.094 -6.714 -0.183 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.382 -7.992 -1.828 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.345 -4.383 -0.301 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.631 -5.659 -1.949 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.006 -3.293 -2.114 1.00 1.13 H new ATOM 874 N HIS A 74 -11.244 -11.288 -2.805 1.00 0.79 N ATOM 875 CA HIS A 74 -10.285 -12.042 -3.607 1.00 0.80 C ATOM 876 C HIS A 74 -10.953 -12.679 -4.824 1.00 0.85 C ATOM 877 O HIS A 74 -10.345 -13.488 -5.529 1.00 0.91 O ATOM 878 CB HIS A 74 -9.621 -13.127 -2.753 1.00 0.89 C ATOM 879 CG HIS A 74 -9.095 -12.634 -1.438 1.00 0.79 C ATOM 880 ND1 HIS A 74 -7.953 -11.876 -1.356 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.590 -12.821 -0.193 1.00 0.91 C ATOM 882 CE1 HIS A 74 -7.781 -11.620 -0.071 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.747 -12.172 0.671 1.00 0.82 N ATOM 0 H HIS A 74 -11.555 -11.772 -1.963 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.527 -11.344 -3.962 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -10.344 -13.922 -2.568 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -8.800 -13.568 -3.318 1.00 0.89 H new ATOM 0 HD1 HIS A 74 -7.359 -11.573 -2.128 1.00 0.91 H new ATOM 0 HD2 HIS A 74 -10.479 -13.375 0.070 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -6.964 -11.039 0.329 1.00 0.78 H new ATOM 891 N LYS A 75 -12.207 -12.325 -5.059 1.00 0.89 N ATOM 892 CA LYS A 75 -12.936 -12.815 -6.219 1.00 0.97 C ATOM 893 C LYS A 75 -12.924 -11.757 -7.314 1.00 0.92 C ATOM 894 O LYS A 75 -13.139 -12.048 -8.491 1.00 1.11 O ATOM 895 CB LYS A 75 -14.370 -13.175 -5.831 1.00 1.09 C ATOM 896 CG LYS A 75 -14.447 -14.203 -4.718 1.00 1.20 C ATOM 897 CD LYS A 75 -15.803 -14.879 -4.684 1.00 1.68 C ATOM 898 CE LYS A 75 -15.890 -15.883 -3.551 1.00 2.05 C ATOM 899 NZ LYS A 75 -17.192 -15.799 -2.840 1.00 2.86 N ATOM 0 H LYS A 75 -12.743 -11.698 -4.459 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.450 -13.716 -6.595 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -14.893 -12.271 -5.519 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.892 -13.558 -6.708 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -13.668 -14.953 -4.858 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -14.255 -13.720 -3.760 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -16.584 -14.127 -4.567 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -15.985 -15.382 -5.634 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -15.756 -16.890 -3.946 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.078 -15.707 -2.845 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -17.176 -16.427 -2.011 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.355 -14.820 -2.529 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -17.957 -16.091 -3.481 1.00 2.86 H new ATOM 913 N ILE A 76 -12.664 -10.520 -6.916 1.00 0.78 N ATOM 914 CA ILE A 76 -12.567 -9.418 -7.857 1.00 0.77 C ATOM 915 C ILE A 76 -11.147 -8.869 -7.871 1.00 0.69 C ATOM 916 O ILE A 76 -10.530 -8.726 -8.928 1.00 0.78 O ATOM 917 CB ILE A 76 -13.561 -8.287 -7.512 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.002 -8.806 -7.573 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.386 -7.099 -8.450 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.874 -8.323 -6.435 1.00 1.00 C ATOM 0 H ILE A 76 -12.516 -10.255 -5.942 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.822 -9.801 -8.845 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.351 -7.951 -6.497 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.450 -8.497 -8.518 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.986 -9.896 -7.569 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.098 -6.318 -8.184 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.371 -6.711 -8.360 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.563 -7.417 -9.477 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.878 -8.732 -6.547 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.451 -8.654 -5.487 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.922 -7.234 -6.450 1.00 1.00 H new ATOM 932 N ILE A 77 -10.627 -8.587 -6.689 1.00 0.58 N ATOM 933 CA ILE A 77 -9.276 -8.076 -6.556 1.00 0.53 C ATOM 934 C ILE A 77 -8.316 -9.225 -6.272 1.00 0.64 C ATOM 935 O ILE A 77 -8.265 -9.749 -5.160 1.00 0.75 O ATOM 936 CB ILE A 77 -9.170 -7.013 -5.437 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.301 -5.983 -5.560 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.815 -6.321 -5.483 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.283 -5.201 -6.857 1.00 0.50 C ATOM 0 H ILE A 77 -11.123 -8.704 -5.805 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.008 -7.594 -7.496 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.268 -7.519 -4.476 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.258 -6.497 -5.471 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.235 -5.285 -4.726 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.759 -5.577 -4.689 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.025 -7.059 -5.345 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.689 -5.831 -6.449 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.113 -4.494 -6.867 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.342 -4.657 -6.941 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.381 -5.888 -7.698 1.00 0.50 H new ATOM 951 N LYS A 78 -7.574 -9.627 -7.294 1.00 0.74 N ATOM 952 CA LYS A 78 -6.637 -10.736 -7.175 1.00 0.90 C ATOM 953 C LYS A 78 -5.318 -10.258 -6.581 1.00 0.73 C ATOM 954 O LYS A 78 -4.465 -11.060 -6.198 1.00 0.72 O ATOM 955 CB LYS A 78 -6.402 -11.379 -8.542 1.00 1.16 C ATOM 956 CG LYS A 78 -7.595 -12.181 -9.043 1.00 1.45 C ATOM 957 CD LYS A 78 -8.010 -11.755 -10.441 1.00 1.67 C ATOM 958 CE LYS A 78 -9.520 -11.769 -10.604 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.928 -11.429 -11.994 1.00 1.99 N ATOM 0 H LYS A 78 -7.603 -9.199 -8.220 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.066 -11.483 -6.507 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.167 -10.600 -9.267 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.532 -12.033 -8.483 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -7.346 -13.242 -9.045 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.434 -12.052 -8.359 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -7.631 -10.754 -10.645 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.558 -12.422 -11.175 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.905 -12.755 -10.343 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.967 -11.058 -9.909 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.965 -11.449 -12.066 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -9.582 -10.478 -12.234 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -9.522 -12.122 -12.654 1.00 1.99 H new ATOM 973 N ASN A 79 -5.162 -8.945 -6.513 1.00 0.67 N ATOM 974 CA ASN A 79 -4.005 -8.337 -5.869 1.00 0.56 C ATOM 975 C ASN A 79 -4.468 -7.377 -4.776 1.00 0.54 C ATOM 976 O ASN A 79 -4.400 -6.158 -4.937 1.00 0.52 O ATOM 977 CB ASN A 79 -3.146 -7.593 -6.894 1.00 0.60 C ATOM 978 CG ASN A 79 -2.083 -8.480 -7.513 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.209 -9.002 -6.821 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.151 -8.659 -8.823 1.00 1.28 N ATOM 0 H ASN A 79 -5.827 -8.275 -6.899 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.399 -9.125 -5.422 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.787 -7.196 -7.681 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.668 -6.740 -6.412 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -1.463 -9.247 -9.294 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.891 -8.209 -9.362 1.00 1.28 H new ATOM 987 N PRO A 80 -4.960 -7.918 -3.652 1.00 0.58 N ATOM 988 CA PRO A 80 -5.532 -7.112 -2.578 1.00 0.60 C ATOM 989 C PRO A 80 -4.470 -6.502 -1.668 1.00 0.55 C ATOM 990 O PRO A 80 -3.898 -7.179 -0.814 1.00 0.64 O ATOM 991 CB PRO A 80 -6.385 -8.120 -1.816 1.00 0.70 C ATOM 992 CG PRO A 80 -5.719 -9.437 -2.020 1.00 0.89 C ATOM 993 CD PRO A 80 -4.986 -9.360 -3.334 1.00 0.67 C ATOM 0 HA PRO A 80 -6.089 -6.255 -2.958 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.440 -7.867 -0.757 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.407 -8.134 -2.193 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.028 -9.650 -1.205 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.453 -10.243 -2.034 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -3.978 -9.768 -3.252 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.498 -9.929 -4.110 1.00 0.67 H new ATOM 1001 N MET A 81 -4.202 -5.221 -1.868 1.00 0.46 N ATOM 1002 CA MET A 81 -3.216 -4.513 -1.068 1.00 0.43 C ATOM 1003 C MET A 81 -3.795 -3.212 -0.551 1.00 0.43 C ATOM 1004 O MET A 81 -4.692 -2.625 -1.163 1.00 0.55 O ATOM 1005 CB MET A 81 -1.953 -4.244 -1.888 1.00 0.44 C ATOM 1006 CG MET A 81 -1.251 -5.511 -2.349 1.00 0.74 C ATOM 1007 SD MET A 81 0.082 -6.017 -1.240 1.00 0.82 S ATOM 1008 CE MET A 81 -0.566 -7.575 -0.642 1.00 0.70 C ATOM 0 H MET A 81 -4.656 -4.649 -2.580 1.00 0.46 H new ATOM 0 HA MET A 81 -2.948 -5.139 -0.217 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.216 -3.645 -2.760 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.261 -3.651 -1.291 1.00 0.44 H new ATOM 0 HG2 MET A 81 -1.980 -6.318 -2.425 1.00 0.74 H new ATOM 0 HG3 MET A 81 -0.846 -5.353 -3.348 1.00 0.74 H new ATOM 0 HE1 MET A 81 0.179 -8.061 -0.012 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.470 -7.394 -0.061 1.00 0.70 H new ATOM 0 HE3 MET A 81 -0.802 -8.220 -1.489 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.268 -2.775 0.572 1.00 0.37 N ATOM 1019 CA ASP A 82 -3.776 -1.609 1.271 1.00 0.36 C ATOM 1020 C ASP A 82 -2.608 -0.780 1.801 1.00 0.35 C ATOM 1021 O ASP A 82 -1.805 -0.276 1.023 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.703 -2.045 2.412 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.137 -3.213 3.198 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.420 -4.368 2.830 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.431 -2.981 4.204 1.00 1.32 O ATOM 0 H ASP A 82 -2.472 -3.219 1.030 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.353 -0.993 0.582 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -4.869 -1.203 3.085 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.674 -2.322 2.003 1.00 0.38 H new ATOM 1030 N MET A 83 -2.496 -0.655 3.114 1.00 0.27 N ATOM 1031 CA MET A 83 -1.392 0.079 3.712 1.00 0.26 C ATOM 1032 C MET A 83 -0.662 -0.798 4.717 1.00 0.25 C ATOM 1033 O MET A 83 0.539 -0.643 4.941 1.00 0.26 O ATOM 1034 CB MET A 83 -1.894 1.355 4.388 1.00 0.31 C ATOM 1035 CG MET A 83 -1.167 2.612 3.937 1.00 0.43 C ATOM 1036 SD MET A 83 -2.248 4.051 3.885 1.00 0.80 S ATOM 1037 CE MET A 83 -2.790 4.117 5.591 1.00 0.38 C ATOM 0 H MET A 83 -3.154 -1.051 3.785 1.00 0.27 H new ATOM 0 HA MET A 83 -0.697 0.361 2.921 1.00 0.26 H new ATOM 0 HB2 MET A 83 -2.959 1.469 4.184 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.785 1.251 5.468 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.336 2.810 4.614 1.00 0.43 H new ATOM 0 HG3 MET A 83 -0.740 2.446 2.948 1.00 0.43 H new ATOM 0 HE1 MET A 83 -3.012 5.149 5.863 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.687 3.509 5.712 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.002 3.733 6.238 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.384 -1.750 5.285 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.812 -2.611 6.289 1.00 0.29 C ATOM 1049 C GLY A 84 -0.078 -3.761 5.652 1.00 0.26 C ATOM 1050 O GLY A 84 0.917 -4.253 6.181 1.00 0.32 O ATOM 0 H GLY A 84 -2.362 -1.940 5.065 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.128 -2.040 6.917 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.599 -2.992 6.939 1.00 0.29 H new ATOM 1054 N THR A 85 -0.569 -4.184 4.500 1.00 0.24 N ATOM 1055 CA THR A 85 0.072 -5.244 3.749 1.00 0.25 C ATOM 1056 C THR A 85 1.386 -4.758 3.157 1.00 0.26 C ATOM 1057 O THR A 85 2.389 -5.476 3.165 1.00 0.32 O ATOM 1058 CB THR A 85 -0.845 -5.753 2.622 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.696 -4.687 2.172 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.692 -6.925 3.095 1.00 0.84 C ATOM 0 H THR A 85 -1.411 -3.807 4.065 1.00 0.24 H new ATOM 0 HA THR A 85 0.271 -6.066 4.437 1.00 0.25 H new ATOM 0 HB THR A 85 -0.219 -6.095 1.797 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.624 -4.882 2.420 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.330 -7.265 2.280 1.00 0.84 H new ATOM 0 HG22 THR A 85 -1.041 -7.740 3.410 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.312 -6.610 3.934 1.00 0.84 H new ATOM 1068 N ILE A 86 1.371 -3.531 2.657 1.00 0.27 N ATOM 1069 CA ILE A 86 2.570 -2.900 2.135 1.00 0.31 C ATOM 1070 C ILE A 86 3.592 -2.714 3.257 1.00 0.29 C ATOM 1071 O ILE A 86 4.783 -2.987 3.084 1.00 0.32 O ATOM 1072 CB ILE A 86 2.225 -1.542 1.475 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.608 -1.780 0.095 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.451 -0.650 1.362 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.880 -0.577 -0.460 1.00 0.97 C ATOM 0 H ILE A 86 0.534 -2.951 2.603 1.00 0.27 H new ATOM 0 HA ILE A 86 3.005 -3.545 1.372 1.00 0.31 H new ATOM 0 HB ILE A 86 1.503 -1.028 2.109 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.396 -2.070 -0.600 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.913 -2.618 0.157 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.172 0.294 0.894 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.854 -0.458 2.356 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.207 -1.146 0.754 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.469 -0.820 -1.440 1.00 0.97 H new ATOM 0 HD12 ILE A 86 0.070 -0.299 0.214 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.575 0.257 -0.555 1.00 0.97 H new ATOM 1087 N LYS A 87 3.110 -2.284 4.421 1.00 0.29 N ATOM 1088 CA LYS A 87 3.965 -2.103 5.586 1.00 0.34 C ATOM 1089 C LYS A 87 4.619 -3.424 6.002 1.00 0.34 C ATOM 1090 O LYS A 87 5.752 -3.426 6.485 1.00 0.38 O ATOM 1091 CB LYS A 87 3.168 -1.488 6.754 1.00 0.41 C ATOM 1092 CG LYS A 87 2.891 -2.441 7.913 1.00 0.49 C ATOM 1093 CD LYS A 87 3.148 -1.783 9.258 1.00 0.69 C ATOM 1094 CE LYS A 87 4.358 -2.385 9.952 1.00 1.08 C ATOM 1095 NZ LYS A 87 4.002 -3.602 10.726 1.00 1.15 N ATOM 0 H LYS A 87 2.129 -2.055 4.580 1.00 0.29 H new ATOM 0 HA LYS A 87 4.762 -1.411 5.316 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.715 -0.626 7.134 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.217 -1.118 6.371 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.856 -2.780 7.866 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.520 -3.325 7.815 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.303 -0.713 9.117 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.269 -1.896 9.893 1.00 0.69 H new ATOM 0 HE2 LYS A 87 5.116 -2.635 9.209 1.00 1.08 H new ATOM 0 HE3 LYS A 87 4.799 -1.645 10.620 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 4.264 -3.468 11.723 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.978 -3.770 10.657 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.514 -4.421 10.340 1.00 1.15 H new ATOM 1109 N LYS A 88 3.914 -4.545 5.809 1.00 0.35 N ATOM 1110 CA LYS A 88 4.457 -5.853 6.170 1.00 0.39 C ATOM 1111 C LYS A 88 5.711 -6.154 5.363 1.00 0.41 C ATOM 1112 O LYS A 88 6.751 -6.510 5.914 1.00 0.46 O ATOM 1113 CB LYS A 88 3.424 -6.956 5.930 1.00 0.42 C ATOM 1114 CG LYS A 88 2.280 -6.953 6.927 1.00 0.73 C ATOM 1115 CD LYS A 88 1.356 -8.140 6.716 1.00 1.26 C ATOM 1116 CE LYS A 88 0.132 -8.059 7.611 1.00 1.68 C ATOM 1117 NZ LYS A 88 -0.188 -9.367 8.236 1.00 2.46 N ATOM 0 H LYS A 88 2.976 -4.570 5.409 1.00 0.35 H new ATOM 0 HA LYS A 88 4.709 -5.826 7.230 1.00 0.39 H new ATOM 0 HB2 LYS A 88 3.017 -6.847 4.925 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.924 -7.924 5.968 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.679 -6.977 7.941 1.00 0.73 H new ATOM 0 HG3 LYS A 88 1.713 -6.027 6.829 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.043 -8.178 5.673 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.897 -9.064 6.920 1.00 1.26 H new ATOM 0 HE2 LYS A 88 0.302 -7.317 8.391 1.00 1.68 H new ATOM 0 HE3 LYS A 88 -0.722 -7.718 7.027 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 -1.030 -9.267 8.839 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 -0.375 -10.070 7.493 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 0.617 -9.681 8.815 1.00 2.46 H new ATOM 1131 N ARG A 89 5.603 -5.992 4.053 1.00 0.40 N ATOM 1132 CA ARG A 89 6.699 -6.313 3.150 1.00 0.44 C ATOM 1133 C ARG A 89 7.856 -5.328 3.305 1.00 0.43 C ATOM 1134 O ARG A 89 9.020 -5.698 3.148 1.00 0.48 O ATOM 1135 CB ARG A 89 6.201 -6.315 1.708 1.00 0.47 C ATOM 1136 CG ARG A 89 5.791 -7.692 1.216 1.00 0.68 C ATOM 1137 CD ARG A 89 4.725 -7.610 0.136 1.00 0.64 C ATOM 1138 NE ARG A 89 5.285 -7.287 -1.177 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.579 -6.748 -2.167 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.303 -6.434 -1.990 1.00 1.16 N ATOM 1141 NH2 ARG A 89 5.147 -6.511 -3.342 1.00 1.03 N ATOM 0 H ARG A 89 4.765 -5.639 3.590 1.00 0.40 H new ATOM 0 HA ARG A 89 7.069 -7.306 3.407 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.350 -5.639 1.624 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.985 -5.924 1.060 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.665 -8.214 0.826 1.00 0.68 H new ATOM 0 HG3 ARG A 89 5.416 -8.281 2.053 1.00 0.68 H new ATOM 0 HD2 ARG A 89 4.196 -8.561 0.078 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.990 -6.853 0.411 1.00 0.64 H new ATOM 0 HE ARG A 89 6.272 -7.486 -1.342 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.856 -6.605 -1.089 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.769 -6.021 -2.754 1.00 1.16 H new ATOM 0 HH21 ARG A 89 6.129 -6.742 -3.489 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.601 -6.098 -4.098 1.00 1.03 H new ATOM 1155 N LEU A 90 7.526 -4.083 3.616 1.00 0.40 N ATOM 1156 CA LEU A 90 8.533 -3.041 3.784 1.00 0.41 C ATOM 1157 C LEU A 90 9.413 -3.312 4.997 1.00 0.44 C ATOM 1158 O LEU A 90 10.636 -3.366 4.886 1.00 0.49 O ATOM 1159 CB LEU A 90 7.864 -1.673 3.935 1.00 0.39 C ATOM 1160 CG LEU A 90 7.716 -0.874 2.641 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.817 0.330 2.858 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.076 -0.435 2.121 1.00 0.45 C ATOM 0 H LEU A 90 6.566 -3.767 3.758 1.00 0.40 H new ATOM 0 HA LEU A 90 9.161 -3.043 2.893 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.875 -1.816 4.370 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.441 -1.081 4.645 1.00 0.39 H new ATOM 0 HG LEU A 90 7.255 -1.519 1.893 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.723 0.887 1.926 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.831 -0.005 3.181 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.250 0.974 3.623 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.947 0.132 1.199 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.566 0.191 2.867 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.691 -1.313 1.924 1.00 0.45 H new ATOM 1174 N GLU A 91 8.783 -3.495 6.150 1.00 0.45 N ATOM 1175 CA GLU A 91 9.514 -3.669 7.403 1.00 0.50 C ATOM 1176 C GLU A 91 10.248 -5.009 7.446 1.00 0.54 C ATOM 1177 O GLU A 91 11.226 -5.168 8.176 1.00 0.64 O ATOM 1178 CB GLU A 91 8.561 -3.547 8.596 1.00 0.53 C ATOM 1179 CG GLU A 91 7.609 -4.724 8.746 1.00 0.76 C ATOM 1180 CD GLU A 91 7.061 -4.865 10.151 1.00 0.94 C ATOM 1181 OE1 GLU A 91 7.768 -4.481 11.105 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.921 -5.352 10.312 1.00 1.39 O ATOM 0 H GLU A 91 7.768 -3.527 6.246 1.00 0.45 H new ATOM 0 HA GLU A 91 10.263 -2.879 7.462 1.00 0.50 H new ATOM 0 HB2 GLU A 91 9.148 -3.448 9.509 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.978 -2.632 8.491 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.780 -4.605 8.049 1.00 0.76 H new ATOM 0 HG3 GLU A 91 8.128 -5.642 8.470 1.00 0.76 H new ATOM 1189 N ASN A 92 9.777 -5.971 6.663 1.00 0.51 N ATOM 1190 CA ASN A 92 10.385 -7.295 6.639 1.00 0.57 C ATOM 1191 C ASN A 92 11.497 -7.364 5.598 1.00 0.60 C ATOM 1192 O ASN A 92 12.166 -8.387 5.467 1.00 0.68 O ATOM 1193 CB ASN A 92 9.331 -8.362 6.347 1.00 0.60 C ATOM 1194 CG ASN A 92 9.285 -9.438 7.414 1.00 0.69 C ATOM 1195 OD1 ASN A 92 10.276 -10.123 7.669 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.131 -9.599 8.045 1.00 1.30 N ATOM 0 H ASN A 92 8.979 -5.860 6.038 1.00 0.51 H new ATOM 0 HA ASN A 92 10.818 -7.484 7.621 1.00 0.57 H new ATOM 0 HB2 ASN A 92 8.352 -7.890 6.269 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.541 -8.821 5.381 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.041 -10.310 8.770 1.00 1.30 H new ATOM 0 HD22 ASN A 92 7.332 -9.012 7.805 1.00 1.30 H new ATOM 1203 N ASN A 93 11.688 -6.261 4.872 1.00 0.58 N ATOM 1204 CA ASN A 93 12.706 -6.173 3.824 1.00 0.62 C ATOM 1205 C ASN A 93 12.471 -7.217 2.740 1.00 0.66 C ATOM 1206 O ASN A 93 13.351 -8.021 2.425 1.00 0.77 O ATOM 1207 CB ASN A 93 14.116 -6.333 4.402 1.00 0.70 C ATOM 1208 CG ASN A 93 14.954 -5.097 4.236 1.00 0.87 C ATOM 1209 OD1 ASN A 93 14.650 -4.044 4.796 1.00 1.75 O ATOM 1210 ND2 ASN A 93 16.022 -5.214 3.480 1.00 1.22 N ATOM 0 H ASN A 93 11.144 -5.407 4.993 1.00 0.58 H new ATOM 0 HA ASN A 93 12.624 -5.181 3.379 1.00 0.62 H new ATOM 0 HB2 ASN A 93 14.044 -6.579 5.461 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.612 -7.172 3.913 1.00 0.70 H new ATOM 0 HD21 ASN A 93 16.637 -4.413 3.338 1.00 1.22 H new ATOM 0 HD22 ASN A 93 16.236 -6.106 3.035 1.00 1.22 H new ATOM 1217 N TYR A 94 11.270 -7.216 2.182 1.00 0.61 N ATOM 1218 CA TYR A 94 10.934 -8.138 1.115 1.00 0.67 C ATOM 1219 C TYR A 94 11.473 -7.632 -0.219 1.00 0.70 C ATOM 1220 O TYR A 94 11.755 -8.414 -1.126 1.00 0.79 O ATOM 1221 CB TYR A 94 9.419 -8.325 1.036 1.00 0.71 C ATOM 1222 CG TYR A 94 8.978 -9.174 -0.130 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.208 -10.542 -0.137 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.346 -8.607 -1.225 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.819 -11.325 -1.204 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.956 -9.380 -2.300 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.193 -10.738 -2.286 1.00 0.85 C ATOM 1228 OH TYR A 94 7.810 -11.505 -3.360 1.00 0.96 O ATOM 0 H TYR A 94 10.514 -6.586 2.452 1.00 0.61 H new ATOM 0 HA TYR A 94 11.396 -9.101 1.332 1.00 0.67 H new ATOM 0 HB2 TYR A 94 9.069 -8.782 1.961 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.943 -7.347 0.964 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.700 -11.002 0.707 1.00 0.77 H new ATOM 0 HD2 TYR A 94 8.156 -7.544 -1.238 1.00 0.74 H new ATOM 0 HE1 TYR A 94 9.003 -12.389 -1.193 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.468 -8.923 -3.148 1.00 0.81 H new ATOM 0 HH TYR A 94 7.364 -12.317 -3.040 1.00 0.96 H new ATOM 1238 N TYR A 95 11.615 -6.323 -0.335 1.00 0.77 N ATOM 1239 CA TYR A 95 12.090 -5.719 -1.572 1.00 0.88 C ATOM 1240 C TYR A 95 13.566 -5.441 -1.516 1.00 0.75 C ATOM 1241 O TYR A 95 14.232 -5.673 -0.509 1.00 1.04 O ATOM 1242 CB TYR A 95 11.403 -4.386 -1.857 1.00 1.17 C ATOM 1243 CG TYR A 95 9.937 -4.336 -1.546 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.016 -4.918 -2.395 1.00 0.92 C ATOM 1245 CD2 TYR A 95 9.475 -3.665 -0.428 1.00 1.05 C ATOM 1246 CE1 TYR A 95 7.671 -4.839 -2.141 1.00 0.96 C ATOM 1247 CE2 TYR A 95 8.130 -3.586 -0.158 1.00 1.09 C ATOM 1248 CZ TYR A 95 7.227 -4.171 -1.021 1.00 1.04 C ATOM 1249 OH TYR A 95 5.880 -4.086 -0.765 1.00 1.28 O ATOM 0 H TYR A 95 11.409 -5.657 0.410 1.00 0.77 H new ATOM 0 HA TYR A 95 11.859 -6.440 -2.356 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.905 -3.608 -1.282 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.542 -4.144 -2.911 1.00 1.17 H new ATOM 0 HD1 TYR A 95 9.361 -5.444 -3.273 1.00 0.92 H new ATOM 0 HD2 TYR A 95 10.181 -3.197 0.242 1.00 1.05 H new ATOM 0 HE1 TYR A 95 6.963 -5.298 -2.815 1.00 0.96 H new ATOM 0 HE2 TYR A 95 7.782 -3.069 0.724 1.00 1.09 H new ATOM 0 HH TYR A 95 5.409 -3.812 -1.580 1.00 1.28 H new ATOM 1259 N TRP A 96 14.048 -4.928 -2.622 1.00 0.72 N ATOM 1260 CA TRP A 96 15.386 -4.404 -2.706 1.00 0.65 C ATOM 1261 C TRP A 96 15.345 -2.908 -2.446 1.00 0.61 C ATOM 1262 O TRP A 96 16.004 -2.390 -1.550 1.00 0.64 O ATOM 1263 CB TRP A 96 15.953 -4.672 -4.094 1.00 0.68 C ATOM 1264 CG TRP A 96 17.419 -4.433 -4.181 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.083 -3.288 -3.865 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.397 -5.362 -4.627 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.428 -3.466 -4.055 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.647 -4.730 -4.534 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.332 -6.671 -5.086 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.831 -5.369 -4.892 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.505 -7.307 -5.443 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.741 -6.655 -5.344 1.00 1.05 C ATOM 0 H TRP A 96 13.519 -4.863 -3.492 1.00 0.72 H new ATOM 0 HA TRP A 96 16.022 -4.888 -1.964 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.742 -5.704 -4.373 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.443 -4.035 -4.817 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.620 -2.377 -3.517 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.150 -2.769 -3.870 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.383 -7.182 -5.162 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.784 -4.867 -4.815 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.469 -8.324 -5.805 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.641 -7.179 -5.631 1.00 1.05 H new ATOM 1283 N SER A 97 14.545 -2.229 -3.240 1.00 0.60 N ATOM 1284 CA SER A 97 14.426 -0.792 -3.164 1.00 0.56 C ATOM 1285 C SER A 97 12.951 -0.404 -3.074 1.00 0.54 C ATOM 1286 O SER A 97 12.072 -1.236 -3.310 1.00 0.55 O ATOM 1287 CB SER A 97 15.076 -0.179 -4.399 1.00 0.58 C ATOM 1288 OG SER A 97 16.467 -0.458 -4.448 1.00 1.00 O ATOM 0 H SER A 97 13.960 -2.659 -3.956 1.00 0.60 H new ATOM 0 HA SER A 97 14.931 -0.417 -2.274 1.00 0.56 H new ATOM 0 HB2 SER A 97 14.594 -0.568 -5.296 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.920 0.900 -4.396 1.00 0.58 H new ATOM 0 HG SER A 97 16.972 0.368 -4.295 1.00 1.00 H new ATOM 1294 N ALA A 98 12.674 0.856 -2.752 1.00 0.54 N ATOM 1295 CA ALA A 98 11.299 1.319 -2.580 1.00 0.56 C ATOM 1296 C ALA A 98 10.559 1.389 -3.910 1.00 0.52 C ATOM 1297 O ALA A 98 9.336 1.531 -3.944 1.00 0.53 O ATOM 1298 CB ALA A 98 11.278 2.674 -1.900 1.00 0.66 C ATOM 0 H ALA A 98 13.382 1.575 -2.605 1.00 0.54 H new ATOM 0 HA ALA A 98 10.785 0.594 -1.949 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.246 3.005 -1.779 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.751 2.597 -0.921 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.821 3.396 -2.510 1.00 0.66 H new ATOM 1304 N SER A 99 11.306 1.280 -4.998 1.00 0.52 N ATOM 1305 CA SER A 99 10.733 1.286 -6.334 1.00 0.54 C ATOM 1306 C SER A 99 9.814 0.078 -6.531 1.00 0.48 C ATOM 1307 O SER A 99 8.921 0.093 -7.375 1.00 0.50 O ATOM 1308 CB SER A 99 11.869 1.283 -7.356 1.00 0.62 C ATOM 1309 OG SER A 99 13.126 1.356 -6.694 1.00 0.85 O ATOM 0 H SER A 99 12.321 1.185 -4.980 1.00 0.52 H new ATOM 0 HA SER A 99 10.128 2.182 -6.471 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.821 0.378 -7.961 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.758 2.128 -8.036 1.00 0.62 H new ATOM 0 HG SER A 99 13.222 2.234 -6.269 1.00 0.85 H new ATOM 1315 N GLU A 100 10.020 -0.952 -5.715 1.00 0.46 N ATOM 1316 CA GLU A 100 9.215 -2.159 -5.781 1.00 0.48 C ATOM 1317 C GLU A 100 7.856 -1.915 -5.126 1.00 0.44 C ATOM 1318 O GLU A 100 6.834 -2.438 -5.566 1.00 0.52 O ATOM 1319 CB GLU A 100 9.955 -3.297 -5.076 1.00 0.56 C ATOM 1320 CG GLU A 100 10.246 -4.496 -5.962 1.00 1.03 C ATOM 1321 CD GLU A 100 11.070 -5.546 -5.246 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.264 -5.291 -4.983 1.00 2.44 O ATOM 1323 OE2 GLU A 100 10.530 -6.638 -4.957 1.00 2.37 O ATOM 0 H GLU A 100 10.744 -0.970 -4.997 1.00 0.46 H new ATOM 0 HA GLU A 100 9.049 -2.434 -6.823 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.896 -2.914 -4.682 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.363 -3.626 -4.222 1.00 0.56 H new ATOM 0 HG2 GLU A 100 9.306 -4.937 -6.294 1.00 1.03 H new ATOM 0 HG3 GLU A 100 10.777 -4.166 -6.855 1.00 1.03 H new ATOM 1330 N CYS A 101 7.862 -1.074 -4.100 1.00 0.41 N ATOM 1331 CA CYS A 101 6.661 -0.773 -3.329 1.00 0.44 C ATOM 1332 C CYS A 101 5.746 0.167 -4.102 1.00 0.38 C ATOM 1333 O CYS A 101 4.544 0.241 -3.841 1.00 0.38 O ATOM 1334 CB CYS A 101 7.041 -0.144 -1.988 1.00 0.57 C ATOM 1335 SG CYS A 101 6.232 -0.896 -0.562 1.00 0.95 S ATOM 0 H CYS A 101 8.696 -0.582 -3.779 1.00 0.41 H new ATOM 0 HA CYS A 101 6.127 -1.706 -3.148 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.121 -0.216 -1.859 1.00 0.57 H new ATOM 0 HB3 CYS A 101 6.793 0.917 -2.014 1.00 0.57 H new ATOM 0 HG CYS A 101 6.601 -2.138 -0.459 1.00 0.95 H new ATOM 1341 N MET A 102 6.324 0.895 -5.052 1.00 0.39 N ATOM 1342 CA MET A 102 5.557 1.804 -5.894 1.00 0.44 C ATOM 1343 C MET A 102 4.475 1.043 -6.652 1.00 0.36 C ATOM 1344 O MET A 102 3.400 1.579 -6.930 1.00 0.39 O ATOM 1345 CB MET A 102 6.479 2.526 -6.877 1.00 0.58 C ATOM 1346 CG MET A 102 6.137 3.996 -7.061 1.00 0.75 C ATOM 1347 SD MET A 102 7.484 4.933 -7.807 1.00 1.02 S ATOM 1348 CE MET A 102 8.395 5.440 -6.350 1.00 1.13 C ATOM 0 H MET A 102 7.323 0.872 -5.258 1.00 0.39 H new ATOM 0 HA MET A 102 5.079 2.545 -5.254 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.508 2.442 -6.527 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.429 2.026 -7.844 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.249 4.083 -7.687 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.889 4.431 -6.093 1.00 0.75 H new ATOM 0 HE1 MET A 102 9.187 6.131 -6.638 1.00 1.13 H new ATOM 0 HE2 MET A 102 7.719 5.933 -5.652 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.834 4.564 -5.872 1.00 1.13 H new ATOM 1358 N GLN A 103 4.765 -0.217 -6.959 1.00 0.34 N ATOM 1359 CA GLN A 103 3.813 -1.079 -7.645 1.00 0.36 C ATOM 1360 C GLN A 103 2.644 -1.406 -6.724 1.00 0.30 C ATOM 1361 O GLN A 103 1.482 -1.366 -7.133 1.00 0.31 O ATOM 1362 CB GLN A 103 4.495 -2.372 -8.096 1.00 0.43 C ATOM 1363 CG GLN A 103 4.607 -2.511 -9.606 1.00 1.36 C ATOM 1364 CD GLN A 103 3.347 -3.081 -10.231 1.00 2.17 C ATOM 1365 OE1 GLN A 103 2.320 -2.408 -10.318 1.00 2.70 O ATOM 1366 NE2 GLN A 103 3.417 -4.329 -10.669 1.00 2.96 N ATOM 0 H GLN A 103 5.656 -0.664 -6.742 1.00 0.34 H new ATOM 0 HA GLN A 103 3.439 -0.553 -8.523 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.494 -2.416 -7.661 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.938 -3.222 -7.702 1.00 0.43 H new ATOM 0 HG2 GLN A 103 4.816 -1.535 -10.043 1.00 1.36 H new ATOM 0 HG3 GLN A 103 5.452 -3.156 -9.847 1.00 1.36 H new ATOM 0 HE21 GLN A 103 4.287 -4.853 -10.578 1.00 2.96 H new ATOM 0 HE22 GLN A 103 2.601 -4.766 -11.097 1.00 2.96 H new ATOM 1375 N ASP A 104 2.963 -1.709 -5.474 1.00 0.30 N ATOM 1376 CA ASP A 104 1.955 -2.090 -4.494 1.00 0.32 C ATOM 1377 C ASP A 104 1.057 -0.914 -4.159 1.00 0.29 C ATOM 1378 O ASP A 104 -0.159 -1.059 -4.073 1.00 0.31 O ATOM 1379 CB ASP A 104 2.616 -2.607 -3.222 1.00 0.48 C ATOM 1380 CG ASP A 104 3.590 -3.725 -3.491 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.187 -4.722 -4.122 1.00 1.87 O ATOM 1382 OD2 ASP A 104 4.766 -3.609 -3.080 1.00 1.09 O ATOM 0 H ASP A 104 3.917 -1.698 -5.113 1.00 0.30 H new ATOM 0 HA ASP A 104 1.348 -2.883 -4.929 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.137 -1.787 -2.728 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.847 -2.957 -2.533 1.00 0.48 H new ATOM 1387 N PHE A 105 1.666 0.253 -3.975 1.00 0.30 N ATOM 1388 CA PHE A 105 0.917 1.472 -3.689 1.00 0.33 C ATOM 1389 C PHE A 105 -0.042 1.788 -4.831 1.00 0.32 C ATOM 1390 O PHE A 105 -1.207 2.116 -4.605 1.00 0.38 O ATOM 1391 CB PHE A 105 1.871 2.642 -3.463 1.00 0.38 C ATOM 1392 CG PHE A 105 1.941 3.090 -2.030 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.014 3.987 -1.528 1.00 0.36 C ATOM 1394 CD2 PHE A 105 2.935 2.616 -1.186 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.075 4.402 -0.213 1.00 0.35 C ATOM 1396 CE2 PHE A 105 2.999 3.026 0.130 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.070 3.916 0.619 1.00 0.33 C ATOM 0 H PHE A 105 2.677 0.381 -4.019 1.00 0.30 H new ATOM 0 HA PHE A 105 0.336 1.314 -2.780 1.00 0.33 H new ATOM 0 HB2 PHE A 105 2.869 2.356 -3.795 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.557 3.482 -4.083 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.235 4.366 -2.172 1.00 0.36 H new ATOM 0 HD2 PHE A 105 3.667 1.918 -1.564 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.348 5.105 0.167 1.00 0.35 H new ATOM 0 HE2 PHE A 105 3.778 2.649 0.776 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.117 4.235 1.650 1.00 0.33 H new ATOM 1407 N ASN A 106 0.453 1.667 -6.060 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.370 1.885 -7.246 1.00 0.34 C ATOM 1409 C ASN A 106 -1.530 0.896 -7.274 1.00 0.32 C ATOM 1410 O ASN A 106 -2.656 1.250 -7.627 1.00 0.38 O ATOM 1411 CB ASN A 106 0.474 1.736 -8.516 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.292 2.095 -9.775 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.645 3.254 -9.996 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.550 1.102 -10.611 1.00 0.97 N ATOM 0 H ASN A 106 1.422 1.419 -6.261 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.770 2.898 -7.206 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.355 2.373 -8.438 1.00 0.36 H new ATOM 0 HB3 ASN A 106 0.829 0.708 -8.593 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -1.059 1.283 -11.476 1.00 0.97 H new ATOM 0 HD22 ASN A 106 -0.240 0.156 -10.390 1.00 0.97 H new ATOM 1421 N THR A 107 -1.240 -0.337 -6.883 1.00 0.29 N ATOM 1422 CA THR A 107 -2.236 -1.396 -6.832 1.00 0.30 C ATOM 1423 C THR A 107 -3.269 -1.141 -5.731 1.00 0.26 C ATOM 1424 O THR A 107 -4.470 -1.306 -5.942 1.00 0.27 O ATOM 1425 CB THR A 107 -1.550 -2.753 -6.595 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.606 -3.004 -7.645 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.566 -3.882 -6.529 1.00 0.39 C ATOM 0 H THR A 107 -0.307 -0.631 -6.592 1.00 0.29 H new ATOM 0 HA THR A 107 -2.757 -1.411 -7.789 1.00 0.30 H new ATOM 0 HB THR A 107 -1.032 -2.712 -5.637 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.146 -2.380 -7.565 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.049 -4.827 -6.361 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.262 -3.698 -5.710 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.116 -3.932 -7.469 1.00 0.39 H new ATOM 1435 N MET A 108 -2.790 -0.737 -4.561 1.00 0.26 N ATOM 1436 CA MET A 108 -3.657 -0.420 -3.430 1.00 0.26 C ATOM 1437 C MET A 108 -4.716 0.611 -3.821 1.00 0.24 C ATOM 1438 O MET A 108 -5.894 0.463 -3.490 1.00 0.27 O ATOM 1439 CB MET A 108 -2.811 0.104 -2.263 1.00 0.32 C ATOM 1440 CG MET A 108 -3.579 0.963 -1.271 1.00 0.62 C ATOM 1441 SD MET A 108 -3.117 2.704 -1.354 1.00 0.88 S ATOM 1442 CE MET A 108 -2.426 2.948 0.280 1.00 0.83 C ATOM 0 H MET A 108 -1.795 -0.620 -4.368 1.00 0.26 H new ATOM 0 HA MET A 108 -4.173 -1.330 -3.123 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.379 -0.745 -1.733 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.981 0.686 -2.664 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.647 0.865 -1.463 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.401 0.592 -0.262 1.00 0.62 H new ATOM 0 HE1 MET A 108 -1.998 3.948 0.348 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.212 2.838 1.027 1.00 0.83 H new ATOM 0 HE3 MET A 108 -1.647 2.207 0.460 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.291 1.640 -4.543 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.187 2.720 -4.931 1.00 0.23 C ATOM 1454 C PHE A 109 -6.195 2.247 -5.973 1.00 0.23 C ATOM 1455 O PHE A 109 -7.387 2.540 -5.870 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.386 3.909 -5.463 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.856 4.801 -4.375 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.721 5.407 -3.477 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.493 5.029 -4.245 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.237 6.221 -2.473 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -2.005 5.844 -3.241 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.878 6.441 -2.354 1.00 0.22 C ATOM 0 H PHE A 109 -3.331 1.749 -4.871 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.740 3.037 -4.047 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.552 3.539 -6.059 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -5.018 4.496 -6.129 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.785 5.240 -3.564 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.806 4.564 -4.936 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.921 6.687 -1.779 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.942 6.013 -3.151 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.500 7.079 -1.569 1.00 0.22 H new ATOM 1472 N THR A 110 -5.721 1.494 -6.961 1.00 0.22 N ATOM 1473 CA THR A 110 -6.587 1.003 -8.025 1.00 0.26 C ATOM 1474 C THR A 110 -7.601 0.012 -7.477 1.00 0.25 C ATOM 1475 O THR A 110 -8.752 -0.012 -7.905 1.00 0.27 O ATOM 1476 CB THR A 110 -5.778 0.336 -9.148 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.564 -0.214 -8.626 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.452 1.338 -10.237 1.00 0.66 C ATOM 0 H THR A 110 -4.745 1.212 -7.046 1.00 0.22 H new ATOM 0 HA THR A 110 -7.109 1.865 -8.439 1.00 0.26 H new ATOM 0 HB THR A 110 -6.383 -0.465 -9.573 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.874 0.481 -8.602 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.879 0.847 -11.023 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.377 1.734 -10.656 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.865 2.155 -9.816 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.154 -0.793 -6.526 1.00 0.24 N ATOM 1487 CA ASN A 111 -8.011 -1.760 -5.839 1.00 0.27 C ATOM 1488 C ASN A 111 -9.292 -1.090 -5.329 1.00 0.26 C ATOM 1489 O ASN A 111 -10.399 -1.557 -5.611 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.225 -2.415 -4.689 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.094 -2.865 -3.529 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -9.133 -3.496 -3.716 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.660 -2.560 -2.312 1.00 1.61 N ATOM 0 H ASN A 111 -6.186 -0.798 -6.205 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.312 -2.536 -6.543 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.681 -3.276 -5.078 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.482 -1.708 -4.321 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.193 -2.851 -1.493 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.793 -2.035 -2.196 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.137 0.014 -4.602 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.273 0.768 -4.092 1.00 0.30 C ATOM 1502 C CYS A 112 -11.150 1.286 -5.233 1.00 0.31 C ATOM 1503 O CYS A 112 -12.376 1.316 -5.119 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.773 1.933 -3.231 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.985 3.249 -2.968 1.00 0.63 S ATOM 0 H CYS A 112 -8.229 0.406 -4.353 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.883 0.103 -3.480 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.463 1.544 -2.261 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.888 2.361 -3.701 1.00 0.36 H new ATOM 0 HG CYS A 112 -11.020 4.022 -4.013 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.519 1.673 -6.334 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.236 2.234 -7.475 1.00 0.36 C ATOM 1513 C TYR A 113 -12.080 1.173 -8.185 1.00 0.41 C ATOM 1514 O TYR A 113 -13.087 1.495 -8.815 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.254 2.846 -8.480 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.421 3.989 -7.935 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -9.889 4.796 -6.905 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.160 4.258 -8.457 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.127 5.838 -6.414 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.391 5.297 -7.968 1.00 0.65 C ATOM 1521 CZ TYR A 113 -7.877 6.082 -6.946 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.118 7.127 -6.463 1.00 0.81 O ATOM 0 H TYR A 113 -9.509 1.609 -6.463 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.899 3.009 -7.089 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.584 2.063 -8.836 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.815 3.203 -9.344 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.864 4.605 -6.482 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.775 3.644 -9.258 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.508 6.459 -5.617 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.414 5.492 -8.385 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.258 7.151 -6.933 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.652 -0.082 -8.095 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.332 -1.179 -8.782 1.00 0.43 C ATOM 1534 C ILE A 114 -13.382 -1.834 -7.892 1.00 0.47 C ATOM 1535 O ILE A 114 -14.532 -2.017 -8.298 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.334 -2.264 -9.237 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -10.241 -1.659 -10.123 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -12.057 -3.382 -9.978 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.965 -2.474 -10.153 1.00 0.44 C ATOM 0 H ILE A 114 -10.836 -0.367 -7.553 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.818 -0.740 -9.653 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.863 -2.685 -8.348 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.622 -1.559 -11.139 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -10.012 -0.654 -9.768 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -11.336 -4.137 -10.291 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.796 -3.837 -9.319 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.557 -2.973 -10.856 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -8.236 -1.985 -10.800 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.560 -2.552 -9.144 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -9.179 -3.472 -10.536 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.979 -2.203 -6.681 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.872 -2.894 -5.761 1.00 0.51 C ATOM 1553 C TYR A 115 -14.998 -1.974 -5.310 1.00 0.52 C ATOM 1554 O TYR A 115 -16.149 -2.395 -5.161 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.097 -3.405 -4.545 1.00 0.54 C ATOM 1556 CG TYR A 115 -13.863 -4.420 -3.727 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -13.956 -5.743 -4.140 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.487 -4.057 -2.543 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -14.650 -6.676 -3.395 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.183 -4.983 -1.791 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.283 -6.282 -2.229 1.00 1.04 C ATOM 1562 OH TYR A 115 -15.955 -7.217 -1.472 1.00 1.22 O ATOM 0 H TYR A 115 -12.042 -2.035 -6.315 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.306 -3.745 -6.286 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.162 -3.852 -4.881 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.835 -2.560 -3.909 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.478 -6.047 -5.059 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.428 -3.033 -2.203 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -14.698 -7.705 -3.720 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.647 -4.687 -0.862 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.344 -6.782 -0.685 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.664 -0.718 -5.098 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.641 0.265 -4.665 1.00 0.41 C ATOM 1574 C ASN A 116 -16.067 1.117 -5.847 1.00 0.45 C ATOM 1575 O ASN A 116 -15.718 0.820 -6.988 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.073 1.145 -3.547 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.405 0.334 -2.452 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.026 -0.534 -1.836 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.135 0.615 -2.205 1.00 0.88 N ATOM 0 H ASN A 116 -13.720 -0.351 -5.218 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.511 -0.258 -4.269 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.350 1.843 -3.970 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.877 1.741 -3.114 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.631 0.104 -1.480 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.660 1.342 -2.740 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.832 2.161 -5.586 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.306 3.029 -6.647 1.00 0.53 C ATOM 1588 C LYS A 117 -16.882 4.465 -6.380 1.00 0.52 C ATOM 1589 O LYS A 117 -16.786 4.878 -5.224 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.830 2.934 -6.775 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.294 1.786 -7.659 1.00 1.20 C ATOM 1592 CD LYS A 117 -19.563 0.523 -6.849 1.00 1.82 C ATOM 1593 CE LYS A 117 -18.777 -0.668 -7.380 1.00 2.62 C ATOM 1594 NZ LYS A 117 -18.703 -1.778 -6.389 1.00 3.47 N ATOM 0 H LYS A 117 -17.138 2.428 -4.650 1.00 0.48 H new ATOM 0 HA LYS A 117 -16.862 2.705 -7.588 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.263 2.816 -5.782 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.212 3.871 -7.180 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.201 2.078 -8.189 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -18.536 1.579 -8.414 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -19.299 0.697 -5.806 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.629 0.295 -6.874 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -19.244 -1.031 -8.296 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -17.768 -0.348 -7.642 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -17.726 -1.871 -6.044 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -19.335 -1.572 -5.589 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -18.996 -2.667 -6.841 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.614 5.244 -7.444 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.183 6.647 -7.323 1.00 0.68 C ATOM 1610 C PRO A 118 -17.181 7.510 -6.554 1.00 0.70 C ATOM 1611 O PRO A 118 -16.836 8.572 -6.036 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.088 7.116 -8.776 1.00 0.79 C ATOM 1613 CG PRO A 118 -15.897 5.875 -9.569 1.00 0.96 C ATOM 1614 CD PRO A 118 -16.681 4.814 -8.854 1.00 0.68 C ATOM 0 HA PRO A 118 -15.250 6.732 -6.765 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.992 7.644 -9.080 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.255 7.805 -8.915 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -16.254 6.004 -10.591 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -14.842 5.608 -9.631 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -17.709 4.762 -9.212 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.244 3.825 -8.995 1.00 0.68 H new ATOM 1622 N THR A 119 -18.411 7.036 -6.477 1.00 0.67 N ATOM 1623 CA THR A 119 -19.469 7.748 -5.784 1.00 0.77 C ATOM 1624 C THR A 119 -19.514 7.387 -4.297 1.00 0.69 C ATOM 1625 O THR A 119 -20.541 7.558 -3.641 1.00 0.78 O ATOM 1626 CB THR A 119 -20.832 7.437 -6.430 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.626 6.810 -7.704 1.00 0.98 O ATOM 1628 CG2 THR A 119 -21.651 8.705 -6.613 1.00 1.23 C ATOM 0 H THR A 119 -18.704 6.151 -6.891 1.00 0.67 H new ATOM 0 HA THR A 119 -19.256 8.814 -5.869 1.00 0.77 H new ATOM 0 HB THR A 119 -21.381 6.766 -5.770 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.493 6.610 -8.114 1.00 0.98 H new ATOM 0 HG21 THR A 119 -22.608 8.457 -7.071 1.00 1.23 H new ATOM 0 HG22 THR A 119 -21.823 9.170 -5.642 1.00 1.23 H new ATOM 0 HG23 THR A 119 -21.110 9.398 -7.257 1.00 1.23 H new ATOM 1636 N ASP A 120 -18.411 6.877 -3.764 1.00 0.59 N ATOM 1637 CA ASP A 120 -18.348 6.552 -2.345 1.00 0.59 C ATOM 1638 C ASP A 120 -17.279 7.358 -1.630 1.00 0.47 C ATOM 1639 O ASP A 120 -16.399 7.951 -2.259 1.00 0.39 O ATOM 1640 CB ASP A 120 -18.082 5.069 -2.112 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.573 4.634 -0.744 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -19.798 4.451 -0.577 1.00 1.19 O ATOM 1643 OD2 ASP A 120 -17.729 4.430 0.150 1.00 1.34 O ATOM 0 H ASP A 120 -17.557 6.681 -4.286 1.00 0.59 H new ATOM 0 HA ASP A 120 -19.325 6.808 -1.936 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -18.579 4.482 -2.884 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -17.014 4.870 -2.199 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.355 7.342 -0.308 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.420 8.062 0.538 1.00 0.51 C ATOM 1650 C ASP A 121 -15.030 7.452 0.439 1.00 0.39 C ATOM 1651 O ASP A 121 -14.033 8.168 0.451 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.899 8.024 1.987 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.220 9.399 2.530 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.125 10.070 1.988 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -16.554 9.827 3.496 1.00 1.44 O ATOM 0 H ASP A 121 -18.069 6.828 0.208 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.371 9.097 0.200 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.786 7.394 2.056 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.131 7.563 2.608 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.970 6.126 0.314 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.690 5.424 0.255 1.00 0.27 C ATOM 1662 C ILE A 122 -12.863 5.876 -0.950 1.00 0.25 C ATOM 1663 O ILE A 122 -11.650 6.065 -0.844 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.864 3.885 0.224 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -12.501 3.199 0.061 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.817 3.466 -0.883 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.888 2.771 1.375 1.00 0.42 C ATOM 0 H ILE A 122 -15.788 5.520 0.252 1.00 0.34 H new ATOM 0 HA ILE A 122 -13.156 5.683 1.169 1.00 0.27 H new ATOM 0 HB ILE A 122 -14.299 3.570 1.173 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -12.616 2.325 -0.580 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.817 3.880 -0.447 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.921 2.381 -0.882 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.792 3.924 -0.717 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -14.423 3.792 -1.845 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.926 2.293 1.189 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.742 3.645 2.010 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -12.553 2.066 1.874 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.516 6.070 -2.093 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.813 6.548 -3.276 1.00 0.25 C ATOM 1681 C VAL A 123 -12.402 8.003 -3.086 1.00 0.24 C ATOM 1682 O VAL A 123 -11.300 8.405 -3.469 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.668 6.416 -4.553 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.312 7.509 -5.554 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.486 5.039 -5.173 1.00 0.32 C ATOM 0 H VAL A 123 -14.514 5.906 -2.223 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.928 5.924 -3.402 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.717 6.535 -4.280 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.926 7.398 -6.448 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.495 8.486 -5.107 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.259 7.426 -5.825 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.096 4.962 -6.073 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.437 4.892 -5.431 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.794 4.275 -4.459 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.290 8.781 -2.478 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.016 10.184 -2.210 1.00 0.31 C ATOM 1697 C LEU A 124 -11.789 10.298 -1.320 1.00 0.29 C ATOM 1698 O LEU A 124 -10.972 11.211 -1.467 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.221 10.850 -1.542 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.086 11.704 -2.469 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.561 11.504 -2.157 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.703 13.170 -2.345 1.00 0.49 C ATOM 0 H LEU A 124 -14.206 8.462 -2.162 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.826 10.696 -3.153 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.846 10.074 -1.099 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.864 11.476 -0.725 1.00 0.37 H new ATOM 0 HG LEU A 124 -14.911 11.388 -3.497 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.161 12.120 -2.827 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.823 10.455 -2.296 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.757 11.794 -1.125 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.327 13.767 -3.011 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.852 13.499 -1.317 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.656 13.297 -2.619 1.00 0.49 H new ATOM 1714 N MET A 125 -11.659 9.335 -0.417 1.00 0.25 N ATOM 1715 CA MET A 125 -10.510 9.258 0.460 1.00 0.26 C ATOM 1716 C MET A 125 -9.259 8.904 -0.327 1.00 0.24 C ATOM 1717 O MET A 125 -8.244 9.584 -0.217 1.00 0.25 O ATOM 1718 CB MET A 125 -10.743 8.225 1.566 1.00 0.35 C ATOM 1719 CG MET A 125 -11.808 8.637 2.566 1.00 0.62 C ATOM 1720 SD MET A 125 -12.457 7.249 3.512 1.00 0.54 S ATOM 1721 CE MET A 125 -13.446 8.119 4.722 1.00 0.62 C ATOM 0 H MET A 125 -12.344 8.593 -0.276 1.00 0.25 H new ATOM 0 HA MET A 125 -10.369 10.236 0.920 1.00 0.26 H new ATOM 0 HB2 MET A 125 -11.030 7.277 1.112 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.806 8.054 2.095 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.389 9.373 3.252 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.627 9.124 2.037 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.760 7.425 5.502 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.856 8.921 5.166 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.326 8.542 4.237 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.347 7.850 -1.133 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.223 7.411 -1.957 1.00 0.27 C ATOM 1733 C ALA A 126 -7.709 8.549 -2.838 1.00 0.25 C ATOM 1734 O ALA A 126 -6.505 8.707 -3.026 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.631 6.221 -2.810 1.00 0.31 C ATOM 0 H ALA A 126 -10.188 7.282 -1.234 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.413 7.108 -1.294 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.785 5.903 -3.419 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.942 5.400 -2.164 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.459 6.505 -3.459 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.637 9.348 -3.354 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.298 10.496 -4.189 1.00 0.30 C ATOM 1743 C GLN A 127 -7.428 11.496 -3.427 1.00 0.28 C ATOM 1744 O GLN A 127 -6.474 12.046 -3.975 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.574 11.182 -4.679 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.789 11.065 -6.179 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.099 11.680 -6.629 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.292 12.894 -6.546 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.011 10.850 -7.109 1.00 1.62 N ATOM 0 H GLN A 127 -9.638 9.220 -3.207 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.729 10.135 -5.046 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.431 10.749 -4.163 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.537 12.237 -4.407 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -8.965 11.553 -6.700 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.768 10.013 -6.464 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.814 9.851 -7.162 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.911 11.210 -7.426 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.758 11.724 -2.161 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.995 12.646 -1.329 1.00 0.28 C ATOM 1760 C ALA A 128 -5.706 11.990 -0.849 1.00 0.24 C ATOM 1761 O ALA A 128 -4.653 12.624 -0.799 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.829 13.107 -0.142 1.00 0.32 C ATOM 0 H ALA A 128 -8.548 11.284 -1.689 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.736 13.518 -1.930 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.244 13.795 0.469 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.725 13.613 -0.501 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.116 12.244 0.458 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.805 10.711 -0.511 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.664 9.923 -0.050 1.00 0.17 C ATOM 1770 C LEU A 129 -3.567 9.900 -1.113 1.00 0.17 C ATOM 1771 O LEU A 129 -2.380 10.014 -0.808 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.115 8.486 0.252 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.587 8.192 1.685 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.343 9.371 2.270 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.462 6.947 1.695 1.00 0.33 C ATOM 0 H LEU A 129 -6.680 10.188 -0.548 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.268 10.381 0.856 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.927 8.235 -0.431 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.287 7.815 0.023 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.707 8.020 2.305 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.663 9.131 3.284 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.693 10.245 2.292 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.217 9.584 1.655 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.794 6.743 2.713 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.330 7.107 1.056 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.890 6.097 1.323 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.992 9.770 -2.364 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.084 9.687 -3.503 1.00 0.22 C ATOM 1789 C GLU A 130 -2.168 10.905 -3.594 1.00 0.20 C ATOM 1790 O GLU A 130 -1.036 10.804 -4.067 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.899 9.565 -4.790 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.370 8.532 -5.770 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.111 8.562 -7.091 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.283 9.662 -7.659 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -4.521 7.486 -7.576 1.00 1.47 O ATOM 0 H GLU A 130 -4.978 9.719 -2.618 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.454 8.808 -3.366 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.927 9.311 -4.532 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.925 10.537 -5.283 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.309 8.711 -5.946 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.456 7.539 -5.330 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.650 12.049 -3.123 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.899 13.291 -3.217 1.00 0.28 C ATOM 1804 C LYS A 131 -0.612 13.192 -2.414 1.00 0.25 C ATOM 1805 O LYS A 131 0.441 13.649 -2.853 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.743 14.467 -2.722 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.210 15.390 -3.834 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.656 15.818 -3.637 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.597 15.027 -4.533 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.819 15.698 -5.840 1.00 2.24 N ATOM 0 H LYS A 131 -3.560 12.140 -2.671 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.646 13.463 -4.263 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.614 14.081 -2.192 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.161 15.044 -2.003 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -2.570 16.272 -3.868 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -3.107 14.885 -4.794 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -4.940 15.677 -2.594 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.755 16.882 -3.853 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.185 14.032 -4.702 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.553 14.895 -4.027 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.466 15.125 -6.419 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -6.236 16.637 -5.682 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.911 15.802 -6.336 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.699 12.555 -1.251 1.00 0.28 N ATOM 1825 CA ILE A 132 0.447 12.414 -0.366 1.00 0.33 C ATOM 1826 C ILE A 132 1.477 11.455 -0.959 1.00 0.26 C ATOM 1827 O ILE A 132 2.678 11.582 -0.707 1.00 0.29 O ATOM 1828 CB ILE A 132 0.025 11.915 1.036 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.181 12.715 1.542 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.189 12.027 2.014 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.575 12.391 2.967 1.00 0.59 C ATOM 0 H ILE A 132 -1.556 12.127 -0.900 1.00 0.28 H new ATOM 0 HA ILE A 132 0.894 13.403 -0.261 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.261 10.866 0.961 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -0.955 13.779 1.470 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -2.032 12.525 0.888 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.875 11.672 2.996 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.023 11.421 1.658 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.503 13.068 2.088 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.435 12.996 3.253 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.834 11.335 3.042 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.740 12.608 3.634 1.00 0.59 H new ATOM 1843 N PHE A 133 1.002 10.512 -1.765 1.00 0.25 N ATOM 1844 CA PHE A 133 1.874 9.524 -2.387 1.00 0.28 C ATOM 1845 C PHE A 133 2.882 10.199 -3.316 1.00 0.26 C ATOM 1846 O PHE A 133 4.083 10.173 -3.056 1.00 0.28 O ATOM 1847 CB PHE A 133 1.040 8.499 -3.161 1.00 0.34 C ATOM 1848 CG PHE A 133 1.859 7.430 -3.828 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.811 6.721 -3.111 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.676 7.135 -5.168 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.562 5.735 -3.722 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.425 6.152 -5.783 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.378 5.459 -5.059 1.00 0.44 C ATOM 0 H PHE A 133 0.015 10.411 -2.003 1.00 0.25 H new ATOM 0 HA PHE A 133 2.427 9.009 -1.602 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.333 8.029 -2.477 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.453 9.019 -3.918 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.967 6.942 -2.065 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.939 7.680 -5.739 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.293 5.181 -3.152 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.267 5.925 -6.827 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.978 4.702 -5.542 1.00 0.44 H new ATOM 1863 N LEU A 134 2.388 10.850 -4.363 1.00 0.27 N ATOM 1864 CA LEU A 134 3.266 11.515 -5.326 1.00 0.34 C ATOM 1865 C LEU A 134 4.006 12.673 -4.661 1.00 0.34 C ATOM 1866 O LEU A 134 5.108 13.042 -5.067 1.00 0.43 O ATOM 1867 CB LEU A 134 2.476 12.024 -6.537 1.00 0.42 C ATOM 1868 CG LEU A 134 0.996 12.330 -6.286 1.00 0.47 C ATOM 1869 CD1 LEU A 134 0.672 13.762 -6.688 1.00 0.64 C ATOM 1870 CD2 LEU A 134 0.118 11.344 -7.046 1.00 0.59 C ATOM 0 H LEU A 134 1.392 10.933 -4.568 1.00 0.27 H new ATOM 0 HA LEU A 134 3.993 10.782 -5.676 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.957 12.929 -6.907 1.00 0.42 H new ATOM 0 HB3 LEU A 134 2.544 11.280 -7.331 1.00 0.42 H new ATOM 0 HG LEU A 134 0.793 12.222 -5.221 1.00 0.47 H new ATOM 0 HD11 LEU A 134 -0.383 13.962 -6.503 1.00 0.64 H new ATOM 0 HD12 LEU A 134 1.280 14.451 -6.102 1.00 0.64 H new ATOM 0 HD13 LEU A 134 0.887 13.900 -7.748 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.931 11.572 -6.859 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.322 11.423 -8.114 1.00 0.59 H new ATOM 0 HD23 LEU A 134 0.334 10.330 -6.710 1.00 0.59 H new ATOM 1882 N GLN A 135 3.394 13.220 -3.622 1.00 0.29 N ATOM 1883 CA GLN A 135 3.969 14.323 -2.868 1.00 0.35 C ATOM 1884 C GLN A 135 5.302 13.928 -2.238 1.00 0.36 C ATOM 1885 O GLN A 135 6.257 14.703 -2.239 1.00 0.55 O ATOM 1886 CB GLN A 135 2.997 14.750 -1.774 1.00 0.37 C ATOM 1887 CG GLN A 135 2.507 16.179 -1.914 1.00 0.51 C ATOM 1888 CD GLN A 135 2.676 16.971 -0.635 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.583 16.708 0.156 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.801 17.940 -0.418 1.00 1.61 N ATOM 0 H GLN A 135 2.485 12.912 -3.278 1.00 0.29 H new ATOM 0 HA GLN A 135 4.148 15.150 -3.555 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.138 14.079 -1.782 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.482 14.635 -0.805 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.053 16.671 -2.719 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.455 16.174 -2.200 1.00 0.51 H new ATOM 0 HE21 GLN A 135 1.065 18.125 -1.100 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.863 18.502 0.431 1.00 1.61 H new ATOM 1899 N LYS A 136 5.358 12.724 -1.695 1.00 0.25 N ATOM 1900 CA LYS A 136 6.556 12.255 -1.015 1.00 0.26 C ATOM 1901 C LYS A 136 7.461 11.488 -1.974 1.00 0.23 C ATOM 1902 O LYS A 136 8.671 11.413 -1.774 1.00 0.25 O ATOM 1903 CB LYS A 136 6.176 11.377 0.178 1.00 0.32 C ATOM 1904 CG LYS A 136 6.131 12.133 1.498 1.00 0.54 C ATOM 1905 CD LYS A 136 4.873 12.982 1.617 1.00 0.50 C ATOM 1906 CE LYS A 136 5.174 14.348 2.213 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.693 15.299 1.195 1.00 1.52 N ATOM 0 H LYS A 136 4.590 12.053 -1.711 1.00 0.25 H new ATOM 0 HA LYS A 136 7.106 13.123 -0.652 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.200 10.928 -0.008 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.893 10.560 0.261 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.171 11.424 2.325 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.010 12.771 1.582 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.422 13.105 0.632 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.142 12.466 2.240 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.268 14.756 2.661 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.905 14.241 3.014 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.532 15.785 1.570 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.951 14.778 0.333 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.959 16.000 0.969 1.00 1.52 H new ATOM 1921 N VAL A 137 6.869 10.931 -3.023 1.00 0.23 N ATOM 1922 CA VAL A 137 7.618 10.167 -4.011 1.00 0.25 C ATOM 1923 C VAL A 137 8.501 11.086 -4.853 1.00 0.30 C ATOM 1924 O VAL A 137 9.605 10.714 -5.242 1.00 0.33 O ATOM 1925 CB VAL A 137 6.673 9.356 -4.927 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.397 8.845 -6.164 1.00 0.35 C ATOM 1927 CG2 VAL A 137 6.057 8.202 -4.157 1.00 0.33 C ATOM 0 H VAL A 137 5.869 10.995 -3.211 1.00 0.23 H new ATOM 0 HA VAL A 137 8.255 9.467 -3.470 1.00 0.25 H new ATOM 0 HB VAL A 137 5.878 10.023 -5.262 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.702 8.279 -6.785 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.787 9.690 -6.732 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.222 8.199 -5.862 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.394 7.639 -4.814 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.847 7.546 -3.791 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.487 8.591 -3.313 1.00 0.33 H new ATOM 1937 N ALA A 138 8.025 12.300 -5.100 1.00 0.34 N ATOM 1938 CA ALA A 138 8.779 13.271 -5.882 1.00 0.43 C ATOM 1939 C ALA A 138 10.004 13.748 -5.114 1.00 0.43 C ATOM 1940 O ALA A 138 10.892 14.392 -5.670 1.00 0.50 O ATOM 1941 CB ALA A 138 7.894 14.449 -6.255 1.00 0.50 C ATOM 0 H ALA A 138 7.120 12.635 -4.770 1.00 0.34 H new ATOM 0 HA ALA A 138 9.118 12.786 -6.797 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.470 15.167 -6.839 1.00 0.50 H new ATOM 0 HB2 ALA A 138 7.049 14.096 -6.846 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.528 14.930 -5.348 1.00 0.50 H new ATOM 1947 N GLN A 139 10.043 13.431 -3.827 1.00 0.39 N ATOM 1948 CA GLN A 139 11.169 13.800 -2.989 1.00 0.43 C ATOM 1949 C GLN A 139 12.059 12.593 -2.721 1.00 0.40 C ATOM 1950 O GLN A 139 13.069 12.696 -2.020 1.00 0.45 O ATOM 1951 CB GLN A 139 10.674 14.395 -1.675 1.00 0.45 C ATOM 1952 CG GLN A 139 9.680 15.525 -1.865 1.00 0.54 C ATOM 1953 CD GLN A 139 10.201 16.853 -1.352 1.00 1.08 C ATOM 1954 OE1 GLN A 139 11.355 16.961 -0.940 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.358 17.870 -1.375 1.00 1.56 N ATOM 0 H GLN A 139 9.306 12.919 -3.343 1.00 0.39 H new ATOM 0 HA GLN A 139 11.759 14.550 -3.515 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.210 13.608 -1.080 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.528 14.763 -1.106 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.440 15.618 -2.924 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.753 15.279 -1.348 1.00 0.54 H new ATOM 0 HE21 GLN A 139 8.409 17.738 -1.725 1.00 1.56 H new ATOM 0 HE22 GLN A 139 9.656 18.787 -1.043 1.00 1.56 H new ATOM 1964 N MET A 140 11.674 11.447 -3.276 1.00 0.35 N ATOM 1965 CA MET A 140 12.452 10.219 -3.128 1.00 0.35 C ATOM 1966 C MET A 140 13.852 10.395 -3.694 1.00 0.40 C ATOM 1967 O MET A 140 14.044 11.120 -4.671 1.00 0.48 O ATOM 1968 CB MET A 140 11.762 9.057 -3.842 1.00 0.38 C ATOM 1969 CG MET A 140 10.742 8.339 -2.982 1.00 0.66 C ATOM 1970 SD MET A 140 11.259 6.675 -2.530 1.00 0.86 S ATOM 1971 CE MET A 140 9.974 5.727 -3.332 1.00 0.67 C ATOM 0 H MET A 140 10.826 11.342 -3.834 1.00 0.35 H new ATOM 0 HA MET A 140 12.523 9.997 -2.063 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.269 9.433 -4.739 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.517 8.342 -4.169 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.565 8.918 -2.076 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.794 8.287 -3.517 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.673 4.903 -2.686 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.115 6.369 -3.525 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.350 5.330 -4.275 1.00 0.67 H new ATOM 1981 N PRO A 141 14.849 9.730 -3.093 1.00 0.42 N ATOM 1982 CA PRO A 141 16.225 9.807 -3.568 1.00 0.52 C ATOM 1983 C PRO A 141 16.409 8.996 -4.845 1.00 0.61 C ATOM 1984 O PRO A 141 16.641 7.785 -4.799 1.00 0.67 O ATOM 1985 CB PRO A 141 17.028 9.205 -2.415 1.00 0.55 C ATOM 1986 CG PRO A 141 16.096 8.264 -1.743 1.00 0.53 C ATOM 1987 CD PRO A 141 14.715 8.842 -1.920 1.00 0.46 C ATOM 0 HA PRO A 141 16.534 10.822 -3.819 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.915 8.687 -2.781 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.371 9.978 -1.728 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.161 7.270 -2.185 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.342 8.160 -0.686 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.974 8.061 -2.093 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.396 9.394 -1.036 1.00 0.46 H new ATOM 1995 N GLN A 142 16.295 9.666 -5.983 1.00 0.76 N ATOM 1996 CA GLN A 142 16.352 8.995 -7.275 1.00 0.94 C ATOM 1997 C GLN A 142 17.788 8.810 -7.737 1.00 0.93 C ATOM 1998 O GLN A 142 18.088 8.844 -8.929 1.00 1.17 O ATOM 1999 CB GLN A 142 15.530 9.759 -8.314 1.00 1.21 C ATOM 2000 CG GLN A 142 14.028 9.602 -8.120 1.00 1.60 C ATOM 2001 CD GLN A 142 13.530 8.215 -8.490 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.983 8.008 -9.570 1.00 2.87 O ATOM 2003 NE2 GLN A 142 13.707 7.255 -7.593 1.00 2.91 N ATOM 0 H GLN A 142 16.162 10.676 -6.038 1.00 0.76 H new ATOM 0 HA GLN A 142 15.916 8.003 -7.161 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.788 10.817 -8.266 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.800 9.410 -9.311 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.777 9.808 -7.080 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.508 10.344 -8.726 1.00 1.60 H new ATOM 0 HE21 GLN A 142 14.166 7.464 -6.706 1.00 2.91 H new ATOM 0 HE22 GLN A 142 13.385 6.308 -7.790 1.00 2.91 H new ATOM 2012 N GLU A 143 18.664 8.637 -6.769 1.00 0.80 N ATOM 2013 CA GLU A 143 20.041 8.311 -7.005 1.00 0.91 C ATOM 2014 C GLU A 143 20.320 6.940 -6.414 1.00 0.87 C ATOM 2015 O GLU A 143 21.105 6.157 -6.951 1.00 1.20 O ATOM 2016 CB GLU A 143 20.900 9.352 -6.318 1.00 1.04 C ATOM 2017 CG GLU A 143 20.252 10.723 -6.268 1.00 1.22 C ATOM 2018 CD GLU A 143 19.701 11.039 -4.894 1.00 1.94 C ATOM 2019 OE1 GLU A 143 19.422 10.094 -4.128 1.00 2.30 O ATOM 2020 OE2 GLU A 143 19.551 12.237 -4.574 1.00 2.70 O ATOM 0 H GLU A 143 18.427 8.722 -5.781 1.00 0.80 H new ATOM 0 HA GLU A 143 20.262 8.298 -8.072 1.00 0.91 H new ATOM 0 HB2 GLU A 143 21.116 9.022 -5.302 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.855 9.427 -6.839 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.984 11.481 -6.548 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.447 10.771 -7.001 1.00 1.22 H new ATOM 2027 N GLU A 144 19.654 6.693 -5.283 1.00 0.77 N ATOM 2028 CA GLU A 144 19.720 5.430 -4.556 1.00 0.77 C ATOM 2029 C GLU A 144 21.042 5.280 -3.820 1.00 0.82 C ATOM 2030 O GLU A 144 22.109 5.619 -4.335 1.00 1.16 O ATOM 2031 CB GLU A 144 19.478 4.231 -5.476 1.00 0.82 C ATOM 2032 CG GLU A 144 18.191 3.487 -5.164 1.00 1.04 C ATOM 2033 CD GLU A 144 18.207 2.816 -3.802 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.482 3.512 -2.802 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.958 1.590 -3.722 1.00 1.87 O ATOM 0 H GLU A 144 19.043 7.380 -4.842 1.00 0.77 H new ATOM 0 HA GLU A 144 18.920 5.450 -3.816 1.00 0.77 H new ATOM 0 HB2 GLU A 144 19.450 4.575 -6.510 1.00 0.82 H new ATOM 0 HB3 GLU A 144 20.318 3.542 -5.392 1.00 0.82 H new ATOM 0 HG2 GLU A 144 17.355 4.185 -5.209 1.00 1.04 H new ATOM 0 HG3 GLU A 144 18.019 2.733 -5.932 1.00 1.04 H new ATOM 2042 N VAL A 145 20.953 4.779 -2.601 1.00 0.63 N ATOM 2043 CA VAL A 145 22.112 4.613 -1.738 1.00 0.68 C ATOM 2044 C VAL A 145 21.959 3.349 -0.906 1.00 0.61 C ATOM 2045 O VAL A 145 21.210 3.331 0.070 1.00 0.61 O ATOM 2046 CB VAL A 145 22.305 5.810 -0.773 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.577 5.634 0.044 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.337 7.137 -1.519 1.00 0.88 C ATOM 0 H VAL A 145 20.075 4.475 -2.180 1.00 0.63 H new ATOM 0 HA VAL A 145 22.984 4.550 -2.389 1.00 0.68 H new ATOM 0 HB VAL A 145 21.448 5.829 -0.099 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.698 6.483 0.717 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.511 4.716 0.627 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.435 5.577 -0.626 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.474 7.951 -0.807 1.00 0.88 H new ATOM 0 HG22 VAL A 145 23.163 7.134 -2.231 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.397 7.277 -2.054 1.00 0.88 H new ATOM 2058 N GLU A 146 22.647 2.291 -1.295 1.00 0.66 N ATOM 2059 CA GLU A 146 22.624 1.060 -0.523 1.00 0.68 C ATOM 2060 C GLU A 146 23.311 1.282 0.814 1.00 0.72 C ATOM 2061 O GLU A 146 24.342 1.955 0.886 1.00 0.75 O ATOM 2062 CB GLU A 146 23.309 -0.072 -1.281 1.00 0.79 C ATOM 2063 CG GLU A 146 22.589 -1.403 -1.154 1.00 1.00 C ATOM 2064 CD GLU A 146 22.459 -2.113 -2.485 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.371 -2.886 -2.843 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.437 -1.900 -3.174 1.00 1.24 O ATOM 0 H GLU A 146 23.225 2.258 -2.135 1.00 0.66 H new ATOM 0 HA GLU A 146 21.585 0.776 -0.355 1.00 0.68 H new ATOM 0 HB2 GLU A 146 23.379 0.196 -2.335 1.00 0.79 H new ATOM 0 HB3 GLU A 146 24.329 -0.182 -0.912 1.00 0.79 H new ATOM 0 HG2 GLU A 146 23.130 -2.041 -0.455 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.597 -1.239 -0.734 1.00 1.00 H new ATOM 2073 N LEU A 147 22.734 0.741 1.872 1.00 0.76 N ATOM 2074 CA LEU A 147 23.266 0.948 3.204 1.00 0.86 C ATOM 2075 C LEU A 147 24.146 -0.226 3.623 1.00 1.01 C ATOM 2076 O LEU A 147 25.305 -0.299 3.159 1.00 1.57 O ATOM 2077 CB LEU A 147 22.131 1.155 4.209 1.00 0.86 C ATOM 2078 CG LEU A 147 21.042 2.138 3.769 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.733 1.833 4.482 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.477 3.572 4.037 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.680 -1.077 4.411 1.00 1.46 O ATOM 0 H LEU A 147 21.899 0.157 1.834 1.00 0.76 H new ATOM 0 HA LEU A 147 23.882 1.847 3.190 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.667 0.190 4.412 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.558 1.507 5.148 1.00 0.86 H new ATOM 0 HG LEU A 147 20.885 2.023 2.696 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.969 2.540 4.159 1.00 0.80 H new ATOM 0 HD12 LEU A 147 19.415 0.819 4.240 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.876 1.921 5.559 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.691 4.256 3.718 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.662 3.703 5.103 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.391 3.785 3.482 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -18.126 -2.634 6.664 1.00 2.17 N ATOM 2095 CA GLY B 311 -18.763 -2.796 5.335 1.00 1.75 C ATOM 2096 C GLY B 311 -18.037 -2.026 4.254 1.00 1.45 C ATOM 2097 O GLY B 311 -18.429 -0.911 3.910 1.00 1.85 O ATOM 0 HA2 GLY B 311 -18.786 -3.854 5.072 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -19.798 -2.458 5.387 1.00 1.75 H new HETATM 2101 OH ALY B 312 -10.839 -0.073 -0.601 1.00 1.52 O HETATM 2102 CH ALY B 312 -10.238 -0.623 0.322 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -8.761 -0.409 0.518 1.00 1.86 C HETATM 2104 NZ ALY B 312 -10.835 -1.423 1.196 1.00 1.27 N HETATM 2105 CE ALY B 312 -12.257 -1.747 1.158 1.00 1.51 C HETATM 2106 CD ALY B 312 -12.996 -1.226 2.378 1.00 1.71 C HETATM 2107 CG ALY B 312 -13.731 -2.345 3.099 1.00 1.76 C HETATM 2108 CB ALY B 312 -14.963 -2.792 2.328 1.00 1.59 C HETATM 2109 CA ALY B 312 -16.212 -1.976 2.654 1.00 1.22 C HETATM 2110 N ALY B 312 -16.971 -2.609 3.722 1.00 1.27 N HETATM 2111 C ALY B 312 -17.077 -1.818 1.409 1.00 1.31 C HETATM 2112 O ALY B 312 -17.699 -2.773 0.942 1.00 1.71 O HETATM 0 HH33 ALY B 312 -8.224 -0.743 -0.370 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -8.566 0.651 0.683 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -8.422 -0.979 1.383 1.00 1.86 H new HETATM 0 HZ ALY B 312 -10.267 -1.835 1.937 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -14.025 -2.007 4.093 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -13.060 -3.193 3.237 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -12.380 -2.828 1.095 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -12.701 -1.322 0.258 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -13.707 -0.458 2.074 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -12.289 -0.754 3.060 1.00 1.71 H new HETATM 0 HCA ALY B 312 -15.902 -0.987 2.992 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -15.157 -3.842 2.545 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -14.760 -2.720 1.260 1.00 1.59 H new HETATM 0 H ALY B 312 -16.638 -3.479 4.138 1.00 1.27 H new ATOM 2127 N GLY B 313 -17.125 -0.604 0.889 1.00 1.29 N ATOM 2128 CA GLY B 313 -17.945 -0.330 -0.268 1.00 1.46 C ATOM 2129 C GLY B 313 -18.853 0.852 -0.037 1.00 1.36 C ATOM 2130 O GLY B 313 -19.320 1.477 -0.986 1.00 1.97 O ATOM 0 H GLY B 313 -16.609 0.199 1.249 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -17.306 -0.136 -1.130 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -18.544 -1.209 -0.507 1.00 1.46 H new ATOM 2134 N LYS B 314 -19.104 1.147 1.233 1.00 1.20 N ATOM 2135 CA LYS B 314 -19.908 2.297 1.614 1.00 1.15 C ATOM 2136 C LYS B 314 -19.401 2.873 2.926 1.00 1.02 C ATOM 2137 O LYS B 314 -19.769 2.410 4.005 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.385 1.909 1.744 1.00 1.53 C ATOM 2139 CG LYS B 314 -22.336 2.886 1.071 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.438 4.195 1.840 1.00 2.24 C ATOM 2141 CE LYS B 314 -22.762 5.359 0.917 1.00 2.95 C ATOM 2142 NZ LYS B 314 -23.687 6.335 1.553 1.00 3.58 N ATOM 0 H LYS B 314 -18.758 0.599 2.021 1.00 1.20 H new ATOM 0 HA LYS B 314 -19.820 3.053 0.834 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -21.531 0.919 1.312 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.641 1.837 2.801 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -21.993 3.086 0.056 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -23.325 2.434 0.990 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -23.210 4.110 2.605 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -21.498 4.389 2.356 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -21.839 5.865 0.635 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -23.211 4.980 -0.001 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -23.881 7.112 0.890 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -24.578 5.859 1.799 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -23.249 6.717 2.415 1.00 3.58 H new HETATM 2156 OH ALY B 315 -16.559 -0.303 6.699 1.00 1.76 O HETATM 2157 CH ALY B 315 -15.368 -0.038 6.879 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -14.372 -1.119 7.187 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.883 1.197 6.815 1.00 1.04 N HETATM 2160 CE ALY B 315 -15.696 2.377 6.527 1.00 1.26 C HETATM 2161 CD ALY B 315 -15.472 2.900 5.117 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.674 4.406 5.042 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.513 4.802 3.835 1.00 0.92 C HETATM 2164 CA ALY B 315 -18.007 4.522 4.007 1.00 0.90 C HETATM 2165 N ALY B 315 -18.541 3.867 2.827 1.00 0.86 N HETATM 2166 C ALY B 315 -18.763 5.816 4.275 1.00 1.19 C HETATM 2167 O ALY B 315 -19.237 6.474 3.347 1.00 1.94 O HETATM 0 HH33 ALY B 315 -14.660 -1.627 8.107 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -14.350 -1.837 6.368 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -13.383 -0.678 7.310 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.885 1.330 6.976 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -14.704 4.901 4.989 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -16.161 4.754 5.953 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -15.461 3.162 7.245 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -16.750 2.131 6.658 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -16.159 2.405 4.431 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -14.462 2.651 4.792 1.00 1.06 H new HETATM 0 HCA ALY B 315 -18.135 3.858 4.862 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -16.150 4.265 2.959 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -16.372 5.865 3.638 1.00 0.92 H new HETATM 0 H ALY B 315 -17.929 3.660 2.038 1.00 0.86 H new ATOM 2182 N LYS B 316 -18.894 6.165 5.545 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.549 7.399 5.940 1.00 1.75 C ATOM 2184 C LYS B 316 -19.008 7.852 7.288 1.00 2.25 C ATOM 2185 O LYS B 316 -18.880 9.073 7.501 1.00 2.57 O ATOM 2186 CB LYS B 316 -21.072 7.214 6.006 1.00 2.43 C ATOM 2187 CG LYS B 316 -21.527 6.151 6.996 1.00 2.91 C ATOM 2188 CD LYS B 316 -23.023 6.239 7.255 1.00 3.60 C ATOM 2189 CE LYS B 316 -23.325 7.005 8.533 1.00 4.12 C ATOM 2190 NZ LYS B 316 -24.665 7.650 8.491 1.00 4.60 N ATOM 0 H LYS B 316 -18.551 5.604 6.325 1.00 1.45 H new ATOM 0 HA LYS B 316 -19.338 8.164 5.193 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -21.531 8.165 6.274 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -21.439 6.952 5.014 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -21.281 5.162 6.609 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -20.986 6.270 7.935 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -23.511 6.729 6.412 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -23.441 5.235 7.325 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -23.276 6.325 9.384 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -22.561 7.766 8.689 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -24.832 8.162 9.381 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -24.704 8.318 7.695 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -25.397 6.922 8.368 1.00 4.60 H new TER 2204 LYS B 316