USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=34 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 X(o=0,f=-0.048) USER MOD Set 1.2: A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 MET CE :methyl 143:sc= -2.39! (180deg=-6.35!) USER MOD Set 2.2: A 102 MET CE :methyl -176:sc= -0.576 (180deg=-0.103) USER MOD Set 2.3: A 140 MET CE :methyl 149:sc= -0.383 (180deg=-0.0535) USER MOD Set 3.1: A 38 GLN : amide:sc= 0.459 K(o=3.4,f=1.7!) USER MOD Set 3.2: A 97 SER OG : rot 159:sc= 1.88 USER MOD Set 3.3: A 99 SER OG : rot 15:sc= 0.915 USER MOD Set 3.4: A 142 GLN : amide:sc= 0.183 K(o=3.4,f=2.9) USER MOD Set 4.1: A 95 TYR OH : rot 149:sc= 0.825 USER MOD Set 4.2: A 101 CYS SG : rot 62:sc= 0.241 USER MOD Set 5.1: A 73 TYR OH : rot 142:sc= 0.0615 USER MOD Set 5.2: A 79 ASN : amide:sc= 0.0776 K(o=1.2,f=-0.44) USER MOD Set 5.3: A 111 ASN : amide:sc= 1.03 K(o=1.2,f=-0.58) USER MOD Set 6.1: A 35 LYS NZ :NH3+ -108:sc= 0.826 (180deg=0) USER MOD Set 6.2: A 40 GLN : amide:sc= 0.205 K(o=0.6,f=-1.8) USER MOD Set 6.3: A 43 GLN : amide:sc= -0.429 X(o=0.6,f=0.73) USER MOD Set 7.1: A 27 SER OG : rot 180:sc= -0.812 USER MOD Set 7.2: A 92 ASN : amide:sc= -0.595 K(o=-1.4,f=-2.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.012 USER MOD Single : A 28 ASN : amide:sc= -0.633 K(o=-0.63,f=-4.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.942 (180deg=0.799) USER MOD Single : A 36 THR OG1 : rot 166:sc= 1.47 USER MOD Single : A 37 ASN : amide:sc= -0.645 K(o=-0.64,f=-0.12) USER MOD Single : A 41 TYR OH : rot -95:sc= 0.308 USER MOD Single : A 44 ASN : amide:sc= 0.0146 X(o=0.015,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 117:sc= 1.27 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= -0.781 K(o=-0.78,f=-0.096) USER MOD Single : A 60 TYR OH : rot -29:sc= 1.19 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.08) USER MOD Single : A 74 HIS : no HD1:sc= -1.99 K(o=-2,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 155:sc= -0.105 (180deg=-0.707) USER MOD Single : A 83 MET CE :methyl -138:sc= -0.0399 (180deg=-2.74!) USER MOD Single : A 85 THR OG1 : rot -160:sc= 0.231 USER MOD Single : A 87 LYS NZ :NH3+ -127:sc= 0.888 (180deg=-1.04) USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 1.08 (180deg=1.03) USER MOD Single : A 93 ASN : amide:sc= -0.176! X(o=-0.18!,f=-0.069) USER MOD Single : A 94 TYR OH : rot -26:sc= -0.299 USER MOD Single : A 103 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.58) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 108 MET CE :methyl -179:sc= -0.152 (180deg=-0.153) USER MOD Single : A 110 THR OG1 : rot -87:sc= 0.958 USER MOD Single : A 112 CYS SG : rot -100:sc= -1.22 USER MOD Single : A 113 TYR OH : rot -156:sc= 1.28 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.65) USER MOD Single : A 117 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.22) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 125 MET CE :methyl -175:sc= -0.0778 (180deg=-0.123) USER MOD Single : A 127 GLN : amide:sc= 0.177 X(o=0.18,f=-0.11) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 314 LYS NZ :NH3+ -141:sc= 1.28 (180deg=-0.652) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 -2.274 -15.887 1.994 1.00 5.93 N ATOM 2 CA PRO A 21 -2.500 -16.568 0.703 1.00 5.16 C ATOM 3 C PRO A 21 -1.358 -17.528 0.398 1.00 4.32 C ATOM 4 O PRO A 21 -0.267 -17.394 0.951 1.00 4.31 O ATOM 5 CB PRO A 21 -2.609 -15.513 -0.389 1.00 4.92 C ATOM 6 CG PRO A 21 -2.362 -14.226 0.319 1.00 5.41 C ATOM 7 CD PRO A 21 -2.659 -14.481 1.780 1.00 6.18 C ATOM 0 HA PRO A 21 -3.421 -17.148 0.751 1.00 5.16 H new ATOM 0 HB2 PRO A 21 -1.876 -15.680 -1.178 1.00 4.92 H new ATOM 0 HB3 PRO A 21 -3.592 -15.527 -0.859 1.00 4.92 H new ATOM 0 HG2 PRO A 21 -1.331 -13.899 0.183 1.00 5.41 H new ATOM 0 HG3 PRO A 21 -3.001 -13.436 -0.076 1.00 5.41 H new ATOM 0 HD2 PRO A 21 -2.089 -13.811 2.424 1.00 6.18 H new ATOM 0 HD3 PRO A 21 -3.713 -14.319 2.005 1.00 6.18 H new ATOM 16 N LEU A 22 -1.613 -18.492 -0.471 1.00 4.14 N ATOM 17 CA LEU A 22 -0.597 -19.454 -0.869 1.00 3.85 C ATOM 18 C LEU A 22 -0.018 -19.074 -2.227 1.00 3.48 C ATOM 19 O LEU A 22 -0.691 -18.437 -3.041 1.00 4.01 O ATOM 20 CB LEU A 22 -1.192 -20.865 -0.919 1.00 4.67 C ATOM 21 CG LEU A 22 -0.199 -21.982 -1.239 1.00 5.12 C ATOM 22 CD1 LEU A 22 0.732 -22.225 -0.060 1.00 5.71 C ATOM 23 CD2 LEU A 22 -0.937 -23.259 -1.613 1.00 5.61 C ATOM 0 H LEU A 22 -2.520 -18.630 -0.917 1.00 4.14 H new ATOM 0 HA LEU A 22 0.205 -19.442 -0.131 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -1.657 -21.080 0.043 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -1.985 -20.881 -1.667 1.00 4.67 H new ATOM 0 HG LEU A 22 0.405 -21.672 -2.092 1.00 5.12 H new ATOM 0 HD11 LEU A 22 1.431 -23.024 -0.307 1.00 5.71 H new ATOM 0 HD12 LEU A 22 1.286 -21.313 0.160 1.00 5.71 H new ATOM 0 HD13 LEU A 22 0.146 -22.513 0.813 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -0.215 -24.044 -1.838 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -1.566 -23.573 -0.780 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -1.559 -23.076 -2.489 1.00 5.61 H new ATOM 35 N GLY A 23 1.231 -19.452 -2.464 1.00 3.17 N ATOM 36 CA GLY A 23 1.890 -19.111 -3.710 1.00 3.45 C ATOM 37 C GLY A 23 2.627 -17.795 -3.604 1.00 2.96 C ATOM 38 O GLY A 23 3.790 -17.684 -3.999 1.00 3.32 O ATOM 0 H GLY A 23 1.802 -19.991 -1.813 1.00 3.17 H new ATOM 0 HA2 GLY A 23 2.591 -19.901 -3.981 1.00 3.45 H new ATOM 0 HA3 GLY A 23 1.151 -19.052 -4.509 1.00 3.45 H new ATOM 42 N SER A 24 1.945 -16.801 -3.070 1.00 2.37 N ATOM 43 CA SER A 24 2.550 -15.509 -2.809 1.00 1.94 C ATOM 44 C SER A 24 3.329 -15.549 -1.499 1.00 1.65 C ATOM 45 O SER A 24 3.046 -16.374 -0.626 1.00 1.75 O ATOM 46 CB SER A 24 1.470 -14.445 -2.755 1.00 2.01 C ATOM 47 OG SER A 24 0.438 -14.809 -1.848 1.00 2.44 O ATOM 0 H SER A 24 0.962 -16.865 -2.806 1.00 2.37 H new ATOM 0 HA SER A 24 3.245 -15.266 -3.613 1.00 1.94 H new ATOM 0 HB2 SER A 24 1.907 -13.494 -2.451 1.00 2.01 H new ATOM 0 HB3 SER A 24 1.049 -14.299 -3.750 1.00 2.01 H new ATOM 0 HG SER A 24 -0.245 -14.106 -1.830 1.00 2.44 H new ATOM 53 N GLU A 25 4.302 -14.667 -1.354 1.00 1.39 N ATOM 54 CA GLU A 25 5.118 -14.632 -0.150 1.00 1.23 C ATOM 55 C GLU A 25 5.240 -13.212 0.381 1.00 1.05 C ATOM 56 O GLU A 25 4.924 -12.239 -0.305 1.00 1.12 O ATOM 57 CB GLU A 25 6.509 -15.195 -0.425 1.00 1.48 C ATOM 58 CG GLU A 25 7.204 -14.502 -1.568 1.00 1.13 C ATOM 59 CD GLU A 25 8.281 -15.347 -2.215 1.00 1.28 C ATOM 60 OE1 GLU A 25 8.276 -16.582 -2.029 1.00 1.64 O ATOM 61 OE2 GLU A 25 9.131 -14.776 -2.930 1.00 1.43 O ATOM 0 H GLU A 25 4.547 -13.966 -2.053 1.00 1.39 H new ATOM 0 HA GLU A 25 4.626 -15.249 0.602 1.00 1.23 H new ATOM 0 HB2 GLU A 25 7.118 -15.102 0.474 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.428 -16.259 -0.647 1.00 1.48 H new ATOM 0 HG2 GLU A 25 6.465 -14.228 -2.321 1.00 1.13 H new ATOM 0 HG3 GLU A 25 7.648 -13.575 -1.206 1.00 1.13 H new ATOM 68 N VAL A 26 5.706 -13.110 1.607 1.00 0.93 N ATOM 69 CA VAL A 26 5.959 -11.826 2.239 1.00 0.84 C ATOM 70 C VAL A 26 7.387 -11.810 2.777 1.00 0.83 C ATOM 71 O VAL A 26 7.904 -10.779 3.220 1.00 0.85 O ATOM 72 CB VAL A 26 4.939 -11.540 3.370 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.170 -12.454 4.563 1.00 0.93 C ATOM 74 CG2 VAL A 26 4.986 -10.076 3.791 1.00 0.83 C ATOM 0 H VAL A 26 5.921 -13.914 2.197 1.00 0.93 H new ATOM 0 HA VAL A 26 5.840 -11.037 1.497 1.00 0.84 H new ATOM 0 HB VAL A 26 3.943 -11.747 2.978 1.00 0.83 H new ATOM 0 HG11 VAL A 26 4.439 -12.230 5.340 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.061 -13.493 4.252 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.175 -12.295 4.954 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.261 -9.902 4.586 1.00 0.83 H new ATOM 0 HG22 VAL A 26 5.985 -9.833 4.152 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.746 -9.444 2.936 1.00 0.83 H new ATOM 84 N SER A 27 8.019 -12.972 2.705 1.00 0.91 N ATOM 85 CA SER A 27 9.383 -13.156 3.133 1.00 1.00 C ATOM 86 C SER A 27 10.008 -14.277 2.323 1.00 1.07 C ATOM 87 O SER A 27 9.329 -15.239 1.960 1.00 1.19 O ATOM 88 CB SER A 27 9.442 -13.522 4.614 1.00 1.15 C ATOM 89 OG SER A 27 8.244 -13.177 5.289 1.00 1.61 O ATOM 0 H SER A 27 7.586 -13.821 2.341 1.00 0.91 H new ATOM 0 HA SER A 27 9.926 -12.224 2.980 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.622 -14.592 4.717 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.283 -13.010 5.082 1.00 1.15 H new ATOM 0 HG SER A 27 8.317 -13.427 6.234 1.00 1.61 H new ATOM 95 N ASN A 28 11.284 -14.152 2.033 1.00 1.07 N ATOM 96 CA ASN A 28 12.001 -15.197 1.323 1.00 1.18 C ATOM 97 C ASN A 28 13.495 -15.111 1.617 1.00 1.23 C ATOM 98 O ASN A 28 14.107 -14.057 1.453 1.00 1.12 O ATOM 99 CB ASN A 28 11.741 -15.094 -0.180 1.00 1.19 C ATOM 100 CG ASN A 28 12.070 -16.377 -0.917 1.00 1.39 C ATOM 101 OD1 ASN A 28 13.220 -16.819 -0.936 1.00 1.60 O ATOM 102 ND2 ASN A 28 11.067 -16.981 -1.531 1.00 1.48 N ATOM 0 H ASN A 28 11.850 -13.339 2.276 1.00 1.07 H new ATOM 0 HA ASN A 28 11.638 -16.165 1.669 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.694 -14.841 -0.348 1.00 1.19 H new ATOM 0 HB3 ASN A 28 12.336 -14.279 -0.593 1.00 1.19 H new ATOM 0 HD21 ASN A 28 11.231 -17.847 -2.045 1.00 1.48 H new ATOM 0 HD22 ASN A 28 10.129 -16.581 -1.491 1.00 1.48 H new ATOM 109 N PRO A 29 14.088 -16.221 2.083 1.00 1.46 N ATOM 110 CA PRO A 29 15.514 -16.282 2.448 1.00 1.60 C ATOM 111 C PRO A 29 16.446 -16.299 1.237 1.00 1.54 C ATOM 112 O PRO A 29 17.501 -15.663 1.243 1.00 1.54 O ATOM 113 CB PRO A 29 15.604 -17.612 3.193 1.00 1.87 C ATOM 114 CG PRO A 29 14.553 -18.449 2.562 1.00 1.86 C ATOM 115 CD PRO A 29 13.409 -17.515 2.313 1.00 1.65 C ATOM 0 HA PRO A 29 15.825 -15.409 3.022 1.00 1.60 H new ATOM 0 HB2 PRO A 29 16.591 -18.063 3.087 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.425 -17.484 4.261 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.908 -18.894 1.633 1.00 1.86 H new ATOM 0 HG3 PRO A 29 14.257 -19.270 3.216 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.818 -17.821 1.450 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.730 -17.470 3.165 1.00 1.65 H new ATOM 123 N SER A 30 16.052 -17.032 0.205 1.00 1.57 N ATOM 124 CA SER A 30 16.877 -17.209 -0.977 1.00 1.63 C ATOM 125 C SER A 30 16.762 -16.000 -1.894 1.00 1.47 C ATOM 126 O SER A 30 17.631 -15.748 -2.730 1.00 1.58 O ATOM 127 CB SER A 30 16.433 -18.472 -1.701 1.00 1.81 C ATOM 128 OG SER A 30 16.262 -19.540 -0.781 1.00 2.18 O ATOM 0 H SER A 30 15.156 -17.518 0.165 1.00 1.57 H new ATOM 0 HA SER A 30 17.922 -17.306 -0.682 1.00 1.63 H new ATOM 0 HB2 SER A 30 15.498 -18.286 -2.229 1.00 1.81 H new ATOM 0 HB3 SER A 30 17.173 -18.747 -2.452 1.00 1.81 H new ATOM 0 HG SER A 30 15.975 -20.344 -1.263 1.00 2.18 H new ATOM 134 N LYS A 31 15.681 -15.266 -1.713 1.00 1.28 N ATOM 135 CA LYS A 31 15.407 -14.063 -2.488 1.00 1.14 C ATOM 136 C LYS A 31 16.297 -12.908 -2.039 1.00 1.01 C ATOM 137 O LYS A 31 16.489 -12.701 -0.840 1.00 1.03 O ATOM 138 CB LYS A 31 13.946 -13.671 -2.292 1.00 1.14 C ATOM 139 CG LYS A 31 13.410 -12.672 -3.290 1.00 1.18 C ATOM 140 CD LYS A 31 12.019 -12.229 -2.878 1.00 1.26 C ATOM 141 CE LYS A 31 11.056 -12.213 -4.050 1.00 1.93 C ATOM 142 NZ LYS A 31 10.821 -13.575 -4.595 1.00 2.75 N ATOM 0 H LYS A 31 14.963 -15.485 -1.022 1.00 1.28 H new ATOM 0 HA LYS A 31 15.612 -14.270 -3.538 1.00 1.14 H new ATOM 0 HB2 LYS A 31 13.335 -14.572 -2.340 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.828 -13.259 -1.290 1.00 1.14 H new ATOM 0 HG2 LYS A 31 14.074 -11.810 -3.347 1.00 1.18 H new ATOM 0 HG3 LYS A 31 13.380 -13.118 -4.284 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.639 -12.899 -2.106 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.071 -11.233 -2.438 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.107 -11.780 -3.734 1.00 1.93 H new ATOM 0 HE3 LYS A 31 11.453 -11.571 -4.837 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 10.094 -13.531 -5.338 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.706 -13.945 -4.998 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 10.498 -14.203 -3.832 1.00 2.75 H new ATOM 156 N PRO A 32 16.877 -12.161 -2.990 1.00 0.99 N ATOM 157 CA PRO A 32 17.559 -10.904 -2.684 1.00 0.97 C ATOM 158 C PRO A 32 16.627 -9.917 -1.999 1.00 0.85 C ATOM 159 O PRO A 32 15.472 -9.751 -2.402 1.00 0.89 O ATOM 160 CB PRO A 32 17.973 -10.369 -4.050 1.00 1.14 C ATOM 161 CG PRO A 32 18.026 -11.567 -4.931 1.00 1.38 C ATOM 162 CD PRO A 32 16.952 -12.492 -4.424 1.00 1.13 C ATOM 0 HA PRO A 32 18.398 -11.050 -2.004 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.256 -9.637 -4.421 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.941 -9.871 -4.002 1.00 1.14 H new ATOM 0 HG2 PRO A 32 17.850 -11.296 -5.972 1.00 1.38 H new ATOM 0 HG3 PRO A 32 19.006 -12.043 -4.887 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.001 -12.320 -4.928 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.213 -13.538 -4.583 1.00 1.13 H new ATOM 170 N GLY A 33 17.140 -9.259 -0.984 1.00 0.83 N ATOM 171 CA GLY A 33 16.338 -8.343 -0.206 1.00 0.79 C ATOM 172 C GLY A 33 17.182 -7.590 0.791 1.00 0.76 C ATOM 173 O GLY A 33 17.400 -8.054 1.911 1.00 0.97 O ATOM 0 H GLY A 33 18.110 -9.341 -0.678 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.839 -7.637 -0.871 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.557 -8.894 0.318 1.00 0.79 H new ATOM 177 N ARG A 34 17.680 -6.442 0.373 1.00 0.81 N ATOM 178 CA ARG A 34 18.546 -5.636 1.211 1.00 0.79 C ATOM 179 C ARG A 34 17.833 -4.364 1.643 1.00 0.79 C ATOM 180 O ARG A 34 16.693 -4.117 1.257 1.00 0.97 O ATOM 181 CB ARG A 34 19.829 -5.285 0.459 1.00 0.82 C ATOM 182 CG ARG A 34 21.072 -5.290 1.331 1.00 1.24 C ATOM 183 CD ARG A 34 22.126 -6.235 0.787 1.00 1.04 C ATOM 184 NE ARG A 34 22.867 -5.640 -0.322 1.00 0.98 N ATOM 185 CZ ARG A 34 24.068 -6.049 -0.720 1.00 1.43 C ATOM 186 NH1 ARG A 34 24.655 -7.081 -0.123 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.686 -5.422 -1.713 1.00 1.56 N ATOM 0 H ARG A 34 17.498 -6.045 -0.549 1.00 0.81 H new ATOM 0 HA ARG A 34 18.802 -6.213 2.100 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.966 -5.994 -0.357 1.00 0.82 H new ATOM 0 HB3 ARG A 34 19.717 -4.299 0.008 1.00 0.82 H new ATOM 0 HG2 ARG A 34 21.481 -4.281 1.390 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.805 -5.585 2.346 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.819 -6.504 1.584 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.650 -7.157 0.453 1.00 1.04 H new ATOM 0 HE ARG A 34 22.436 -4.862 -0.822 1.00 0.98 H new ATOM 0 HH11 ARG A 34 24.184 -7.562 0.643 1.00 1.93 H new ATOM 0 HH12 ARG A 34 25.576 -7.392 -0.431 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.240 -4.627 -2.170 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.607 -5.735 -2.019 1.00 1.56 H new ATOM 201 N LYS A 35 18.505 -3.564 2.448 1.00 0.80 N ATOM 202 CA LYS A 35 17.944 -2.314 2.915 1.00 0.82 C ATOM 203 C LYS A 35 18.636 -1.143 2.242 1.00 0.77 C ATOM 204 O LYS A 35 19.773 -0.811 2.573 1.00 0.93 O ATOM 205 CB LYS A 35 18.102 -2.202 4.426 1.00 0.87 C ATOM 206 CG LYS A 35 16.978 -2.857 5.205 1.00 1.42 C ATOM 207 CD LYS A 35 17.382 -3.122 6.645 1.00 1.71 C ATOM 208 CE LYS A 35 16.847 -2.049 7.581 1.00 1.85 C ATOM 209 NZ LYS A 35 15.439 -2.314 7.979 1.00 2.64 N ATOM 0 H LYS A 35 19.445 -3.760 2.793 1.00 0.80 H new ATOM 0 HA LYS A 35 16.884 -2.293 2.662 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.048 -2.657 4.718 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.157 -1.148 4.700 1.00 0.87 H new ATOM 0 HG2 LYS A 35 16.097 -2.215 5.185 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.699 -3.795 4.725 1.00 1.42 H new ATOM 0 HD2 LYS A 35 17.007 -4.097 6.956 1.00 1.71 H new ATOM 0 HD3 LYS A 35 18.469 -3.161 6.718 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.473 -1.999 8.472 1.00 1.85 H new ATOM 0 HE3 LYS A 35 16.910 -1.077 7.092 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 14.811 -1.633 7.506 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 15.175 -3.280 7.700 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 15.345 -2.214 9.010 1.00 2.64 H new ATOM 223 N THR A 36 17.966 -0.531 1.285 1.00 0.59 N ATOM 224 CA THR A 36 18.511 0.634 0.624 1.00 0.54 C ATOM 225 C THR A 36 17.915 1.907 1.211 1.00 0.46 C ATOM 226 O THR A 36 16.938 1.859 1.966 1.00 0.46 O ATOM 227 CB THR A 36 18.255 0.605 -0.894 1.00 0.56 C ATOM 228 OG1 THR A 36 16.890 0.950 -1.170 1.00 0.54 O ATOM 229 CG2 THR A 36 18.559 -0.767 -1.476 1.00 0.68 C ATOM 0 H THR A 36 17.047 -0.821 0.950 1.00 0.59 H new ATOM 0 HA THR A 36 19.588 0.621 0.789 1.00 0.54 H new ATOM 0 HB THR A 36 18.918 1.334 -1.360 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.789 1.149 -2.124 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.369 -0.757 -2.549 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.605 -1.016 -1.295 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.921 -1.513 -1.002 1.00 0.68 H new ATOM 237 N ASN A 37 18.504 3.040 0.856 1.00 0.42 N ATOM 238 CA ASN A 37 18.032 4.336 1.317 1.00 0.40 C ATOM 239 C ASN A 37 16.613 4.588 0.826 1.00 0.33 C ATOM 240 O ASN A 37 15.783 5.084 1.570 1.00 0.33 O ATOM 241 CB ASN A 37 18.976 5.444 0.832 1.00 0.48 C ATOM 242 CG ASN A 37 18.370 6.832 0.920 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.886 7.252 1.971 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.399 7.559 -0.187 1.00 0.78 N ATOM 0 H ASN A 37 19.318 3.086 0.243 1.00 0.42 H new ATOM 0 HA ASN A 37 18.023 4.340 2.407 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.891 5.417 1.424 1.00 0.48 H new ATOM 0 HB3 ASN A 37 19.259 5.244 -0.201 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.011 8.502 -0.188 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.809 7.175 -1.039 1.00 0.78 H new ATOM 251 N GLN A 38 16.333 4.204 -0.415 1.00 0.33 N ATOM 252 CA GLN A 38 15.016 4.416 -1.005 1.00 0.31 C ATOM 253 C GLN A 38 13.963 3.550 -0.313 1.00 0.26 C ATOM 254 O GLN A 38 12.846 4.003 -0.052 1.00 0.25 O ATOM 255 CB GLN A 38 15.056 4.104 -2.500 1.00 0.36 C ATOM 256 CG GLN A 38 13.897 4.697 -3.281 1.00 0.46 C ATOM 257 CD GLN A 38 13.797 4.134 -4.681 1.00 0.59 C ATOM 258 OE1 GLN A 38 12.921 3.322 -4.979 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.689 4.569 -5.556 1.00 0.55 N ATOM 0 H GLN A 38 17.002 3.744 -1.033 1.00 0.33 H new ATOM 0 HA GLN A 38 14.742 5.462 -0.866 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.991 4.479 -2.915 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.058 3.023 -2.636 1.00 0.36 H new ATOM 0 HG2 GLN A 38 12.966 4.504 -2.747 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.015 5.779 -3.335 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.399 5.242 -5.268 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.667 4.231 -6.518 1.00 0.55 H new ATOM 268 N LEU A 39 14.333 2.309 -0.007 1.00 0.28 N ATOM 269 CA LEU A 39 13.431 1.381 0.665 1.00 0.31 C ATOM 270 C LEU A 39 13.051 1.908 2.042 1.00 0.29 C ATOM 271 O LEU A 39 11.873 1.968 2.398 1.00 0.30 O ATOM 272 CB LEU A 39 14.085 0.003 0.798 1.00 0.38 C ATOM 273 CG LEU A 39 13.311 -0.996 1.656 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.730 -2.098 0.788 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.210 -1.577 2.736 1.00 0.80 C ATOM 0 H LEU A 39 15.254 1.923 -0.215 1.00 0.28 H new ATOM 0 HA LEU A 39 12.527 1.287 0.063 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.214 -0.419 -0.198 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.081 0.129 1.222 1.00 0.38 H new ATOM 0 HG LEU A 39 12.488 -0.474 2.143 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.181 -2.802 1.413 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.054 -1.663 0.052 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.537 -2.621 0.275 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.643 -2.287 3.338 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.053 -2.088 2.271 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.579 -0.773 3.374 1.00 0.80 H new ATOM 287 N GLN A 40 14.059 2.297 2.807 1.00 0.29 N ATOM 288 CA GLN A 40 13.846 2.832 4.142 1.00 0.30 C ATOM 289 C GLN A 40 13.204 4.213 4.070 1.00 0.26 C ATOM 290 O GLN A 40 12.471 4.619 4.978 1.00 0.28 O ATOM 291 CB GLN A 40 15.170 2.896 4.898 1.00 0.36 C ATOM 292 CG GLN A 40 15.606 1.554 5.456 1.00 0.42 C ATOM 293 CD GLN A 40 14.613 0.989 6.449 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.269 -0.190 6.399 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.142 1.826 7.359 1.00 0.83 N ATOM 0 H GLN A 40 15.038 2.252 2.524 1.00 0.29 H new ATOM 0 HA GLN A 40 13.168 2.169 4.679 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.944 3.273 4.230 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.079 3.610 5.716 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.736 0.848 4.636 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.577 1.663 5.940 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.452 2.798 7.367 1.00 0.83 H new ATOM 0 HE22 GLN A 40 13.469 1.500 8.052 1.00 0.83 H new ATOM 304 N TYR A 41 13.483 4.924 2.981 1.00 0.25 N ATOM 305 CA TYR A 41 12.900 6.224 2.729 1.00 0.24 C ATOM 306 C TYR A 41 11.388 6.131 2.661 1.00 0.22 C ATOM 307 O TYR A 41 10.700 6.676 3.508 1.00 0.23 O ATOM 308 CB TYR A 41 13.443 6.792 1.418 1.00 0.24 C ATOM 309 CG TYR A 41 13.037 8.215 1.151 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.860 8.499 0.481 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.829 9.274 1.571 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.483 9.800 0.232 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.460 10.578 1.327 1.00 0.52 C ATOM 314 CZ TYR A 41 12.292 10.840 0.659 1.00 0.53 C ATOM 315 OH TYR A 41 11.909 12.137 0.411 1.00 0.64 O ATOM 0 H TYR A 41 14.122 4.608 2.251 1.00 0.25 H new ATOM 0 HA TYR A 41 13.170 6.888 3.551 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.531 6.732 1.432 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.100 6.167 0.594 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.228 7.689 0.149 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.750 9.072 2.098 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.562 10.008 -0.293 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.088 11.391 1.660 1.00 0.52 H new ATOM 0 HH TYR A 41 12.338 12.453 -0.411 1.00 0.64 H new ATOM 325 N MET A 42 10.872 5.405 1.676 1.00 0.20 N ATOM 326 CA MET A 42 9.436 5.343 1.459 1.00 0.20 C ATOM 327 C MET A 42 8.733 4.798 2.697 1.00 0.21 C ATOM 328 O MET A 42 7.613 5.198 3.007 1.00 0.22 O ATOM 329 CB MET A 42 9.124 4.477 0.232 1.00 0.23 C ATOM 330 CG MET A 42 7.738 3.845 0.246 1.00 0.80 C ATOM 331 SD MET A 42 6.763 4.260 -1.213 1.00 1.07 S ATOM 332 CE MET A 42 7.459 3.125 -2.406 1.00 1.13 C ATOM 0 H MET A 42 11.425 4.855 1.019 1.00 0.20 H new ATOM 0 HA MET A 42 9.065 6.351 1.274 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.222 5.089 -0.664 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.870 3.686 0.161 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.839 2.762 0.313 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.204 4.172 1.138 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.670 2.758 -3.063 1.00 1.13 H new ATOM 0 HE2 MET A 42 8.215 3.639 -2.999 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.917 2.285 -1.884 1.00 1.13 H new ATOM 342 N GLN A 43 9.425 3.915 3.408 1.00 0.24 N ATOM 343 CA GLN A 43 8.908 3.313 4.631 1.00 0.30 C ATOM 344 C GLN A 43 8.514 4.385 5.648 1.00 0.30 C ATOM 345 O GLN A 43 7.363 4.463 6.077 1.00 0.33 O ATOM 346 CB GLN A 43 9.979 2.395 5.224 1.00 0.42 C ATOM 347 CG GLN A 43 9.453 1.347 6.192 1.00 0.84 C ATOM 348 CD GLN A 43 10.554 0.427 6.687 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.664 0.151 7.881 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.380 -0.058 5.770 1.00 0.54 N ATOM 0 H GLN A 43 10.360 3.597 3.153 1.00 0.24 H new ATOM 0 HA GLN A 43 8.014 2.737 4.391 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.497 1.890 4.409 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.718 3.008 5.740 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.984 1.842 7.043 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.680 0.756 5.701 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.257 0.193 4.789 1.00 0.54 H new ATOM 0 HE22 GLN A 43 12.138 -0.682 6.046 1.00 0.54 H new ATOM 359 N ASN A 44 9.474 5.210 6.024 1.00 0.30 N ATOM 360 CA ASN A 44 9.240 6.240 7.031 1.00 0.33 C ATOM 361 C ASN A 44 8.700 7.530 6.425 1.00 0.31 C ATOM 362 O ASN A 44 8.029 8.308 7.097 1.00 0.34 O ATOM 363 CB ASN A 44 10.529 6.526 7.797 1.00 0.37 C ATOM 364 CG ASN A 44 10.969 5.351 8.647 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.402 5.090 9.708 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.983 4.633 8.188 1.00 0.47 N ATOM 0 H ASN A 44 10.423 5.191 5.651 1.00 0.30 H new ATOM 0 HA ASN A 44 8.482 5.858 7.714 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.320 6.776 7.090 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.384 7.398 8.435 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.321 3.830 8.719 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.426 4.883 7.304 1.00 0.47 H new ATOM 373 N VAL A 45 9.020 7.779 5.171 1.00 0.27 N ATOM 374 CA VAL A 45 8.638 9.028 4.532 1.00 0.27 C ATOM 375 C VAL A 45 7.266 8.945 3.870 1.00 0.24 C ATOM 376 O VAL A 45 6.364 9.708 4.202 1.00 0.28 O ATOM 377 CB VAL A 45 9.674 9.456 3.477 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.217 10.706 2.755 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.038 9.669 4.116 1.00 0.30 C ATOM 0 H VAL A 45 9.542 7.137 4.574 1.00 0.27 H new ATOM 0 HA VAL A 45 8.595 9.772 5.328 1.00 0.27 H new ATOM 0 HB VAL A 45 9.765 8.654 2.744 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.963 10.992 2.014 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.267 10.512 2.257 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.091 11.516 3.474 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.755 9.971 3.352 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.967 10.448 4.875 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.372 8.741 4.580 1.00 0.30 H new ATOM 389 N VAL A 46 7.102 8.008 2.951 1.00 0.19 N ATOM 390 CA VAL A 46 5.905 7.975 2.120 1.00 0.19 C ATOM 391 C VAL A 46 4.725 7.345 2.857 1.00 0.19 C ATOM 392 O VAL A 46 3.745 8.029 3.166 1.00 0.19 O ATOM 393 CB VAL A 46 6.148 7.227 0.792 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.891 7.233 -0.069 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.314 7.848 0.033 1.00 0.22 C ATOM 0 H VAL A 46 7.775 7.265 2.761 1.00 0.19 H new ATOM 0 HA VAL A 46 5.661 9.012 1.892 1.00 0.19 H new ATOM 0 HB VAL A 46 6.399 6.192 1.026 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.085 6.700 -1.000 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.080 6.741 0.468 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.608 8.262 -0.292 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.470 7.307 -0.900 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.091 8.892 -0.186 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.217 7.790 0.641 1.00 0.22 H new ATOM 405 N VAL A 47 4.826 6.052 3.163 1.00 0.20 N ATOM 406 CA VAL A 47 3.698 5.335 3.762 1.00 0.23 C ATOM 407 C VAL A 47 3.387 5.862 5.163 1.00 0.23 C ATOM 408 O VAL A 47 2.223 5.980 5.539 1.00 0.25 O ATOM 409 CB VAL A 47 3.915 3.792 3.795 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.374 3.441 3.999 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.053 3.127 4.862 1.00 0.83 C ATOM 0 H VAL A 47 5.661 5.487 3.010 1.00 0.20 H new ATOM 0 HA VAL A 47 2.839 5.525 3.119 1.00 0.23 H new ATOM 0 HB VAL A 47 3.606 3.407 2.823 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.488 2.357 4.017 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.965 3.855 3.182 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.720 3.858 4.945 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.231 2.052 4.855 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.310 3.531 5.841 1.00 0.83 H new ATOM 0 HG23 VAL A 47 2.001 3.322 4.653 1.00 0.83 H new ATOM 421 N LYS A 48 4.416 6.217 5.922 1.00 0.26 N ATOM 422 CA LYS A 48 4.215 6.711 7.279 1.00 0.30 C ATOM 423 C LYS A 48 3.414 8.016 7.295 1.00 0.28 C ATOM 424 O LYS A 48 2.603 8.236 8.193 1.00 0.33 O ATOM 425 CB LYS A 48 5.553 6.911 7.981 1.00 0.36 C ATOM 426 CG LYS A 48 5.748 6.005 9.186 1.00 0.53 C ATOM 427 CD LYS A 48 4.786 6.351 10.315 1.00 1.25 C ATOM 428 CE LYS A 48 3.913 5.163 10.693 1.00 1.79 C ATOM 429 NZ LYS A 48 3.954 4.894 12.153 1.00 2.40 N ATOM 0 H LYS A 48 5.391 6.173 5.625 1.00 0.26 H new ATOM 0 HA LYS A 48 3.639 5.957 7.816 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.358 6.733 7.268 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.635 7.950 8.301 1.00 0.36 H new ATOM 0 HG2 LYS A 48 5.600 4.967 8.888 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.774 6.091 9.543 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.351 6.680 11.187 1.00 1.25 H new ATOM 0 HD3 LYS A 48 4.154 7.186 10.012 1.00 1.25 H new ATOM 0 HE2 LYS A 48 2.885 5.355 10.387 1.00 1.79 H new ATOM 0 HE3 LYS A 48 4.247 4.279 10.150 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 3.348 4.078 12.373 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 4.932 4.686 12.440 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 3.611 5.729 12.670 1.00 2.40 H new ATOM 443 N THR A 49 3.633 8.876 6.308 1.00 0.23 N ATOM 444 CA THR A 49 2.894 10.130 6.232 1.00 0.24 C ATOM 445 C THR A 49 1.492 9.903 5.661 1.00 0.22 C ATOM 446 O THR A 49 0.538 10.577 6.052 1.00 0.24 O ATOM 447 CB THR A 49 3.641 11.186 5.392 1.00 0.28 C ATOM 448 OG1 THR A 49 5.019 11.232 5.786 1.00 0.55 O ATOM 449 CG2 THR A 49 3.019 12.565 5.569 1.00 0.52 C ATOM 0 H THR A 49 4.308 8.731 5.557 1.00 0.23 H new ATOM 0 HA THR A 49 2.805 10.511 7.249 1.00 0.24 H new ATOM 0 HB THR A 49 3.564 10.902 4.342 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.584 10.966 5.031 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.565 13.291 4.966 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.977 12.538 5.249 1.00 0.52 H new ATOM 0 HG23 THR A 49 3.069 12.855 6.619 1.00 0.52 H new ATOM 457 N LEU A 50 1.370 8.942 4.746 1.00 0.20 N ATOM 458 CA LEU A 50 0.063 8.546 4.223 1.00 0.21 C ATOM 459 C LEU A 50 -0.771 7.943 5.349 1.00 0.20 C ATOM 460 O LEU A 50 -1.984 8.138 5.426 1.00 0.21 O ATOM 461 CB LEU A 50 0.226 7.529 3.080 1.00 0.24 C ATOM 462 CG LEU A 50 -0.724 7.693 1.880 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.251 6.339 1.433 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.885 8.622 2.212 1.00 0.29 C ATOM 0 H LEU A 50 2.157 8.425 4.353 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.444 9.426 3.828 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.251 7.586 2.715 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.089 6.528 3.490 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.155 8.142 1.066 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.921 6.472 0.584 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.416 5.702 1.140 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.794 5.871 2.254 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.536 8.716 1.343 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.452 8.212 3.048 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.499 9.604 2.483 1.00 0.29 H new ATOM 476 N TRP A 51 -0.091 7.222 6.229 1.00 0.22 N ATOM 477 CA TRP A 51 -0.709 6.620 7.398 1.00 0.24 C ATOM 478 C TRP A 51 -1.293 7.683 8.325 1.00 0.26 C ATOM 479 O TRP A 51 -2.262 7.433 9.035 1.00 0.29 O ATOM 480 CB TRP A 51 0.334 5.790 8.150 1.00 0.27 C ATOM 481 CG TRP A 51 -0.254 4.753 9.052 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.751 4.948 10.307 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.397 3.357 8.772 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.203 3.762 10.825 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.997 2.767 9.901 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.079 2.551 7.675 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.284 1.404 9.961 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.364 1.200 7.736 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.961 0.638 8.872 1.00 0.39 C ATOM 0 H TRP A 51 0.909 7.038 6.150 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.526 5.979 7.066 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.986 5.301 7.426 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.960 6.459 8.741 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.784 5.899 10.818 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.624 3.639 11.746 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.381 2.976 6.795 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.745 0.967 10.835 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.123 0.567 6.895 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.171 -0.421 8.890 1.00 0.39 H new ATOM 500 N LYS A 52 -0.714 8.873 8.304 1.00 0.27 N ATOM 501 CA LYS A 52 -1.138 9.933 9.208 1.00 0.29 C ATOM 502 C LYS A 52 -2.205 10.819 8.568 1.00 0.30 C ATOM 503 O LYS A 52 -2.317 12.007 8.879 1.00 0.45 O ATOM 504 CB LYS A 52 0.059 10.775 9.633 1.00 0.33 C ATOM 505 CG LYS A 52 0.886 10.142 10.743 1.00 0.48 C ATOM 506 CD LYS A 52 2.326 10.630 10.718 1.00 1.13 C ATOM 507 CE LYS A 52 2.453 12.024 11.311 1.00 1.74 C ATOM 508 NZ LYS A 52 3.860 12.356 11.655 1.00 2.24 N ATOM 0 H LYS A 52 0.047 9.129 7.675 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.576 9.464 10.089 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.699 10.945 8.767 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.294 11.751 9.966 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.439 10.376 11.709 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.867 9.057 10.638 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.956 9.937 11.276 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.691 10.636 9.691 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.071 12.757 10.600 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.834 12.095 12.206 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 3.902 13.315 12.056 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 4.217 11.673 12.353 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 4.446 12.314 10.797 1.00 2.24 H new ATOM 522 N HIS A 53 -2.982 10.240 7.667 1.00 0.25 N ATOM 523 CA HIS A 53 -4.086 10.952 7.049 1.00 0.26 C ATOM 524 C HIS A 53 -5.405 10.507 7.666 1.00 0.31 C ATOM 525 O HIS A 53 -5.655 9.314 7.825 1.00 0.35 O ATOM 526 CB HIS A 53 -4.103 10.719 5.540 1.00 0.24 C ATOM 527 CG HIS A 53 -4.811 11.797 4.781 1.00 0.27 C ATOM 528 ND1 HIS A 53 -6.110 11.645 4.373 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.354 13.001 4.368 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.414 12.752 3.718 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.381 13.602 3.689 1.00 0.39 N ATOM 0 H HIS A 53 -2.868 9.278 7.348 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.953 12.019 7.228 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -3.077 10.645 5.180 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.584 9.763 5.333 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.369 13.410 4.540 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.374 12.946 3.264 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.362 14.521 3.246 1.00 0.39 H new ATOM 539 N GLN A 54 -6.252 11.470 7.999 1.00 0.42 N ATOM 540 CA GLN A 54 -7.511 11.182 8.674 1.00 0.54 C ATOM 541 C GLN A 54 -8.506 10.488 7.746 1.00 0.42 C ATOM 542 O GLN A 54 -9.531 9.978 8.195 1.00 0.47 O ATOM 543 CB GLN A 54 -8.117 12.467 9.232 1.00 0.79 C ATOM 544 CG GLN A 54 -8.182 12.498 10.754 1.00 1.09 C ATOM 545 CD GLN A 54 -6.810 12.450 11.405 1.00 1.24 C ATOM 546 OE1 GLN A 54 -6.217 13.485 11.713 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.300 11.249 11.632 1.00 1.21 N ATOM 0 H GLN A 54 -6.091 12.460 7.813 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.296 10.500 9.496 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.530 13.317 8.884 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -9.123 12.589 8.831 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -8.698 13.404 11.072 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.775 11.653 11.105 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -6.821 10.414 11.363 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -5.386 11.159 12.076 1.00 1.21 H new ATOM 556 N PHE A 55 -8.201 10.461 6.456 1.00 0.36 N ATOM 557 CA PHE A 55 -9.063 9.804 5.483 1.00 0.31 C ATOM 558 C PHE A 55 -8.491 8.439 5.100 1.00 0.27 C ATOM 559 O PHE A 55 -9.115 7.677 4.370 1.00 0.29 O ATOM 560 CB PHE A 55 -9.218 10.685 4.239 1.00 0.36 C ATOM 561 CG PHE A 55 -10.566 11.341 4.093 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.446 11.437 5.162 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.955 11.858 2.866 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.683 12.031 5.007 1.00 0.76 C ATOM 565 CE2 PHE A 55 -12.191 12.455 2.708 1.00 0.93 C ATOM 566 CZ PHE A 55 -13.055 12.540 3.779 1.00 0.86 C ATOM 0 H PHE A 55 -7.363 10.886 6.059 1.00 0.36 H new ATOM 0 HA PHE A 55 -10.045 9.653 5.931 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.453 11.461 4.263 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.028 10.077 3.355 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -11.160 11.043 6.126 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.283 11.793 2.023 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -13.359 12.097 5.846 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.480 12.854 1.747 1.00 0.93 H new ATOM 0 HZ PHE A 55 -14.022 13.005 3.657 1.00 0.86 H new ATOM 576 N ALA A 56 -7.307 8.128 5.619 1.00 0.25 N ATOM 577 CA ALA A 56 -6.644 6.859 5.318 1.00 0.25 C ATOM 578 C ALA A 56 -6.957 5.819 6.385 1.00 0.26 C ATOM 579 O ALA A 56 -6.302 4.786 6.477 1.00 0.28 O ATOM 580 CB ALA A 56 -5.139 7.064 5.203 1.00 0.28 C ATOM 0 H ALA A 56 -6.785 8.736 6.250 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.022 6.493 4.364 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.658 6.112 4.979 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.929 7.774 4.403 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.752 7.453 6.145 1.00 0.28 H new ATOM 586 N TRP A 57 -7.987 6.092 7.167 1.00 0.30 N ATOM 587 CA TRP A 57 -8.339 5.246 8.304 1.00 0.34 C ATOM 588 C TRP A 57 -8.916 3.871 7.900 1.00 0.35 C ATOM 589 O TRP A 57 -8.722 2.901 8.633 1.00 0.40 O ATOM 590 CB TRP A 57 -9.269 5.985 9.284 1.00 0.37 C ATOM 591 CG TRP A 57 -10.653 6.261 8.783 1.00 0.38 C ATOM 592 CD1 TRP A 57 -11.039 7.280 7.965 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.841 5.522 9.093 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.391 7.217 7.740 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.906 6.146 8.421 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.105 4.389 9.869 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.215 5.680 8.504 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.405 3.927 9.951 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.446 4.571 9.271 1.00 0.58 C ATOM 0 H TRP A 57 -8.600 6.897 7.038 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.402 5.031 8.818 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.344 5.397 10.198 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.804 6.933 9.552 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.377 8.028 7.554 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.926 7.863 7.160 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.308 3.884 10.395 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -15.020 6.176 7.982 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.622 3.055 10.550 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.451 4.185 9.354 1.00 0.58 H new ATOM 610 N PRO A 58 -9.629 3.727 6.752 1.00 0.34 N ATOM 611 CA PRO A 58 -10.044 2.405 6.275 1.00 0.40 C ATOM 612 C PRO A 58 -8.876 1.652 5.648 1.00 0.36 C ATOM 613 O PRO A 58 -8.991 0.484 5.291 1.00 0.45 O ATOM 614 CB PRO A 58 -11.118 2.708 5.216 1.00 0.47 C ATOM 615 CG PRO A 58 -11.378 4.175 5.299 1.00 0.40 C ATOM 616 CD PRO A 58 -10.130 4.786 5.857 1.00 0.32 C ATOM 0 HA PRO A 58 -10.411 1.773 7.084 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.773 2.429 4.220 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.028 2.139 5.409 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.608 4.586 4.316 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.235 4.384 5.940 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.412 5.029 5.074 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.337 5.710 6.397 1.00 0.32 H new ATOM 624 N PHE A 59 -7.747 2.340 5.550 1.00 0.31 N ATOM 625 CA PHE A 59 -6.554 1.807 4.915 1.00 0.31 C ATOM 626 C PHE A 59 -5.490 1.516 5.970 1.00 0.31 C ATOM 627 O PHE A 59 -4.325 1.875 5.823 1.00 0.52 O ATOM 628 CB PHE A 59 -6.031 2.816 3.887 1.00 0.36 C ATOM 629 CG PHE A 59 -6.328 2.440 2.463 1.00 0.47 C ATOM 630 CD1 PHE A 59 -5.915 1.221 1.950 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.027 3.306 1.636 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.192 0.873 0.642 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.307 2.964 0.327 1.00 0.87 C ATOM 634 CZ PHE A 59 -6.889 1.746 -0.170 1.00 0.95 C ATOM 0 H PHE A 59 -7.634 3.287 5.911 1.00 0.31 H new ATOM 0 HA PHE A 59 -6.796 0.875 4.404 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.470 3.792 4.094 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.953 2.919 4.009 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -5.370 0.534 2.580 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.357 4.260 2.020 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -5.864 -0.080 0.255 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.852 3.648 -0.306 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.107 1.476 -1.193 1.00 0.95 H new ATOM 644 N TYR A 60 -5.917 0.880 7.050 1.00 0.35 N ATOM 645 CA TYR A 60 -5.041 0.590 8.176 1.00 0.39 C ATOM 646 C TYR A 60 -4.968 -0.906 8.438 1.00 0.45 C ATOM 647 O TYR A 60 -4.118 -1.374 9.197 1.00 0.63 O ATOM 648 CB TYR A 60 -5.571 1.273 9.439 1.00 0.46 C ATOM 649 CG TYR A 60 -5.320 2.760 9.528 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.452 3.408 8.664 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.960 3.513 10.500 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.230 4.769 8.766 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.745 4.869 10.610 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.880 5.493 9.743 1.00 0.45 C ATOM 655 OH TYR A 60 -4.671 6.846 9.855 1.00 0.58 O ATOM 0 H TYR A 60 -6.875 0.552 7.171 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.047 0.964 7.929 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.645 1.099 9.502 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.119 0.793 10.307 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.941 2.842 7.899 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.640 3.027 11.184 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.552 5.262 8.085 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.253 5.439 11.374 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.766 7.064 9.548 1.00 0.58 H new ATOM 665 N GLN A 61 -5.863 -1.652 7.817 1.00 0.46 N ATOM 666 CA GLN A 61 -6.035 -3.052 8.152 1.00 0.55 C ATOM 667 C GLN A 61 -5.849 -3.928 6.924 1.00 0.56 C ATOM 668 O GLN A 61 -6.659 -3.881 5.999 1.00 0.57 O ATOM 669 CB GLN A 61 -7.421 -3.277 8.760 1.00 0.65 C ATOM 670 CG GLN A 61 -7.683 -2.430 9.997 1.00 0.71 C ATOM 671 CD GLN A 61 -8.950 -1.603 9.889 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.963 -1.911 10.517 1.00 1.57 O ATOM 673 NE2 GLN A 61 -8.897 -0.539 9.103 1.00 1.63 N ATOM 0 H GLN A 61 -6.480 -1.312 7.080 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.276 -3.328 8.884 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.179 -3.055 8.009 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.529 -4.330 9.020 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -7.753 -3.081 10.869 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -6.835 -1.766 10.163 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.037 -0.319 8.600 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -9.716 0.061 9.001 1.00 1.63 H new ATOM 682 N PRO A 62 -4.784 -4.750 6.905 1.00 0.63 N ATOM 683 CA PRO A 62 -4.485 -5.618 5.769 1.00 0.68 C ATOM 684 C PRO A 62 -5.655 -6.537 5.442 1.00 0.69 C ATOM 685 O PRO A 62 -6.212 -7.197 6.325 1.00 0.77 O ATOM 686 CB PRO A 62 -3.266 -6.429 6.226 1.00 0.78 C ATOM 687 CG PRO A 62 -3.184 -6.243 7.702 1.00 0.87 C ATOM 688 CD PRO A 62 -3.804 -4.906 7.991 1.00 0.73 C ATOM 0 HA PRO A 62 -4.297 -5.049 4.858 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.379 -7.483 5.970 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -2.357 -6.078 5.737 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -3.714 -7.039 8.225 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.149 -6.273 8.041 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.282 -4.887 8.971 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.062 -4.107 7.982 1.00 0.73 H new ATOM 696 N VAL A 63 -6.032 -6.557 4.174 1.00 0.66 N ATOM 697 CA VAL A 63 -7.174 -7.332 3.725 1.00 0.69 C ATOM 698 C VAL A 63 -6.930 -8.829 3.904 1.00 0.77 C ATOM 699 O VAL A 63 -6.177 -9.457 3.156 1.00 0.88 O ATOM 700 CB VAL A 63 -7.527 -7.011 2.253 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.418 -8.086 1.653 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.208 -5.655 2.161 1.00 0.75 C ATOM 0 H VAL A 63 -5.558 -6.040 3.433 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.024 -7.050 4.346 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.599 -6.985 1.682 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.648 -7.832 0.618 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -7.902 -9.046 1.685 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.343 -8.153 2.225 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.452 -5.440 1.121 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.123 -5.667 2.753 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.538 -4.885 2.543 1.00 0.75 H new ATOM 712 N ASP A 64 -7.550 -9.378 4.937 1.00 0.79 N ATOM 713 CA ASP A 64 -7.530 -10.812 5.184 1.00 0.93 C ATOM 714 C ASP A 64 -8.911 -11.383 4.930 1.00 1.00 C ATOM 715 O ASP A 64 -9.323 -12.357 5.559 1.00 1.51 O ATOM 716 CB ASP A 64 -7.090 -11.103 6.621 1.00 1.02 C ATOM 717 CG ASP A 64 -6.354 -12.418 6.749 1.00 1.29 C ATOM 718 OD1 ASP A 64 -5.956 -12.985 5.714 1.00 1.85 O ATOM 719 OD2 ASP A 64 -6.164 -12.885 7.892 1.00 1.42 O ATOM 0 H ASP A 64 -8.080 -8.844 5.626 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.815 -11.282 4.509 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.447 -10.295 6.971 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.966 -11.117 7.270 1.00 1.02 H new ATOM 724 N ALA A 65 -9.616 -10.741 4.000 1.00 0.94 N ATOM 725 CA ALA A 65 -10.978 -11.109 3.625 1.00 0.94 C ATOM 726 C ALA A 65 -11.911 -11.123 4.831 1.00 1.03 C ATOM 727 O ALA A 65 -12.514 -10.109 5.163 1.00 1.29 O ATOM 728 CB ALA A 65 -11.008 -12.448 2.905 1.00 0.96 C ATOM 0 H ALA A 65 -9.252 -9.942 3.481 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.339 -10.345 2.937 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.036 -12.695 2.639 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.403 -12.388 2.000 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.607 -13.222 3.559 1.00 0.96 H new ATOM 734 N ILE A 66 -11.988 -12.261 5.505 1.00 1.03 N ATOM 735 CA ILE A 66 -12.946 -12.461 6.590 1.00 1.14 C ATOM 736 C ILE A 66 -12.686 -11.498 7.748 1.00 1.13 C ATOM 737 O ILE A 66 -13.621 -11.015 8.386 1.00 1.19 O ATOM 738 CB ILE A 66 -12.899 -13.916 7.108 1.00 1.24 C ATOM 739 CG1 ILE A 66 -13.130 -14.905 5.957 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.925 -14.130 8.212 1.00 1.37 C ATOM 741 CD1 ILE A 66 -14.403 -14.652 5.175 1.00 1.89 C ATOM 0 H ILE A 66 -11.394 -13.069 5.319 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.937 -12.259 6.184 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.908 -14.098 7.525 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -12.281 -14.858 5.275 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -13.159 -15.917 6.361 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -13.874 -15.161 8.561 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.713 -13.455 9.041 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -14.924 -13.927 7.825 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -14.495 -15.392 4.380 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -15.261 -14.729 5.842 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -14.370 -13.653 4.740 1.00 1.89 H new ATOM 753 N LYS A 67 -11.416 -11.197 7.978 1.00 1.10 N ATOM 754 CA LYS A 67 -10.998 -10.339 9.087 1.00 1.15 C ATOM 755 C LYS A 67 -11.657 -8.956 9.024 1.00 1.13 C ATOM 756 O LYS A 67 -11.897 -8.327 10.055 1.00 1.27 O ATOM 757 CB LYS A 67 -9.478 -10.201 9.066 1.00 1.21 C ATOM 758 CG LYS A 67 -8.920 -9.261 10.120 1.00 1.50 C ATOM 759 CD LYS A 67 -7.914 -8.295 9.518 1.00 1.90 C ATOM 760 CE LYS A 67 -7.581 -7.165 10.477 1.00 2.46 C ATOM 761 NZ LYS A 67 -6.115 -6.994 10.643 1.00 2.99 N ATOM 0 H LYS A 67 -10.644 -11.538 7.405 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.319 -10.804 10.019 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.034 -11.187 9.204 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.171 -9.847 8.082 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -9.735 -8.702 10.580 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -8.444 -9.840 10.911 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -7.002 -8.833 9.258 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -8.315 -7.881 8.593 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.015 -6.236 10.108 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -8.035 -7.366 11.447 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -5.929 -6.213 11.305 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -5.703 -7.872 11.019 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -5.684 -6.777 9.722 1.00 2.99 H new ATOM 775 N LEU A 68 -11.960 -8.491 7.819 1.00 1.02 N ATOM 776 CA LEU A 68 -12.535 -7.164 7.640 1.00 1.03 C ATOM 777 C LEU A 68 -13.803 -7.232 6.796 1.00 1.05 C ATOM 778 O LEU A 68 -14.282 -6.218 6.296 1.00 1.10 O ATOM 779 CB LEU A 68 -11.514 -6.239 6.982 1.00 1.02 C ATOM 780 CG LEU A 68 -11.654 -4.752 7.336 1.00 1.07 C ATOM 781 CD1 LEU A 68 -11.444 -4.525 8.827 1.00 1.61 C ATOM 782 CD2 LEU A 68 -10.675 -3.917 6.525 1.00 1.66 C ATOM 0 H LEU A 68 -11.818 -9.011 6.953 1.00 1.02 H new ATOM 0 HA LEU A 68 -12.799 -6.767 8.620 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.514 -6.570 7.263 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -11.594 -6.347 5.900 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.667 -4.438 7.086 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -11.548 -3.464 9.052 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.188 -5.090 9.389 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -10.445 -4.859 9.109 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -10.788 -2.865 6.789 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -9.656 -4.238 6.742 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -10.878 -4.048 5.462 1.00 1.66 H new ATOM 794 N ASN A 69 -14.323 -8.443 6.644 1.00 1.06 N ATOM 795 CA ASN A 69 -15.550 -8.690 5.879 1.00 1.12 C ATOM 796 C ASN A 69 -15.387 -8.276 4.417 1.00 1.09 C ATOM 797 O ASN A 69 -16.145 -7.456 3.896 1.00 1.15 O ATOM 798 CB ASN A 69 -16.753 -7.973 6.505 1.00 1.24 C ATOM 799 CG ASN A 69 -18.081 -8.504 5.989 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.710 -7.907 5.115 1.00 1.74 O ATOM 801 ND2 ASN A 69 -18.519 -9.628 6.530 1.00 1.55 N ATOM 0 H ASN A 69 -13.910 -9.285 7.045 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.738 -9.763 5.911 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.716 -8.087 7.588 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.686 -6.906 6.294 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -19.406 -10.029 6.225 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -17.970 -10.094 7.252 1.00 1.55 H new ATOM 808 N LEU A 70 -14.379 -8.837 3.764 1.00 1.04 N ATOM 809 CA LEU A 70 -14.165 -8.622 2.338 1.00 1.01 C ATOM 810 C LEU A 70 -14.218 -9.949 1.581 1.00 0.99 C ATOM 811 O LEU A 70 -13.197 -10.446 1.113 1.00 0.95 O ATOM 812 CB LEU A 70 -12.812 -7.925 2.095 1.00 1.01 C ATOM 813 CG LEU A 70 -12.835 -6.390 2.096 1.00 1.13 C ATOM 814 CD1 LEU A 70 -14.231 -5.860 1.816 1.00 1.61 C ATOM 815 CD2 LEU A 70 -12.321 -5.866 3.425 1.00 1.54 C ATOM 0 H LEU A 70 -13.691 -9.449 4.202 1.00 1.04 H new ATOM 0 HA LEU A 70 -14.962 -7.978 1.966 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.112 -8.258 2.861 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -12.420 -8.262 1.136 1.00 1.01 H new ATOM 0 HG LEU A 70 -12.182 -6.037 1.298 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -14.215 -4.770 1.823 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -14.565 -6.211 0.840 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -14.917 -6.218 2.584 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -12.340 -4.776 3.418 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -12.955 -6.235 4.231 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.298 -6.210 3.581 1.00 1.54 H new ATOM 827 N PRO A 71 -15.416 -10.542 1.453 1.00 1.06 N ATOM 828 CA PRO A 71 -15.595 -11.813 0.758 1.00 1.11 C ATOM 829 C PRO A 71 -15.744 -11.630 -0.752 1.00 1.05 C ATOM 830 O PRO A 71 -15.198 -12.401 -1.544 1.00 1.09 O ATOM 831 CB PRO A 71 -16.884 -12.351 1.372 1.00 1.28 C ATOM 832 CG PRO A 71 -17.675 -11.145 1.756 1.00 1.30 C ATOM 833 CD PRO A 71 -16.693 -10.025 1.986 1.00 1.18 C ATOM 0 HA PRO A 71 -14.740 -12.479 0.872 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.431 -12.968 0.659 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.674 -12.976 2.240 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.382 -10.882 0.969 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.258 -11.337 2.657 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.000 -9.115 1.470 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -16.611 -9.779 3.045 1.00 1.18 H new ATOM 841 N ASP A 72 -16.474 -10.592 -1.143 1.00 1.04 N ATOM 842 CA ASP A 72 -16.709 -10.294 -2.551 1.00 1.07 C ATOM 843 C ASP A 72 -15.511 -9.552 -3.133 1.00 0.94 C ATOM 844 O ASP A 72 -15.356 -9.441 -4.348 1.00 0.95 O ATOM 845 CB ASP A 72 -17.980 -9.453 -2.711 1.00 1.24 C ATOM 846 CG ASP A 72 -19.210 -10.290 -3.020 1.00 1.49 C ATOM 847 OD1 ASP A 72 -19.150 -11.528 -2.882 1.00 1.93 O ATOM 848 OD2 ASP A 72 -20.251 -9.710 -3.395 1.00 1.97 O ATOM 0 H ASP A 72 -16.917 -9.937 -0.498 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.842 -11.231 -3.092 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.153 -8.887 -1.795 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.831 -8.727 -3.510 1.00 1.24 H new ATOM 853 N TYR A 73 -14.664 -9.059 -2.238 1.00 0.87 N ATOM 854 CA TYR A 73 -13.441 -8.357 -2.610 1.00 0.79 C ATOM 855 C TYR A 73 -12.545 -9.253 -3.456 1.00 0.74 C ATOM 856 O TYR A 73 -11.971 -8.815 -4.451 1.00 0.73 O ATOM 857 CB TYR A 73 -12.709 -7.929 -1.337 1.00 0.78 C ATOM 858 CG TYR A 73 -11.556 -6.970 -1.540 1.00 0.73 C ATOM 859 CD1 TYR A 73 -11.783 -5.673 -1.976 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.243 -7.367 -1.327 1.00 0.80 C ATOM 861 CE1 TYR A 73 -10.738 -4.797 -2.188 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.190 -6.495 -1.539 1.00 0.90 C ATOM 863 CZ TYR A 73 -9.428 -5.206 -1.858 1.00 0.94 C ATOM 864 OH TYR A 73 -8.400 -4.334 -2.191 1.00 1.13 O ATOM 0 H TYR A 73 -14.806 -9.135 -1.231 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.695 -7.478 -3.202 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.429 -7.466 -0.663 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -12.333 -8.822 -0.837 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -12.796 -5.343 -2.153 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -10.040 -8.373 -0.990 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -10.919 -3.815 -2.599 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.173 -6.848 -1.449 1.00 0.90 H new ATOM 0 HH TYR A 73 -7.723 -4.340 -1.482 1.00 1.13 H new ATOM 874 N HIS A 74 -12.477 -10.520 -3.070 1.00 0.79 N ATOM 875 CA HIS A 74 -11.596 -11.487 -3.719 1.00 0.80 C ATOM 876 C HIS A 74 -12.175 -11.970 -5.050 1.00 0.85 C ATOM 877 O HIS A 74 -11.584 -12.818 -5.718 1.00 0.91 O ATOM 878 CB HIS A 74 -11.358 -12.685 -2.791 1.00 0.89 C ATOM 879 CG HIS A 74 -10.459 -12.385 -1.628 1.00 0.79 C ATOM 880 ND1 HIS A 74 -10.238 -11.098 -1.200 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.756 -13.235 -0.842 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.413 -11.194 -0.176 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.091 -12.469 0.078 1.00 0.82 N ATOM 0 H HIS A 74 -13.027 -10.907 -2.303 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.648 -10.989 -3.925 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -12.318 -13.036 -2.414 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.926 -13.501 -3.371 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -9.726 -14.311 -0.925 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -9.043 -10.350 0.387 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -8.470 -12.805 0.815 1.00 0.82 H new ATOM 891 N LYS A 75 -13.329 -11.434 -5.431 1.00 0.89 N ATOM 892 CA LYS A 75 -13.959 -11.800 -6.688 1.00 0.97 C ATOM 893 C LYS A 75 -13.492 -10.857 -7.779 1.00 0.92 C ATOM 894 O LYS A 75 -13.098 -11.280 -8.869 1.00 1.11 O ATOM 895 CB LYS A 75 -15.482 -11.725 -6.574 1.00 1.09 C ATOM 896 CG LYS A 75 -16.098 -12.822 -5.727 1.00 1.20 C ATOM 897 CD LYS A 75 -17.586 -12.587 -5.546 1.00 1.68 C ATOM 898 CE LYS A 75 -18.296 -13.837 -5.069 1.00 2.05 C ATOM 899 NZ LYS A 75 -19.705 -13.560 -4.679 1.00 2.86 N ATOM 0 H LYS A 75 -13.845 -10.744 -4.885 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.677 -12.824 -6.932 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.756 -10.758 -6.151 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.912 -11.769 -7.574 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -15.932 -13.790 -6.200 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.609 -12.855 -4.754 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.743 -11.783 -4.827 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -18.020 -12.260 -6.491 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -18.279 -14.588 -5.859 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -17.760 -14.257 -4.218 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -20.130 -14.421 -4.279 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -19.726 -12.801 -3.968 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -20.245 -13.264 -5.517 1.00 2.86 H new ATOM 913 N ILE A 76 -13.531 -9.572 -7.466 1.00 0.78 N ATOM 914 CA ILE A 76 -13.160 -8.542 -8.417 1.00 0.77 C ATOM 915 C ILE A 76 -11.667 -8.249 -8.335 1.00 0.69 C ATOM 916 O ILE A 76 -10.985 -8.133 -9.355 1.00 0.78 O ATOM 917 CB ILE A 76 -13.962 -7.241 -8.174 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.460 -7.492 -8.376 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.485 -6.127 -9.097 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.247 -7.584 -7.085 1.00 1.00 C ATOM 0 H ILE A 76 -13.818 -9.218 -6.554 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.397 -8.913 -9.414 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.794 -6.927 -7.144 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.874 -6.689 -8.986 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.591 -8.418 -8.936 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.064 -5.224 -8.907 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.430 -5.927 -8.911 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.619 -6.432 -10.135 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.298 -7.763 -7.312 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.861 -8.406 -6.481 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.149 -6.650 -6.532 1.00 1.00 H new ATOM 932 N ILE A 77 -11.161 -8.148 -7.116 1.00 0.58 N ATOM 933 CA ILE A 77 -9.759 -7.841 -6.902 1.00 0.53 C ATOM 934 C ILE A 77 -8.928 -9.120 -6.898 1.00 0.64 C ATOM 935 O ILE A 77 -9.229 -10.074 -6.180 1.00 0.75 O ATOM 936 CB ILE A 77 -9.548 -7.054 -5.587 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.337 -5.739 -5.618 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.074 -6.774 -5.359 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.071 -4.895 -6.849 1.00 0.50 C ATOM 0 H ILE A 77 -11.702 -8.275 -6.261 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.426 -7.209 -7.725 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.915 -7.665 -4.762 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.402 -5.964 -5.566 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.091 -5.157 -4.730 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.949 -6.220 -4.429 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.530 -7.717 -5.296 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.683 -6.184 -6.188 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.664 -3.982 -6.799 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.013 -4.638 -6.892 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.345 -5.457 -7.742 1.00 0.50 H new ATOM 951 N LYS A 78 -7.896 -9.138 -7.729 1.00 0.74 N ATOM 952 CA LYS A 78 -7.047 -10.313 -7.868 1.00 0.90 C ATOM 953 C LYS A 78 -5.886 -10.266 -6.882 1.00 0.73 C ATOM 954 O LYS A 78 -5.314 -11.297 -6.528 1.00 0.72 O ATOM 955 CB LYS A 78 -6.520 -10.416 -9.300 1.00 1.16 C ATOM 956 CG LYS A 78 -7.601 -10.742 -10.320 1.00 1.45 C ATOM 957 CD LYS A 78 -7.515 -9.835 -11.538 1.00 1.67 C ATOM 958 CE LYS A 78 -8.575 -8.745 -11.496 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.702 -8.039 -12.798 1.00 1.99 N ATOM 0 H LYS A 78 -7.626 -8.351 -8.318 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.647 -11.196 -7.646 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.045 -9.474 -9.573 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.749 -11.185 -9.341 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -7.505 -11.782 -10.633 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.582 -10.638 -9.857 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.525 -9.380 -11.585 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.637 -10.428 -12.444 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.536 -9.184 -11.227 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.324 -8.025 -10.717 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.435 -7.305 -12.725 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.793 -7.597 -13.044 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -8.967 -8.720 -13.538 1.00 1.99 H new ATOM 973 N ASN A 79 -5.543 -9.066 -6.442 1.00 0.67 N ATOM 974 CA ASN A 79 -4.465 -8.873 -5.482 1.00 0.56 C ATOM 975 C ASN A 79 -4.987 -8.135 -4.254 1.00 0.54 C ATOM 976 O ASN A 79 -4.983 -6.904 -4.213 1.00 0.52 O ATOM 977 CB ASN A 79 -3.298 -8.091 -6.106 1.00 0.60 C ATOM 978 CG ASN A 79 -3.673 -7.343 -7.373 1.00 1.09 C ATOM 979 OD1 ASN A 79 -4.698 -6.659 -7.439 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.840 -7.466 -8.393 1.00 1.28 N ATOM 0 H ASN A 79 -6.000 -8.203 -6.737 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.096 -9.855 -5.185 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.916 -7.379 -5.374 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.487 -8.784 -6.330 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -3.035 -6.986 -9.272 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.002 -8.040 -8.301 1.00 1.28 H new ATOM 987 N PRO A 80 -5.458 -8.883 -3.243 1.00 0.58 N ATOM 988 CA PRO A 80 -6.038 -8.297 -2.029 1.00 0.60 C ATOM 989 C PRO A 80 -5.003 -7.550 -1.188 1.00 0.55 C ATOM 990 O PRO A 80 -4.319 -8.138 -0.351 1.00 0.64 O ATOM 991 CB PRO A 80 -6.578 -9.508 -1.264 1.00 0.70 C ATOM 992 CG PRO A 80 -5.811 -10.675 -1.777 1.00 0.89 C ATOM 993 CD PRO A 80 -5.467 -10.358 -3.204 1.00 0.67 C ATOM 0 HA PRO A 80 -6.800 -7.554 -2.265 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.438 -9.388 -0.190 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.647 -9.635 -1.434 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -4.909 -10.838 -1.187 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.403 -11.588 -1.713 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.498 -10.772 -3.484 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.202 -10.772 -3.894 1.00 0.67 H new ATOM 1001 N MET A 81 -4.896 -6.251 -1.415 1.00 0.46 N ATOM 1002 CA MET A 81 -3.914 -5.433 -0.722 1.00 0.43 C ATOM 1003 C MET A 81 -4.572 -4.252 -0.045 1.00 0.43 C ATOM 1004 O MET A 81 -5.748 -3.959 -0.266 1.00 0.55 O ATOM 1005 CB MET A 81 -2.842 -4.942 -1.699 1.00 0.44 C ATOM 1006 CG MET A 81 -1.906 -6.043 -2.169 1.00 0.74 C ATOM 1007 SD MET A 81 -0.700 -6.516 -0.915 1.00 0.82 S ATOM 1008 CE MET A 81 -1.018 -8.276 -0.814 1.00 0.70 C ATOM 0 H MET A 81 -5.480 -5.739 -2.076 1.00 0.46 H new ATOM 0 HA MET A 81 -3.443 -6.051 0.043 1.00 0.43 H new ATOM 0 HB2 MET A 81 -3.328 -4.494 -2.566 1.00 0.44 H new ATOM 0 HB3 MET A 81 -2.257 -4.157 -1.220 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.493 -6.917 -2.450 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.381 -5.710 -3.064 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.125 -8.787 -0.455 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.842 -8.458 -0.124 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.281 -8.655 -1.801 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.782 -3.592 0.776 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.223 -2.464 1.574 1.00 0.36 C ATOM 1020 C ASP A 82 -3.015 -1.561 1.791 1.00 0.35 C ATOM 1021 O ASP A 82 -2.177 -1.438 0.903 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.797 -2.970 2.910 1.00 0.38 C ATOM 1023 CG ASP A 82 -5.486 -1.889 3.716 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -6.632 -1.538 3.359 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -4.901 -1.411 4.703 1.00 1.32 O ATOM 0 H ASP A 82 -2.799 -3.827 0.911 1.00 0.37 H new ATOM 0 HA ASP A 82 -5.012 -1.904 1.073 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.507 -3.773 2.711 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -3.990 -3.398 3.505 1.00 0.38 H new ATOM 1030 N MET A 83 -2.889 -0.978 2.964 1.00 0.27 N ATOM 1031 CA MET A 83 -1.732 -0.168 3.290 1.00 0.26 C ATOM 1032 C MET A 83 -0.983 -0.842 4.417 1.00 0.25 C ATOM 1033 O MET A 83 0.190 -0.562 4.670 1.00 0.26 O ATOM 1034 CB MET A 83 -2.140 1.249 3.691 1.00 0.31 C ATOM 1035 CG MET A 83 -1.307 2.334 3.022 1.00 0.43 C ATOM 1036 SD MET A 83 -0.646 3.538 4.193 1.00 0.80 S ATOM 1037 CE MET A 83 -2.157 4.264 4.825 1.00 0.38 C ATOM 0 H MET A 83 -3.578 -1.050 3.713 1.00 0.27 H new ATOM 0 HA MET A 83 -1.093 -0.081 2.411 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.190 1.401 3.439 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.053 1.351 4.773 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.482 1.870 2.482 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.920 2.852 2.284 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.035 5.344 4.908 1.00 0.38 H new ATOM 0 HE2 MET A 83 -2.979 4.043 4.145 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.377 3.847 5.808 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.664 -1.788 5.057 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.055 -2.532 6.131 1.00 0.29 C ATOM 1049 C GLY A 84 -0.179 -3.612 5.564 1.00 0.26 C ATOM 1050 O GLY A 84 0.772 -4.068 6.198 1.00 0.32 O ATOM 0 H GLY A 84 -2.627 -2.049 4.846 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.466 -1.865 6.760 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.825 -2.971 6.765 1.00 0.29 H new ATOM 1054 N THR A 85 -0.504 -4.007 4.344 1.00 0.24 N ATOM 1055 CA THR A 85 0.283 -4.978 3.629 1.00 0.25 C ATOM 1056 C THR A 85 1.521 -4.325 3.037 1.00 0.26 C ATOM 1057 O THR A 85 2.589 -4.935 2.966 1.00 0.32 O ATOM 1058 CB THR A 85 -0.544 -5.633 2.515 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.852 -5.042 2.478 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.663 -7.130 2.740 1.00 0.84 C ATOM 0 H THR A 85 -1.316 -3.662 3.831 1.00 0.24 H new ATOM 0 HA THR A 85 0.592 -5.750 4.334 1.00 0.25 H new ATOM 0 HB THR A 85 -0.039 -5.468 1.563 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.470 -5.643 2.012 1.00 0.95 H new ATOM 0 HG21 THR A 85 -1.253 -7.573 1.938 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.331 -7.577 2.748 1.00 0.84 H new ATOM 0 HG23 THR A 85 -1.152 -7.316 3.696 1.00 0.84 H new ATOM 1068 N ILE A 86 1.360 -3.076 2.622 1.00 0.27 N ATOM 1069 CA ILE A 86 2.469 -2.274 2.123 1.00 0.31 C ATOM 1070 C ILE A 86 3.550 -2.161 3.188 1.00 0.29 C ATOM 1071 O ILE A 86 4.706 -2.527 2.966 1.00 0.32 O ATOM 1072 CB ILE A 86 2.003 -0.857 1.741 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.835 -0.911 0.756 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.151 -0.052 1.161 1.00 0.36 C ATOM 1075 CD1 ILE A 86 1.098 -1.748 -0.476 1.00 0.97 C ATOM 0 H ILE A 86 0.462 -2.592 2.621 1.00 0.27 H new ATOM 0 HA ILE A 86 2.864 -2.770 1.236 1.00 0.31 H new ATOM 0 HB ILE A 86 1.659 -0.361 2.649 1.00 0.36 H new ATOM 0 HG12 ILE A 86 -0.041 -1.307 1.270 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.590 0.105 0.445 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.799 0.946 0.898 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.949 0.027 1.899 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.530 -0.550 0.269 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.219 -1.732 -1.121 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.952 -1.341 -1.017 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.312 -2.775 -0.179 1.00 0.97 H new ATOM 1087 N LYS A 87 3.150 -1.657 4.350 1.00 0.29 N ATOM 1088 CA LYS A 87 4.050 -1.527 5.486 1.00 0.34 C ATOM 1089 C LYS A 87 4.671 -2.877 5.847 1.00 0.34 C ATOM 1090 O LYS A 87 5.832 -2.937 6.252 1.00 0.38 O ATOM 1091 CB LYS A 87 3.304 -0.932 6.692 1.00 0.41 C ATOM 1092 CG LYS A 87 3.173 -1.877 7.880 1.00 0.49 C ATOM 1093 CD LYS A 87 2.596 -1.179 9.100 1.00 0.69 C ATOM 1094 CE LYS A 87 3.652 -0.375 9.843 1.00 1.08 C ATOM 1095 NZ LYS A 87 4.791 -1.219 10.301 1.00 1.15 N ATOM 0 H LYS A 87 2.201 -1.330 4.529 1.00 0.29 H new ATOM 0 HA LYS A 87 4.858 -0.849 5.209 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.823 -0.030 7.016 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.307 -0.628 6.373 1.00 0.41 H new ATOM 0 HG2 LYS A 87 2.534 -2.717 7.607 1.00 0.49 H new ATOM 0 HG3 LYS A 87 4.152 -2.288 8.126 1.00 0.49 H new ATOM 0 HD2 LYS A 87 1.786 -0.518 8.791 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.164 -1.920 9.772 1.00 0.69 H new ATOM 0 HE2 LYS A 87 4.027 0.415 9.193 1.00 1.08 H new ATOM 0 HE3 LYS A 87 3.195 0.112 10.704 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 4.941 -1.076 11.320 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.576 -2.220 10.120 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 5.652 -0.951 9.783 1.00 1.15 H new ATOM 1109 N LYS A 88 3.904 -3.953 5.677 1.00 0.35 N ATOM 1110 CA LYS A 88 4.367 -5.281 6.051 1.00 0.39 C ATOM 1111 C LYS A 88 5.580 -5.692 5.226 1.00 0.41 C ATOM 1112 O LYS A 88 6.614 -6.055 5.775 1.00 0.46 O ATOM 1113 CB LYS A 88 3.245 -6.307 5.892 1.00 0.42 C ATOM 1114 CG LYS A 88 3.258 -7.383 6.968 1.00 0.73 C ATOM 1115 CD LYS A 88 2.874 -6.818 8.329 1.00 1.26 C ATOM 1116 CE LYS A 88 3.860 -7.242 9.408 1.00 1.68 C ATOM 1117 NZ LYS A 88 3.905 -6.272 10.533 1.00 2.46 N ATOM 0 H LYS A 88 2.963 -3.928 5.284 1.00 0.35 H new ATOM 0 HA LYS A 88 4.664 -5.248 7.099 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.285 -5.792 5.914 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.330 -6.780 4.914 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.566 -8.180 6.695 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.251 -7.829 7.025 1.00 0.73 H new ATOM 0 HD2 LYS A 88 2.838 -5.730 8.275 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.873 -7.157 8.596 1.00 1.26 H new ATOM 0 HE2 LYS A 88 3.581 -8.225 9.788 1.00 1.68 H new ATOM 0 HE3 LYS A 88 4.855 -7.339 8.973 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 4.537 -6.632 11.276 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 4.261 -5.357 10.189 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 2.949 -6.147 10.922 1.00 2.46 H new ATOM 1131 N ARG A 89 5.455 -5.610 3.907 1.00 0.40 N ATOM 1132 CA ARG A 89 6.533 -6.009 3.007 1.00 0.44 C ATOM 1133 C ARG A 89 7.757 -5.112 3.182 1.00 0.43 C ATOM 1134 O ARG A 89 8.895 -5.567 3.038 1.00 0.48 O ATOM 1135 CB ARG A 89 6.059 -5.964 1.555 1.00 0.47 C ATOM 1136 CG ARG A 89 4.793 -6.764 1.299 1.00 0.68 C ATOM 1137 CD ARG A 89 5.062 -7.962 0.405 1.00 0.64 C ATOM 1138 NE ARG A 89 5.312 -7.568 -0.982 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.351 -7.353 -1.882 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.070 -7.459 -1.543 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.673 -7.024 -3.124 1.00 1.03 N ATOM 0 H ARG A 89 4.617 -5.270 3.435 1.00 0.40 H new ATOM 0 HA ARG A 89 6.817 -7.031 3.259 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.886 -4.926 1.271 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.853 -6.342 0.911 1.00 0.47 H new ATOM 0 HG2 ARG A 89 4.378 -7.103 2.248 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.044 -6.123 0.834 1.00 0.68 H new ATOM 0 HD2 ARG A 89 5.922 -8.512 0.786 1.00 0.64 H new ATOM 0 HD3 ARG A 89 4.209 -8.640 0.441 1.00 0.64 H new ATOM 0 HE ARG A 89 6.281 -7.451 -1.279 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.814 -7.707 -0.587 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.343 -7.293 -2.239 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.654 -6.936 -3.390 1.00 1.03 H new ATOM 0 HH22 ARG A 89 3.940 -6.859 -3.814 1.00 1.03 H new ATOM 1155 N LEU A 90 7.517 -3.846 3.500 1.00 0.40 N ATOM 1156 CA LEU A 90 8.597 -2.884 3.687 1.00 0.41 C ATOM 1157 C LEU A 90 9.390 -3.186 4.954 1.00 0.44 C ATOM 1158 O LEU A 90 10.617 -3.310 4.917 1.00 0.49 O ATOM 1159 CB LEU A 90 8.041 -1.460 3.754 1.00 0.39 C ATOM 1160 CG LEU A 90 7.936 -0.740 2.411 1.00 0.38 C ATOM 1161 CD1 LEU A 90 7.023 0.469 2.527 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.314 -0.324 1.916 1.00 0.45 C ATOM 0 H LEU A 90 6.582 -3.461 3.634 1.00 0.40 H new ATOM 0 HA LEU A 90 9.267 -2.968 2.831 1.00 0.41 H new ATOM 0 HB2 LEU A 90 7.051 -1.495 4.208 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.675 -0.870 4.416 1.00 0.39 H new ATOM 0 HG LEU A 90 7.506 -1.429 1.684 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.959 0.971 1.561 1.00 0.38 H new ATOM 0 HD12 LEU A 90 6.028 0.146 2.834 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.426 1.159 3.268 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.218 0.187 0.958 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.774 0.348 2.641 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.939 -1.209 1.794 1.00 0.45 H new ATOM 1174 N GLU A 91 8.687 -3.320 6.072 1.00 0.45 N ATOM 1175 CA GLU A 91 9.338 -3.557 7.355 1.00 0.50 C ATOM 1176 C GLU A 91 9.902 -4.976 7.421 1.00 0.54 C ATOM 1177 O GLU A 91 10.869 -5.239 8.134 1.00 0.64 O ATOM 1178 CB GLU A 91 8.366 -3.304 8.515 1.00 0.53 C ATOM 1179 CG GLU A 91 7.261 -4.341 8.640 1.00 0.76 C ATOM 1180 CD GLU A 91 6.387 -4.118 9.857 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.908 -4.169 10.993 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.174 -3.878 9.686 1.00 1.39 O ATOM 0 H GLU A 91 7.669 -3.269 6.117 1.00 0.45 H new ATOM 0 HA GLU A 91 10.167 -2.856 7.449 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.930 -3.276 9.447 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.913 -2.321 8.387 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.642 -4.316 7.743 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.705 -5.335 8.694 1.00 0.76 H new ATOM 1189 N ASN A 92 9.303 -5.886 6.658 1.00 0.51 N ATOM 1190 CA ASN A 92 9.787 -7.264 6.579 1.00 0.57 C ATOM 1191 C ASN A 92 11.031 -7.342 5.712 1.00 0.60 C ATOM 1192 O ASN A 92 11.762 -8.334 5.748 1.00 0.68 O ATOM 1193 CB ASN A 92 8.712 -8.187 6.000 1.00 0.60 C ATOM 1194 CG ASN A 92 8.425 -9.384 6.884 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.802 -9.418 8.056 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.763 -10.382 6.323 1.00 1.30 N ATOM 0 H ASN A 92 8.481 -5.695 6.085 1.00 0.51 H new ATOM 0 HA ASN A 92 10.029 -7.589 7.591 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.793 -7.620 5.855 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.030 -8.535 5.017 1.00 0.60 H new ATOM 0 HD21 ASN A 92 7.547 -11.219 6.864 1.00 1.30 H new ATOM 0 HD22 ASN A 92 7.468 -10.315 5.349 1.00 1.30 H new ATOM 1203 N ASN A 93 11.263 -6.278 4.942 1.00 0.58 N ATOM 1204 CA ASN A 93 12.374 -6.223 3.998 1.00 0.62 C ATOM 1205 C ASN A 93 12.246 -7.356 2.987 1.00 0.66 C ATOM 1206 O ASN A 93 13.153 -8.172 2.817 1.00 0.77 O ATOM 1207 CB ASN A 93 13.721 -6.284 4.733 1.00 0.70 C ATOM 1208 CG ASN A 93 14.895 -5.899 3.859 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.987 -6.452 3.988 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.690 -4.932 2.981 1.00 1.22 N ATOM 0 H ASN A 93 10.688 -5.436 4.957 1.00 0.58 H new ATOM 0 HA ASN A 93 12.337 -5.274 3.464 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.686 -5.620 5.597 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.875 -7.294 5.113 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.452 -4.619 2.380 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.770 -4.499 2.905 1.00 1.22 H new ATOM 1217 N TYR A 94 11.089 -7.405 2.336 1.00 0.61 N ATOM 1218 CA TYR A 94 10.783 -8.473 1.402 1.00 0.67 C ATOM 1219 C TYR A 94 11.543 -8.302 0.088 1.00 0.70 C ATOM 1220 O TYR A 94 12.120 -9.259 -0.425 1.00 0.79 O ATOM 1221 CB TYR A 94 9.279 -8.532 1.140 1.00 0.71 C ATOM 1222 CG TYR A 94 8.913 -9.455 0.007 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.296 -10.782 0.024 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.164 -8.998 -1.066 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.949 -11.638 -1.001 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.807 -9.841 -2.092 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.275 -11.146 -2.095 1.00 0.85 C ATOM 1228 OH TYR A 94 7.843 -12.018 -3.073 1.00 0.96 O ATOM 0 H TYR A 94 10.347 -6.713 2.441 1.00 0.61 H new ATOM 0 HA TYR A 94 11.103 -9.412 1.853 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.771 -8.860 2.047 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.916 -7.529 0.916 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.877 -11.156 0.854 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.856 -7.963 -1.097 1.00 0.74 H new ATOM 0 HE1 TYR A 94 9.204 -12.686 -0.945 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.168 -9.490 -2.888 1.00 0.81 H new ATOM 0 HH TYR A 94 8.413 -12.815 -3.075 1.00 0.96 H new ATOM 1238 N TYR A 95 11.536 -7.094 -0.460 1.00 0.77 N ATOM 1239 CA TYR A 95 12.230 -6.847 -1.717 1.00 0.88 C ATOM 1240 C TYR A 95 13.495 -6.038 -1.496 1.00 0.75 C ATOM 1241 O TYR A 95 13.850 -5.705 -0.365 1.00 1.04 O ATOM 1242 CB TYR A 95 11.349 -6.135 -2.752 1.00 1.17 C ATOM 1243 CG TYR A 95 10.046 -5.570 -2.238 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.046 -4.506 -1.353 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.826 -6.121 -2.603 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.870 -3.997 -0.851 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.641 -5.621 -2.100 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.635 -4.508 -1.365 1.00 1.04 C ATOM 1249 OH TYR A 95 6.499 -4.049 -0.710 1.00 1.28 O ATOM 0 H TYR A 95 11.065 -6.281 -0.062 1.00 0.77 H new ATOM 0 HA TYR A 95 12.488 -7.829 -2.113 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.926 -5.322 -3.192 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.126 -6.838 -3.554 1.00 1.17 H new ATOM 0 HD1 TYR A 95 10.986 -4.067 -1.051 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.803 -6.953 -3.291 1.00 0.92 H new ATOM 0 HE1 TYR A 95 8.878 -3.232 -0.089 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.713 -6.135 -2.303 1.00 0.96 H new ATOM 0 HH TYR A 95 5.752 -4.005 -1.343 1.00 1.28 H new ATOM 1259 N TRP A 96 14.154 -5.713 -2.593 1.00 0.72 N ATOM 1260 CA TRP A 96 15.419 -5.008 -2.554 1.00 0.65 C ATOM 1261 C TRP A 96 15.217 -3.524 -2.282 1.00 0.61 C ATOM 1262 O TRP A 96 15.932 -2.925 -1.481 1.00 0.64 O ATOM 1263 CB TRP A 96 16.146 -5.185 -3.888 1.00 0.68 C ATOM 1264 CG TRP A 96 17.637 -5.171 -3.770 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.392 -4.290 -3.055 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.553 -6.070 -4.399 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.723 -4.604 -3.181 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.848 -5.688 -4.006 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.404 -7.163 -5.252 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.987 -6.364 -4.438 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.535 -7.831 -5.682 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.809 -7.431 -5.273 1.00 1.05 C ATOM 0 H TRP A 96 13.827 -5.931 -3.534 1.00 0.72 H new ATOM 0 HA TRP A 96 16.016 -5.427 -1.744 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.835 -6.128 -4.338 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.837 -4.391 -4.567 1.00 0.68 H new ATOM 0 HD1 TRP A 96 18.001 -3.467 -2.475 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.494 -4.109 -2.732 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.423 -7.482 -5.571 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.974 -6.056 -4.125 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.432 -8.677 -6.346 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.672 -7.977 -5.624 1.00 1.05 H new ATOM 1283 N SER A 97 14.234 -2.937 -2.942 1.00 0.60 N ATOM 1284 CA SER A 97 14.105 -1.497 -2.942 1.00 0.56 C ATOM 1285 C SER A 97 12.644 -1.058 -3.004 1.00 0.54 C ATOM 1286 O SER A 97 11.742 -1.870 -3.233 1.00 0.55 O ATOM 1287 CB SER A 97 14.910 -0.955 -4.123 1.00 0.58 C ATOM 1288 OG SER A 97 14.145 -0.102 -4.960 1.00 1.00 O ATOM 0 H SER A 97 13.522 -3.432 -3.479 1.00 0.60 H new ATOM 0 HA SER A 97 14.496 -1.091 -2.009 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.775 -0.409 -3.748 1.00 0.58 H new ATOM 0 HB3 SER A 97 15.291 -1.790 -4.712 1.00 0.58 H new ATOM 0 HG SER A 97 14.746 0.476 -5.475 1.00 1.00 H new ATOM 1294 N ALA A 98 12.420 0.238 -2.803 1.00 0.54 N ATOM 1295 CA ALA A 98 11.081 0.806 -2.792 1.00 0.56 C ATOM 1296 C ALA A 98 10.504 0.905 -4.199 1.00 0.52 C ATOM 1297 O ALA A 98 9.314 1.169 -4.370 1.00 0.53 O ATOM 1298 CB ALA A 98 11.095 2.175 -2.135 1.00 0.66 C ATOM 0 H ALA A 98 13.162 0.920 -2.644 1.00 0.54 H new ATOM 0 HA ALA A 98 10.442 0.138 -2.214 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.086 2.588 -2.134 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.451 2.082 -1.109 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.758 2.838 -2.690 1.00 0.66 H new ATOM 1304 N SER A 99 11.343 0.683 -5.204 1.00 0.52 N ATOM 1305 CA SER A 99 10.890 0.690 -6.586 1.00 0.54 C ATOM 1306 C SER A 99 9.908 -0.460 -6.822 1.00 0.48 C ATOM 1307 O SER A 99 9.063 -0.406 -7.717 1.00 0.50 O ATOM 1308 CB SER A 99 12.087 0.584 -7.531 1.00 0.62 C ATOM 1309 OG SER A 99 12.987 1.667 -7.337 1.00 0.85 O ATOM 0 H SER A 99 12.339 0.496 -5.086 1.00 0.52 H new ATOM 0 HA SER A 99 10.375 1.629 -6.788 1.00 0.54 H new ATOM 0 HB2 SER A 99 12.606 -0.359 -7.362 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.740 0.576 -8.564 1.00 0.62 H new ATOM 0 HG SER A 99 12.777 2.119 -6.493 1.00 0.85 H new ATOM 1315 N GLU A 100 10.015 -1.490 -5.992 1.00 0.46 N ATOM 1316 CA GLU A 100 9.097 -2.614 -6.038 1.00 0.48 C ATOM 1317 C GLU A 100 7.804 -2.268 -5.307 1.00 0.44 C ATOM 1318 O GLU A 100 6.711 -2.606 -5.756 1.00 0.52 O ATOM 1319 CB GLU A 100 9.750 -3.847 -5.412 1.00 0.56 C ATOM 1320 CG GLU A 100 9.339 -5.150 -6.073 1.00 1.03 C ATOM 1321 CD GLU A 100 10.106 -5.412 -7.351 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.314 -5.104 -7.395 1.00 2.44 O ATOM 1323 OE2 GLU A 100 9.510 -5.933 -8.312 1.00 2.37 O ATOM 0 H GLU A 100 10.736 -1.567 -5.274 1.00 0.46 H new ATOM 0 HA GLU A 100 8.858 -2.834 -7.078 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.834 -3.744 -5.471 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.491 -3.888 -4.354 1.00 0.56 H new ATOM 0 HG2 GLU A 100 9.502 -5.974 -5.379 1.00 1.03 H new ATOM 0 HG3 GLU A 100 8.271 -5.123 -6.291 1.00 1.03 H new ATOM 1330 N CYS A 101 7.945 -1.551 -4.201 1.00 0.41 N ATOM 1331 CA CYS A 101 6.808 -1.175 -3.367 1.00 0.44 C ATOM 1332 C CYS A 101 5.920 -0.158 -4.078 1.00 0.38 C ATOM 1333 O CYS A 101 4.735 -0.027 -3.771 1.00 0.38 O ATOM 1334 CB CYS A 101 7.295 -0.598 -2.039 1.00 0.57 C ATOM 1335 SG CYS A 101 6.269 -1.037 -0.621 1.00 0.95 S ATOM 0 H CYS A 101 8.844 -1.214 -3.857 1.00 0.41 H new ATOM 0 HA CYS A 101 6.219 -2.072 -3.175 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.313 -0.943 -1.857 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.336 0.488 -2.121 1.00 0.57 H new ATOM 0 HG CYS A 101 6.274 -2.328 -0.465 1.00 0.95 H new ATOM 1341 N MET A 102 6.502 0.565 -5.031 1.00 0.39 N ATOM 1342 CA MET A 102 5.751 1.527 -5.828 1.00 0.44 C ATOM 1343 C MET A 102 4.648 0.820 -6.609 1.00 0.36 C ATOM 1344 O MET A 102 3.587 1.392 -6.871 1.00 0.39 O ATOM 1345 CB MET A 102 6.685 2.268 -6.787 1.00 0.58 C ATOM 1346 CG MET A 102 6.103 3.569 -7.315 1.00 0.75 C ATOM 1347 SD MET A 102 7.268 4.946 -7.232 1.00 1.02 S ATOM 1348 CE MET A 102 7.268 5.279 -5.471 1.00 1.13 C ATOM 0 H MET A 102 7.492 0.502 -5.269 1.00 0.39 H new ATOM 0 HA MET A 102 5.294 2.253 -5.156 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.624 2.480 -6.276 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.920 1.616 -7.629 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.789 3.427 -8.349 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.210 3.820 -6.743 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.887 6.152 -5.266 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.248 5.470 -5.137 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.669 4.417 -4.938 1.00 1.13 H new ATOM 1358 N GLN A 103 4.897 -0.440 -6.953 1.00 0.34 N ATOM 1359 CA GLN A 103 3.922 -1.241 -7.679 1.00 0.36 C ATOM 1360 C GLN A 103 2.789 -1.652 -6.746 1.00 0.30 C ATOM 1361 O GLN A 103 1.628 -1.727 -7.153 1.00 0.31 O ATOM 1362 CB GLN A 103 4.582 -2.484 -8.284 1.00 0.43 C ATOM 1363 CG GLN A 103 5.733 -2.165 -9.222 1.00 1.36 C ATOM 1364 CD GLN A 103 6.709 -3.318 -9.364 1.00 2.17 C ATOM 1365 OE1 GLN A 103 6.311 -4.458 -9.607 1.00 2.70 O ATOM 1366 NE2 GLN A 103 7.995 -3.029 -9.217 1.00 2.96 N ATOM 0 H GLN A 103 5.767 -0.927 -6.740 1.00 0.34 H new ATOM 0 HA GLN A 103 3.516 -0.638 -8.492 1.00 0.36 H new ATOM 0 HB2 GLN A 103 4.947 -3.120 -7.478 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.830 -3.057 -8.827 1.00 0.43 H new ATOM 0 HG2 GLN A 103 5.336 -1.908 -10.204 1.00 1.36 H new ATOM 0 HG3 GLN A 103 6.264 -1.288 -8.853 1.00 1.36 H new ATOM 0 HE21 GLN A 103 8.283 -2.071 -9.016 1.00 2.96 H new ATOM 0 HE22 GLN A 103 8.696 -3.764 -9.305 1.00 2.96 H new ATOM 1375 N ASP A 104 3.136 -1.894 -5.486 1.00 0.30 N ATOM 1376 CA ASP A 104 2.163 -2.306 -4.483 1.00 0.32 C ATOM 1377 C ASP A 104 1.259 -1.140 -4.114 1.00 0.29 C ATOM 1378 O ASP A 104 0.037 -1.281 -4.066 1.00 0.31 O ATOM 1379 CB ASP A 104 2.870 -2.822 -3.230 1.00 0.48 C ATOM 1380 CG ASP A 104 3.654 -4.093 -3.476 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.103 -5.027 -4.102 1.00 1.87 O ATOM 1382 OD2 ASP A 104 4.823 -4.164 -3.037 1.00 1.09 O ATOM 0 H ASP A 104 4.090 -1.811 -5.135 1.00 0.30 H new ATOM 0 HA ASP A 104 1.558 -3.109 -4.905 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.545 -2.052 -2.857 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.130 -3.003 -2.450 1.00 0.48 H new ATOM 1387 N PHE A 105 1.875 0.015 -3.863 1.00 0.30 N ATOM 1388 CA PHE A 105 1.144 1.240 -3.546 1.00 0.33 C ATOM 1389 C PHE A 105 0.131 1.559 -4.639 1.00 0.32 C ATOM 1390 O PHE A 105 -1.028 1.863 -4.361 1.00 0.38 O ATOM 1391 CB PHE A 105 2.114 2.410 -3.395 1.00 0.38 C ATOM 1392 CG PHE A 105 2.155 3.005 -2.014 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.105 3.784 -1.545 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.249 2.798 -1.189 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.150 4.344 -0.283 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.297 3.354 0.075 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.245 4.127 0.528 1.00 0.33 C ATOM 0 H PHE A 105 2.889 0.127 -3.874 1.00 0.30 H new ATOM 0 HA PHE A 105 0.614 1.086 -2.606 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.116 2.073 -3.663 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.839 3.189 -4.106 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.244 3.954 -2.174 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.074 2.195 -1.538 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.329 4.951 0.069 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.155 3.185 0.708 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.280 4.561 1.516 1.00 0.33 H new ATOM 1407 N ASN A 106 0.583 1.478 -5.887 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.285 1.721 -7.033 1.00 0.34 C ATOM 1409 C ASN A 106 -1.459 0.748 -7.033 1.00 0.32 C ATOM 1410 O ASN A 106 -2.607 1.142 -7.243 1.00 0.38 O ATOM 1411 CB ASN A 106 0.505 1.582 -8.337 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.378 1.713 -9.563 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.807 2.807 -9.920 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.658 0.595 -10.216 1.00 0.97 N ATOM 0 H ASN A 106 1.546 1.246 -6.130 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.672 2.737 -6.958 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.284 2.344 -8.370 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.005 0.614 -8.354 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -1.249 0.624 -11.047 1.00 0.97 H new ATOM 0 HD22 ASN A 106 -0.283 -0.295 -9.888 1.00 0.97 H new ATOM 1421 N THR A 107 -1.161 -0.523 -6.781 1.00 0.29 N ATOM 1422 CA THR A 107 -2.180 -1.561 -6.733 1.00 0.30 C ATOM 1423 C THR A 107 -3.188 -1.292 -5.615 1.00 0.26 C ATOM 1424 O THR A 107 -4.396 -1.358 -5.829 1.00 0.27 O ATOM 1425 CB THR A 107 -1.536 -2.948 -6.534 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.591 -3.203 -7.587 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.590 -4.044 -6.520 1.00 0.39 C ATOM 0 H THR A 107 -0.214 -0.859 -6.606 1.00 0.29 H new ATOM 0 HA THR A 107 -2.708 -1.549 -7.686 1.00 0.30 H new ATOM 0 HB THR A 107 -1.024 -2.949 -5.572 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.168 -2.590 -7.501 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.107 -5.011 -6.378 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.290 -3.865 -5.704 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.129 -4.043 -7.468 1.00 0.39 H new ATOM 1435 N MET A 108 -2.678 -0.965 -4.431 1.00 0.26 N ATOM 1436 CA MET A 108 -3.518 -0.651 -3.280 1.00 0.26 C ATOM 1437 C MET A 108 -4.514 0.462 -3.612 1.00 0.24 C ATOM 1438 O MET A 108 -5.684 0.395 -3.234 1.00 0.27 O ATOM 1439 CB MET A 108 -2.631 -0.253 -2.090 1.00 0.32 C ATOM 1440 CG MET A 108 -3.256 0.773 -1.154 1.00 0.62 C ATOM 1441 SD MET A 108 -2.133 2.124 -0.751 1.00 0.88 S ATOM 1442 CE MET A 108 -3.280 3.312 -0.057 1.00 0.83 C ATOM 0 H MET A 108 -1.677 -0.910 -4.243 1.00 0.26 H new ATOM 0 HA MET A 108 -4.095 -1.537 -3.014 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.389 -1.149 -1.518 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.691 0.146 -2.471 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.156 1.180 -1.616 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.566 0.278 -0.234 1.00 0.62 H new ATOM 0 HE1 MET A 108 -2.741 4.216 0.226 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.040 3.560 -0.798 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.759 2.884 0.824 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.050 1.470 -4.339 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.886 2.612 -4.675 1.00 0.23 C ATOM 1454 C PHE A 109 -5.926 2.244 -5.730 1.00 0.23 C ATOM 1455 O PHE A 109 -7.105 2.581 -5.598 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.018 3.767 -5.176 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.616 4.722 -4.091 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.577 5.380 -3.344 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.278 4.957 -3.814 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.214 6.257 -2.341 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.908 5.832 -2.813 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.877 6.484 -2.074 1.00 0.22 C ATOM 0 H PHE A 109 -3.100 1.519 -4.707 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.414 2.922 -3.773 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.121 3.362 -5.644 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.561 4.313 -5.947 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.623 5.206 -3.548 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.517 4.450 -4.388 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.974 6.765 -1.766 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.862 6.007 -2.607 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.590 7.169 -1.290 1.00 0.22 H new ATOM 1472 N THR A 110 -5.490 1.539 -6.766 1.00 0.22 N ATOM 1473 CA THR A 110 -6.373 1.175 -7.865 1.00 0.26 C ATOM 1474 C THR A 110 -7.434 0.184 -7.409 1.00 0.25 C ATOM 1475 O THR A 110 -8.565 0.209 -7.889 1.00 0.27 O ATOM 1476 CB THR A 110 -5.582 0.576 -9.040 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.464 -0.175 -8.553 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.090 1.675 -9.961 1.00 0.66 C ATOM 0 H THR A 110 -4.530 1.208 -6.868 1.00 0.22 H new ATOM 0 HA THR A 110 -6.863 2.089 -8.201 1.00 0.26 H new ATOM 0 HB THR A 110 -6.245 -0.086 -9.597 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.699 0.424 -8.424 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.532 1.235 -10.787 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.942 2.230 -10.353 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.441 2.352 -9.405 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.055 -0.670 -6.468 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.963 -1.663 -5.888 1.00 0.27 C ATOM 1488 C ASN A 111 -9.276 -1.023 -5.457 1.00 0.26 C ATOM 1489 O ASN A 111 -10.358 -1.521 -5.773 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.310 -2.330 -4.677 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.547 -3.587 -5.040 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.311 -3.866 -6.213 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -6.156 -4.353 -4.034 1.00 1.61 N ATOM 0 H ASN A 111 -6.111 -0.698 -6.082 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.171 -2.410 -6.654 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.631 -1.623 -4.201 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.079 -2.576 -3.945 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.638 -5.212 -4.218 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.373 -4.084 -3.074 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.169 0.096 -4.751 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.334 0.807 -4.247 1.00 0.30 C ATOM 1502 C CYS A 112 -11.168 1.364 -5.397 1.00 0.31 C ATOM 1503 O CYS A 112 -12.398 1.328 -5.360 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.882 1.930 -3.301 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.629 3.546 -3.620 1.00 0.63 S ATOM 0 H CYS A 112 -8.278 0.533 -4.514 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.963 0.111 -3.692 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -10.112 1.636 -2.277 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.799 2.028 -3.369 1.00 0.36 H new ATOM 0 HG CYS A 112 -9.793 4.287 -4.285 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.489 1.841 -6.434 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.158 2.459 -7.573 1.00 0.36 C ATOM 1513 C TYR A 113 -11.870 1.413 -8.430 1.00 0.41 C ATOM 1514 O TYR A 113 -12.839 1.721 -9.123 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.146 3.229 -8.426 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.642 4.507 -7.788 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.522 5.435 -7.244 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.281 4.789 -7.739 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -10.061 6.606 -6.674 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.814 5.958 -7.166 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.709 6.863 -6.638 1.00 0.66 C ATOM 1522 OH TYR A 113 -8.255 8.034 -6.074 1.00 0.81 O ATOM 0 H TYR A 113 -9.472 1.811 -6.509 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.906 3.152 -7.188 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.295 2.580 -8.635 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.605 3.471 -9.385 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.584 5.238 -7.267 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.577 4.084 -8.155 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.759 7.317 -6.258 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.754 6.160 -7.133 1.00 0.65 H new ATOM 0 HH TYR A 113 -7.377 8.258 -6.447 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.382 0.179 -8.381 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.956 -0.908 -9.163 1.00 0.43 C ATOM 1534 C ILE A 114 -13.083 -1.599 -8.402 1.00 0.47 C ATOM 1535 O ILE A 114 -14.183 -1.784 -8.925 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.887 -1.960 -9.530 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.768 -1.322 -10.354 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.511 -3.119 -10.296 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.496 -2.144 -10.396 1.00 0.44 C ATOM 0 H ILE A 114 -10.586 -0.094 -7.805 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.353 -0.464 -10.076 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.461 -2.348 -8.605 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.123 -1.166 -11.373 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.541 -0.339 -9.942 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.740 -3.848 -10.544 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.274 -3.594 -9.679 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.966 -2.746 -11.213 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.749 -1.628 -10.999 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.116 -2.278 -9.383 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.707 -3.118 -10.836 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.803 -1.981 -7.163 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.756 -2.736 -6.360 1.00 0.51 C ATOM 1553 C TYR A 115 -14.938 -1.870 -5.934 1.00 0.52 C ATOM 1554 O TYR A 115 -16.073 -2.347 -5.854 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.063 -3.315 -5.121 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.010 -4.011 -4.166 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.653 -5.186 -4.528 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.262 -3.487 -2.905 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.524 -5.819 -3.661 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.130 -4.113 -2.031 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.757 -5.279 -2.414 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.622 -5.908 -1.544 1.00 1.22 O ATOM 0 H TYR A 115 -11.921 -1.780 -6.691 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.137 -3.550 -6.977 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.298 -4.022 -5.440 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.553 -2.511 -4.591 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.470 -5.613 -5.503 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -13.771 -2.574 -2.602 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -16.019 -6.731 -3.959 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.316 -3.691 -1.054 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.673 -5.399 -0.708 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.676 -0.600 -5.676 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.695 0.274 -5.112 1.00 0.41 C ATOM 1574 C ASN A 116 -16.152 1.322 -6.118 1.00 0.45 C ATOM 1575 O ASN A 116 -15.443 1.629 -7.078 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.178 0.938 -3.837 1.00 0.44 C ATOM 1577 CG ASN A 116 -15.313 0.031 -2.626 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -16.393 -0.486 -2.338 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -14.211 -0.187 -1.921 1.00 0.88 N ATOM 0 H ASN A 116 -13.775 -0.152 -5.846 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.561 -0.339 -4.862 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.131 1.211 -3.970 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.729 1.862 -3.661 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -14.239 -0.802 -1.108 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -13.335 0.260 -2.192 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.349 1.852 -5.896 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.947 2.829 -6.802 1.00 0.53 C ATOM 1588 C LYS A 117 -17.273 4.191 -6.651 1.00 0.52 C ATOM 1589 O LYS A 117 -16.813 4.539 -5.566 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.455 2.962 -6.541 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.864 2.695 -5.099 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.807 3.766 -4.572 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.925 3.172 -3.726 1.00 2.62 C ATOM 1594 NZ LYS A 117 -21.409 2.408 -2.558 1.00 3.47 N ATOM 0 H LYS A 117 -17.930 1.620 -5.090 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.797 2.474 -7.822 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.773 3.967 -6.817 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.988 2.269 -7.192 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.348 1.720 -5.033 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -18.974 2.653 -4.471 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.244 4.484 -3.977 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.238 4.314 -5.410 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.575 3.973 -3.374 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -22.535 2.515 -4.345 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -22.207 2.081 -1.977 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -20.866 1.587 -2.893 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -20.793 3.021 -1.987 1.00 3.47 H new ATOM 1608 N PRO A 118 -17.224 4.987 -7.736 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.577 6.309 -7.730 1.00 0.68 C ATOM 1610 C PRO A 118 -17.235 7.292 -6.758 1.00 0.70 C ATOM 1611 O PRO A 118 -16.650 8.317 -6.409 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.737 6.800 -9.175 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.852 5.994 -9.744 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.785 4.660 -9.060 1.00 0.68 C ATOM 0 HA PRO A 118 -15.541 6.241 -7.399 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.967 7.865 -9.205 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.818 6.656 -9.743 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -18.813 6.476 -9.566 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -17.745 5.886 -10.823 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.770 4.200 -8.977 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.151 3.960 -9.604 1.00 0.68 H new ATOM 1622 N THR A 119 -18.449 6.979 -6.326 1.00 0.67 N ATOM 1623 CA THR A 119 -19.172 7.831 -5.392 1.00 0.77 C ATOM 1624 C THR A 119 -19.023 7.330 -3.956 1.00 0.69 C ATOM 1625 O THR A 119 -19.652 7.853 -3.032 1.00 0.78 O ATOM 1626 CB THR A 119 -20.665 7.891 -5.756 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.929 7.025 -6.873 1.00 0.98 O ATOM 1628 CG2 THR A 119 -21.085 9.315 -6.101 1.00 1.23 C ATOM 0 H THR A 119 -18.955 6.139 -6.608 1.00 0.67 H new ATOM 0 HA THR A 119 -18.741 8.830 -5.462 1.00 0.77 H new ATOM 0 HB THR A 119 -21.242 7.561 -4.892 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.881 7.065 -7.100 1.00 0.98 H new ATOM 0 HG21 THR A 119 -22.145 9.330 -6.355 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.908 9.964 -5.244 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.503 9.670 -6.952 1.00 1.23 H new ATOM 1636 N ASP A 120 -18.182 6.320 -3.773 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.978 5.731 -2.460 1.00 0.59 C ATOM 1638 C ASP A 120 -17.059 6.597 -1.624 1.00 0.47 C ATOM 1639 O ASP A 120 -16.264 7.378 -2.153 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.394 4.323 -2.575 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.340 3.266 -2.054 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -19.342 3.628 -1.410 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.070 2.065 -2.265 1.00 1.19 O ATOM 0 H ASP A 120 -17.631 5.893 -4.518 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.950 5.667 -1.971 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.158 4.114 -3.618 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.457 4.274 -2.020 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.161 6.441 -0.317 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.373 7.238 0.612 1.00 0.51 C ATOM 1650 C ASP A 121 -14.900 6.882 0.496 1.00 0.39 C ATOM 1651 O ASP A 121 -14.041 7.762 0.489 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.847 7.024 2.049 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.189 7.670 2.325 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.443 8.768 1.789 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.997 7.091 3.084 1.00 1.44 O ATOM 0 H ASP A 121 -17.784 5.767 0.129 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.507 8.289 0.355 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -16.915 5.955 2.249 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.105 7.430 2.736 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.621 5.587 0.386 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.251 5.102 0.257 1.00 0.27 C ATOM 1662 C ILE A 122 -12.583 5.672 -0.996 1.00 0.25 C ATOM 1663 O ILE A 122 -11.393 5.987 -0.985 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.199 3.555 0.229 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.753 3.057 0.147 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.014 3.002 -0.929 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.009 3.135 1.461 1.00 0.42 C ATOM 0 H ILE A 122 -15.328 4.852 0.384 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.702 5.447 1.133 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.636 3.193 1.160 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.753 2.024 -0.200 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.217 3.644 -0.599 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.960 1.913 -0.925 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.053 3.314 -0.824 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.614 3.381 -1.869 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.992 2.766 1.326 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -10.977 4.170 1.800 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.521 2.525 2.206 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.356 5.831 -2.065 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.834 6.399 -3.299 1.00 0.25 C ATOM 1681 C VAL A 123 -12.518 7.875 -3.099 1.00 0.24 C ATOM 1682 O VAL A 123 -11.452 8.350 -3.491 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.828 6.234 -4.469 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.643 7.341 -5.497 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.665 4.867 -5.115 1.00 0.32 C ATOM 0 H VAL A 123 -14.343 5.575 -2.100 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.923 5.858 -3.553 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.840 6.309 -4.072 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.354 7.204 -6.312 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.815 8.308 -5.025 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.628 7.305 -5.892 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.373 4.767 -5.938 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.649 4.763 -5.496 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.856 4.090 -4.375 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.448 8.588 -2.474 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.262 9.998 -2.168 1.00 0.31 C ATOM 1697 C LEU A 124 -12.032 10.186 -1.295 1.00 0.29 C ATOM 1698 O LEU A 124 -11.362 11.219 -1.347 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.496 10.550 -1.452 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.313 11.561 -2.252 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.800 11.326 -2.039 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.934 12.981 -1.857 1.00 0.49 C ATOM 0 H LEU A 124 -14.344 8.208 -2.168 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.121 10.542 -3.102 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.143 9.716 -1.182 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.177 11.020 -0.522 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.091 11.428 -3.311 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.370 12.055 -2.616 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.060 10.320 -2.367 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -17.038 11.435 -0.981 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.525 13.690 -2.436 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -15.130 13.128 -0.795 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.875 13.144 -2.056 1.00 0.49 H new ATOM 1714 N MET A 125 -11.742 9.173 -0.501 1.00 0.25 N ATOM 1715 CA MET A 125 -10.583 9.196 0.362 1.00 0.26 C ATOM 1716 C MET A 125 -9.312 8.938 -0.438 1.00 0.24 C ATOM 1717 O MET A 125 -8.302 9.609 -0.239 1.00 0.25 O ATOM 1718 CB MET A 125 -10.727 8.160 1.479 1.00 0.35 C ATOM 1719 CG MET A 125 -11.790 8.524 2.504 1.00 0.62 C ATOM 1720 SD MET A 125 -12.421 7.097 3.408 1.00 0.54 S ATOM 1721 CE MET A 125 -13.467 7.917 4.610 1.00 0.62 C ATOM 0 H MET A 125 -12.298 8.320 -0.438 1.00 0.25 H new ATOM 0 HA MET A 125 -10.512 10.186 0.812 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.972 7.193 1.039 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.768 8.046 1.985 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.373 9.240 3.212 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.618 9.021 1.999 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.866 7.181 5.308 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.882 8.656 5.157 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.290 8.414 4.097 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.384 7.981 -1.355 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.237 7.585 -2.162 1.00 0.27 C ATOM 1733 C ALA A 126 -7.608 8.773 -2.889 1.00 0.25 C ATOM 1734 O ALA A 126 -6.387 8.925 -2.882 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.640 6.506 -3.154 1.00 0.31 C ATOM 0 H ALA A 126 -10.236 7.459 -1.560 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.482 7.185 -1.485 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.774 6.219 -3.751 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -9.013 5.636 -2.614 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.422 6.888 -3.810 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.439 9.620 -3.496 1.00 0.27 N ATOM 1742 CA GLN A 127 -7.934 10.790 -4.217 1.00 0.30 C ATOM 1743 C GLN A 127 -7.141 11.701 -3.286 1.00 0.28 C ATOM 1744 O GLN A 127 -6.059 12.177 -3.636 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.065 11.596 -4.875 1.00 0.38 C ATOM 1746 CG GLN A 127 -10.465 11.053 -4.644 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.529 12.127 -4.770 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.974 12.458 -5.869 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.950 12.680 -3.646 1.00 1.62 N ATOM 0 H GLN A 127 -9.454 9.521 -3.504 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.280 10.414 -5.004 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -9.024 12.620 -4.503 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -8.882 11.639 -5.949 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -10.667 10.259 -5.363 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -10.519 10.606 -3.651 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.559 12.381 -2.753 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.666 13.406 -3.672 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.679 11.929 -2.092 1.00 0.27 N ATOM 1759 CA ALA A 128 -7.025 12.782 -1.106 1.00 0.28 C ATOM 1760 C ALA A 128 -5.749 12.125 -0.589 1.00 0.24 C ATOM 1761 O ALA A 128 -4.741 12.794 -0.352 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.968 13.080 0.049 1.00 0.32 C ATOM 0 H ALA A 128 -8.568 11.534 -1.784 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.759 13.722 -1.590 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.464 13.717 0.775 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.855 13.590 -0.328 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.262 12.146 0.528 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.812 10.810 -0.426 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.677 10.020 0.041 1.00 0.17 C ATOM 1770 C LEU A 129 -3.535 10.062 -0.973 1.00 0.17 C ATOM 1771 O LEU A 129 -2.364 10.185 -0.608 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.115 8.565 0.257 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.588 8.191 1.671 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.516 9.251 2.238 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.283 6.840 1.640 1.00 0.33 C ATOM 0 H LEU A 129 -6.650 10.260 -0.613 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.325 10.443 0.982 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.922 8.345 -0.442 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.280 7.915 -0.006 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.715 8.131 2.321 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.834 8.959 3.239 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.991 10.205 2.288 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.390 9.351 1.594 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.616 6.579 2.644 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.144 6.889 0.973 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.588 6.081 1.280 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.896 9.977 -2.252 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.924 9.926 -3.343 1.00 0.22 C ATOM 1789 C GLU A 130 -2.027 11.159 -3.362 1.00 0.20 C ATOM 1790 O GLU A 130 -0.899 11.098 -3.855 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.645 9.798 -4.688 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.627 8.391 -5.263 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.498 8.255 -6.494 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -5.688 8.624 -6.433 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.994 7.789 -7.540 1.00 1.47 O ATOM 0 H GLU A 130 -4.867 9.942 -2.561 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.294 9.052 -3.177 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.680 10.117 -4.567 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.183 10.479 -5.403 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.602 8.119 -5.515 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.966 7.687 -4.503 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.516 12.264 -2.807 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.769 13.511 -2.807 1.00 0.28 C ATOM 1804 C LYS A 131 -0.480 13.348 -2.025 1.00 0.25 C ATOM 1805 O LYS A 131 0.581 13.768 -2.474 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.603 14.639 -2.204 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.405 15.418 -3.233 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.871 15.501 -2.846 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.778 15.250 -4.036 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.886 16.439 -4.922 1.00 2.24 N ATOM 0 H LYS A 131 -3.427 12.318 -2.352 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.531 13.768 -3.839 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.286 14.220 -1.465 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -1.942 15.326 -1.675 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -2.995 16.423 -3.331 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -3.311 14.940 -4.208 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.084 14.771 -2.065 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.082 16.485 -2.428 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.396 14.405 -4.610 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.771 14.972 -3.682 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.515 16.221 -5.721 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -6.275 17.239 -4.383 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.943 16.690 -5.283 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.575 12.702 -0.870 1.00 0.28 N ATOM 1825 CA ILE A 132 0.585 12.483 -0.024 1.00 0.33 C ATOM 1826 C ILE A 132 1.564 11.534 -0.703 1.00 0.26 C ATOM 1827 O ILE A 132 2.782 11.692 -0.586 1.00 0.29 O ATOM 1828 CB ILE A 132 0.191 11.907 1.351 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -0.841 12.812 2.034 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.424 11.739 2.229 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.156 12.408 3.459 1.00 0.59 C ATOM 0 H ILE A 132 -1.446 12.321 -0.500 1.00 0.28 H new ATOM 0 HA ILE A 132 1.057 13.453 0.133 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.260 10.926 1.201 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -0.471 13.837 2.030 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.762 12.803 1.451 1.00 0.46 H new ATOM 0 HG21 ILE A 132 1.129 11.332 3.196 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.124 11.057 1.746 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.902 12.708 2.374 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -1.893 13.094 3.877 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.556 11.394 3.470 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.246 12.445 4.057 1.00 0.59 H new ATOM 1843 N PHE A 133 1.020 10.563 -1.428 1.00 0.25 N ATOM 1844 CA PHE A 133 1.834 9.584 -2.129 1.00 0.28 C ATOM 1845 C PHE A 133 2.752 10.267 -3.139 1.00 0.26 C ATOM 1846 O PHE A 133 3.971 10.238 -2.987 1.00 0.28 O ATOM 1847 CB PHE A 133 0.943 8.558 -2.835 1.00 0.34 C ATOM 1848 CG PHE A 133 1.710 7.517 -3.597 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.677 6.750 -2.966 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.463 7.304 -4.943 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.382 5.790 -3.666 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.164 6.345 -5.647 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.135 5.592 -5.003 1.00 0.44 C ATOM 0 H PHE A 133 0.015 10.435 -1.544 1.00 0.25 H new ATOM 0 HA PHE A 133 2.453 9.067 -1.395 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.315 8.064 -2.094 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.276 9.080 -3.521 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.881 6.904 -1.917 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.713 7.895 -5.448 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.128 5.194 -3.162 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.957 6.182 -6.694 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.696 4.851 -5.552 1.00 0.44 H new ATOM 1863 N LEU A 134 2.166 10.930 -4.133 1.00 0.27 N ATOM 1864 CA LEU A 134 2.954 11.570 -5.184 1.00 0.34 C ATOM 1865 C LEU A 134 3.805 12.699 -4.611 1.00 0.34 C ATOM 1866 O LEU A 134 4.876 13.011 -5.131 1.00 0.43 O ATOM 1867 CB LEU A 134 2.049 12.096 -6.305 1.00 0.42 C ATOM 1868 CG LEU A 134 0.972 13.095 -5.873 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.380 14.516 -6.231 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.358 12.754 -6.525 1.00 0.59 C ATOM 0 H LEU A 134 1.157 11.038 -4.233 1.00 0.27 H new ATOM 0 HA LEU A 134 3.620 10.818 -5.608 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.675 12.569 -7.061 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.560 11.246 -6.782 1.00 0.42 H new ATOM 0 HG LEU A 134 0.862 13.029 -4.791 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.600 15.209 -5.915 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.313 14.765 -5.726 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.519 14.594 -7.309 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.113 13.473 -6.208 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.252 12.793 -7.609 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.663 11.751 -6.226 1.00 0.59 H new ATOM 1882 N GLN A 135 3.318 13.294 -3.530 1.00 0.29 N ATOM 1883 CA GLN A 135 4.021 14.374 -2.852 1.00 0.35 C ATOM 1884 C GLN A 135 5.378 13.908 -2.344 1.00 0.36 C ATOM 1885 O GLN A 135 6.406 14.529 -2.613 1.00 0.55 O ATOM 1886 CB GLN A 135 3.183 14.872 -1.677 1.00 0.37 C ATOM 1887 CG GLN A 135 2.699 16.302 -1.826 1.00 0.51 C ATOM 1888 CD GLN A 135 1.691 16.676 -0.761 1.00 1.06 C ATOM 1889 OE1 GLN A 135 1.960 16.554 0.435 1.00 1.43 O ATOM 1890 NE2 GLN A 135 0.523 17.125 -1.188 1.00 1.61 N ATOM 0 H GLN A 135 2.428 13.042 -3.100 1.00 0.29 H new ATOM 0 HA GLN A 135 4.178 15.182 -3.566 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.319 14.218 -1.557 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.773 14.792 -0.764 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.551 16.980 -1.772 1.00 0.51 H new ATOM 0 HG3 GLN A 135 2.250 16.432 -2.811 1.00 0.51 H new ATOM 0 HE21 GLN A 135 0.344 17.210 -2.189 1.00 1.61 H new ATOM 0 HE22 GLN A 135 -0.199 17.387 -0.517 1.00 1.61 H new ATOM 1899 N LYS A 136 5.373 12.803 -1.614 1.00 0.25 N ATOM 1900 CA LYS A 136 6.583 12.296 -0.989 1.00 0.26 C ATOM 1901 C LYS A 136 7.423 11.507 -1.990 1.00 0.23 C ATOM 1902 O LYS A 136 8.645 11.424 -1.860 1.00 0.25 O ATOM 1903 CB LYS A 136 6.221 11.429 0.217 1.00 0.32 C ATOM 1904 CG LYS A 136 6.192 12.196 1.534 1.00 0.54 C ATOM 1905 CD LYS A 136 4.892 12.966 1.713 1.00 0.50 C ATOM 1906 CE LYS A 136 5.044 14.096 2.720 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.153 15.427 2.059 1.00 1.52 N ATOM 0 H LYS A 136 4.541 12.239 -1.440 1.00 0.25 H new ATOM 0 HA LYS A 136 7.180 13.142 -0.647 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.244 10.977 0.048 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.940 10.614 0.297 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.319 11.499 2.363 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.032 12.889 1.569 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.575 13.374 0.753 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.108 12.285 2.045 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.188 14.096 3.395 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.931 13.921 3.329 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.255 16.167 2.783 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.984 15.437 1.434 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.296 15.607 1.498 1.00 1.52 H new ATOM 1921 N VAL A 137 6.766 10.944 -2.999 1.00 0.23 N ATOM 1922 CA VAL A 137 7.460 10.222 -4.056 1.00 0.25 C ATOM 1923 C VAL A 137 8.273 11.191 -4.913 1.00 0.30 C ATOM 1924 O VAL A 137 9.328 10.840 -5.445 1.00 0.33 O ATOM 1925 CB VAL A 137 6.474 9.425 -4.944 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.163 8.899 -6.194 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.866 8.279 -4.152 1.00 0.33 C ATOM 0 H VAL A 137 5.752 10.975 -3.106 1.00 0.23 H new ATOM 0 HA VAL A 137 8.134 9.509 -3.582 1.00 0.25 H new ATOM 0 HB VAL A 137 5.678 10.100 -5.259 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.446 8.343 -6.798 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.554 9.735 -6.773 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.983 8.241 -5.908 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.174 7.725 -4.786 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.658 7.612 -3.810 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.329 8.676 -3.290 1.00 0.33 H new ATOM 1937 N ALA A 138 7.797 12.427 -5.011 1.00 0.34 N ATOM 1938 CA ALA A 138 8.500 13.466 -5.748 1.00 0.43 C ATOM 1939 C ALA A 138 9.792 13.847 -5.034 1.00 0.43 C ATOM 1940 O ALA A 138 10.666 14.496 -5.607 1.00 0.50 O ATOM 1941 CB ALA A 138 7.611 14.687 -5.926 1.00 0.50 C ATOM 0 H ALA A 138 6.922 12.733 -4.586 1.00 0.34 H new ATOM 0 HA ALA A 138 8.753 13.077 -6.734 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.153 15.454 -6.479 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.714 14.407 -6.478 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.328 15.077 -4.948 1.00 0.50 H new ATOM 1947 N GLN A 139 9.904 13.433 -3.779 1.00 0.39 N ATOM 1948 CA GLN A 139 11.089 13.715 -2.983 1.00 0.43 C ATOM 1949 C GLN A 139 11.923 12.449 -2.807 1.00 0.40 C ATOM 1950 O GLN A 139 12.979 12.467 -2.171 1.00 0.45 O ATOM 1951 CB GLN A 139 10.690 14.278 -1.616 1.00 0.45 C ATOM 1952 CG GLN A 139 9.522 15.248 -1.670 1.00 0.54 C ATOM 1953 CD GLN A 139 9.890 16.638 -1.195 1.00 1.08 C ATOM 1954 OE1 GLN A 139 10.674 17.341 -1.834 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.319 17.050 -0.076 1.00 1.56 N ATOM 0 H GLN A 139 9.186 12.899 -3.290 1.00 0.39 H new ATOM 0 HA GLN A 139 11.689 14.459 -3.506 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.433 13.451 -0.954 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.550 14.783 -1.176 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.150 15.305 -2.693 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.708 14.863 -1.056 1.00 0.54 H new ATOM 0 HE21 GLN A 139 8.675 16.437 0.424 1.00 1.56 H new ATOM 0 HE22 GLN A 139 9.522 17.981 0.288 1.00 1.56 H new ATOM 1964 N MET A 140 11.438 11.352 -3.376 1.00 0.35 N ATOM 1965 CA MET A 140 12.104 10.060 -3.263 1.00 0.35 C ATOM 1966 C MET A 140 13.405 10.050 -4.063 1.00 0.40 C ATOM 1967 O MET A 140 13.502 10.707 -5.102 1.00 0.48 O ATOM 1968 CB MET A 140 11.185 8.950 -3.772 1.00 0.38 C ATOM 1969 CG MET A 140 10.432 8.223 -2.672 1.00 0.66 C ATOM 1970 SD MET A 140 11.025 6.542 -2.431 1.00 0.86 S ATOM 1971 CE MET A 140 10.367 5.766 -3.900 1.00 0.67 C ATOM 0 H MET A 140 10.578 11.332 -3.925 1.00 0.35 H new ATOM 0 HA MET A 140 12.336 9.888 -2.212 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.465 9.379 -4.470 1.00 0.38 H new ATOM 0 HB3 MET A 140 11.779 8.227 -4.331 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.532 8.778 -1.739 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.370 8.199 -2.917 1.00 0.66 H new ATOM 0 HE1 MET A 140 11.029 4.959 -4.213 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.378 5.361 -3.686 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.292 6.504 -4.699 1.00 0.67 H new ATOM 1981 N PRO A 141 14.426 9.313 -3.599 1.00 0.42 N ATOM 1982 CA PRO A 141 15.693 9.205 -4.308 1.00 0.52 C ATOM 1983 C PRO A 141 15.651 8.097 -5.351 1.00 0.61 C ATOM 1984 O PRO A 141 16.155 6.995 -5.122 1.00 0.67 O ATOM 1985 CB PRO A 141 16.661 8.850 -3.183 1.00 0.55 C ATOM 1986 CG PRO A 141 15.856 7.989 -2.275 1.00 0.53 C ATOM 1987 CD PRO A 141 14.440 8.523 -2.346 1.00 0.46 C ATOM 0 HA PRO A 141 15.961 10.108 -4.857 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.537 8.322 -3.561 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.023 9.742 -2.671 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.896 6.946 -2.588 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.239 8.031 -1.255 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.708 7.716 -2.373 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.201 9.141 -1.480 1.00 0.46 H new ATOM 1995 N GLN A 142 15.058 8.384 -6.505 1.00 0.76 N ATOM 1996 CA GLN A 142 14.919 7.376 -7.552 1.00 0.94 C ATOM 1997 C GLN A 142 16.243 7.148 -8.280 1.00 0.93 C ATOM 1998 O GLN A 142 16.275 6.665 -9.411 1.00 1.17 O ATOM 1999 CB GLN A 142 13.812 7.757 -8.537 1.00 1.21 C ATOM 2000 CG GLN A 142 12.574 6.890 -8.406 1.00 1.60 C ATOM 2001 CD GLN A 142 12.808 5.475 -8.897 1.00 2.34 C ATOM 2002 OE1 GLN A 142 13.076 5.251 -10.077 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.713 4.514 -7.996 1.00 2.91 N ATOM 0 H GLN A 142 14.669 9.297 -6.739 1.00 0.76 H new ATOM 0 HA GLN A 142 14.636 6.438 -7.074 1.00 0.94 H new ATOM 0 HB2 GLN A 142 13.536 8.800 -8.379 1.00 1.21 H new ATOM 0 HB3 GLN A 142 14.196 7.680 -9.554 1.00 1.21 H new ATOM 0 HG2 GLN A 142 12.261 6.863 -7.362 1.00 1.60 H new ATOM 0 HG3 GLN A 142 11.758 7.338 -8.972 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.489 4.743 -7.028 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.864 3.543 -8.268 1.00 2.91 H new ATOM 2012 N GLU A 143 17.325 7.511 -7.614 1.00 0.80 N ATOM 2013 CA GLU A 143 18.658 7.190 -8.052 1.00 0.91 C ATOM 2014 C GLU A 143 19.054 5.861 -7.433 1.00 0.87 C ATOM 2015 O GLU A 143 19.797 5.072 -8.022 1.00 1.20 O ATOM 2016 CB GLU A 143 19.602 8.283 -7.583 1.00 1.04 C ATOM 2017 CG GLU A 143 18.999 9.674 -7.677 1.00 1.22 C ATOM 2018 CD GLU A 143 19.499 10.597 -6.587 1.00 1.94 C ATOM 2019 OE1 GLU A 143 20.603 11.157 -6.736 1.00 2.30 O ATOM 2020 OE2 GLU A 143 18.789 10.761 -5.570 1.00 2.70 O ATOM 0 H GLU A 143 17.295 8.043 -6.744 1.00 0.80 H new ATOM 0 HA GLU A 143 18.704 7.118 -9.139 1.00 0.91 H new ATOM 0 HB2 GLU A 143 19.889 8.088 -6.550 1.00 1.04 H new ATOM 0 HB3 GLU A 143 20.514 8.248 -8.180 1.00 1.04 H new ATOM 0 HG2 GLU A 143 19.236 10.104 -8.650 1.00 1.22 H new ATOM 0 HG3 GLU A 143 17.913 9.601 -7.617 1.00 1.22 H new ATOM 2027 N GLU A 144 18.530 5.659 -6.222 1.00 0.77 N ATOM 2028 CA GLU A 144 18.693 4.430 -5.452 1.00 0.77 C ATOM 2029 C GLU A 144 20.091 4.336 -4.852 1.00 0.82 C ATOM 2030 O GLU A 144 21.082 4.217 -5.567 1.00 1.16 O ATOM 2031 CB GLU A 144 18.408 3.191 -6.311 1.00 0.82 C ATOM 2032 CG GLU A 144 18.251 1.918 -5.503 1.00 1.04 C ATOM 2033 CD GLU A 144 16.952 1.899 -4.737 1.00 1.58 C ATOM 2034 OE1 GLU A 144 15.891 1.747 -5.372 1.00 1.87 O ATOM 2035 OE2 GLU A 144 16.994 2.024 -3.496 1.00 2.34 O ATOM 0 H GLU A 144 17.969 6.362 -5.742 1.00 0.77 H new ATOM 0 HA GLU A 144 17.967 4.462 -4.639 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.499 3.360 -6.888 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.220 3.060 -7.026 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.293 1.057 -6.170 1.00 1.04 H new ATOM 0 HG3 GLU A 144 19.085 1.824 -4.807 1.00 1.04 H new ATOM 2042 N VAL A 145 20.158 4.408 -3.532 1.00 0.63 N ATOM 2043 CA VAL A 145 21.418 4.261 -2.821 1.00 0.68 C ATOM 2044 C VAL A 145 21.287 3.170 -1.771 1.00 0.61 C ATOM 2045 O VAL A 145 20.483 3.286 -0.853 1.00 0.61 O ATOM 2046 CB VAL A 145 21.851 5.573 -2.127 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.279 5.461 -1.616 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.715 6.764 -3.066 1.00 0.88 C ATOM 0 H VAL A 145 19.351 4.568 -2.929 1.00 0.63 H new ATOM 0 HA VAL A 145 22.178 3.999 -3.557 1.00 0.68 H new ATOM 0 HB VAL A 145 21.188 5.736 -1.278 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.566 6.394 -1.131 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.346 4.643 -0.898 1.00 0.99 H new ATOM 0 HG13 VAL A 145 23.950 5.266 -2.452 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.027 7.672 -2.550 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.345 6.610 -3.942 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.676 6.864 -3.379 1.00 0.88 H new ATOM 2058 N GLU A 146 22.054 2.105 -1.920 1.00 0.66 N ATOM 2059 CA GLU A 146 22.015 0.998 -0.977 1.00 0.68 C ATOM 2060 C GLU A 146 22.700 1.386 0.332 1.00 0.72 C ATOM 2061 O GLU A 146 23.651 2.173 0.337 1.00 0.75 O ATOM 2062 CB GLU A 146 22.687 -0.232 -1.586 1.00 0.79 C ATOM 2063 CG GLU A 146 22.423 -1.519 -0.821 1.00 1.00 C ATOM 2064 CD GLU A 146 22.637 -2.755 -1.671 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.711 -2.879 -2.304 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.743 -3.621 -1.698 1.00 1.24 O ATOM 0 H GLU A 146 22.714 1.982 -2.688 1.00 0.66 H new ATOM 0 HA GLU A 146 20.974 0.759 -0.761 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.340 -0.353 -2.612 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.763 -0.062 -1.631 1.00 0.79 H new ATOM 0 HG2 GLU A 146 23.079 -1.562 0.048 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.399 -1.512 -0.447 1.00 1.00 H new ATOM 2073 N LEU A 147 22.206 0.847 1.436 1.00 0.76 N ATOM 2074 CA LEU A 147 22.777 1.130 2.741 1.00 0.86 C ATOM 2075 C LEU A 147 23.618 -0.048 3.207 1.00 1.01 C ATOM 2076 O LEU A 147 24.298 0.072 4.245 1.00 1.57 O ATOM 2077 CB LEU A 147 21.676 1.414 3.766 1.00 0.86 C ATOM 2078 CG LEU A 147 20.786 2.619 3.464 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.572 2.619 4.377 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.569 3.914 3.620 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.582 -1.103 2.536 1.00 1.46 O ATOM 0 H LEU A 147 21.409 0.210 1.453 1.00 0.76 H new ATOM 0 HA LEU A 147 23.408 2.015 2.654 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.044 0.530 3.848 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.142 1.564 4.740 1.00 0.86 H new ATOM 0 HG LEU A 147 20.445 2.547 2.431 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.947 3.483 4.151 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.999 1.705 4.220 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.898 2.669 5.416 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.919 4.761 3.401 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.938 3.995 4.642 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.412 3.915 2.929 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -18.196 -2.896 6.492 1.00 2.17 N ATOM 2095 CA GLY B 311 -18.459 -2.159 5.233 1.00 1.75 C ATOM 2096 C GLY B 311 -17.246 -1.384 4.760 1.00 1.45 C ATOM 2097 O GLY B 311 -16.926 -0.326 5.302 1.00 1.85 O ATOM 0 HA2 GLY B 311 -18.763 -2.863 4.458 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -19.291 -1.472 5.383 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.423 -1.036 -1.504 1.00 1.52 O HETATM 2102 CH ALY B 312 -10.466 -1.220 -0.744 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -9.052 -1.003 -1.211 1.00 1.86 C HETATM 2104 NZ ALY B 312 -10.611 -1.598 0.521 1.00 1.27 N HETATM 2105 CE ALY B 312 -11.902 -1.859 1.145 1.00 1.51 C HETATM 2106 CD ALY B 312 -11.761 -2.267 2.604 1.00 1.71 C HETATM 2107 CG ALY B 312 -12.889 -1.702 3.452 1.00 1.76 C HETATM 2108 CB ALY B 312 -14.244 -2.239 3.015 1.00 1.59 C HETATM 2109 CA ALY B 312 -15.384 -1.242 3.217 1.00 1.22 C HETATM 2110 N ALY B 312 -16.560 -1.907 3.756 1.00 1.27 N HETATM 2111 C ALY B 312 -15.718 -0.545 1.906 1.00 1.31 C HETATM 2112 O ALY B 312 -15.387 -1.031 0.824 1.00 1.71 O HETATM 0 HH33 ALY B 312 -8.840 -1.666 -2.050 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -8.928 0.033 -1.527 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -8.362 -1.218 -0.395 1.00 1.86 H new HETATM 0 HZ ALY B 312 -9.771 -1.712 1.088 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -12.888 -0.614 3.381 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -12.718 -1.953 4.499 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -12.416 -2.648 0.596 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -12.524 -0.966 1.077 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -10.804 -1.917 2.990 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -11.757 -3.354 2.680 1.00 1.71 H new HETATM 0 HCA ALY B 312 -15.059 -0.490 3.936 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -14.463 -3.149 3.573 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -14.195 -2.515 1.962 1.00 1.59 H new HETATM 0 H ALY B 312 -16.538 -2.909 3.944 1.00 1.27 H new ATOM 2127 N GLY B 313 -16.390 0.589 2.020 1.00 1.29 N ATOM 2128 CA GLY B 313 -16.749 1.374 0.857 1.00 1.46 C ATOM 2129 C GLY B 313 -17.422 2.665 1.260 1.00 1.36 C ATOM 2130 O GLY B 313 -16.790 3.722 1.308 1.00 1.97 O ATOM 0 H GLY B 313 -16.697 0.984 2.909 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -15.856 1.593 0.272 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -17.416 0.797 0.216 1.00 1.46 H new ATOM 2134 N LYS B 314 -18.706 2.573 1.555 1.00 1.20 N ATOM 2135 CA LYS B 314 -19.446 3.690 2.115 1.00 1.15 C ATOM 2136 C LYS B 314 -19.422 3.582 3.633 1.00 1.02 C ATOM 2137 O LYS B 314 -19.749 2.533 4.188 1.00 1.28 O ATOM 2138 CB LYS B 314 -20.890 3.695 1.602 1.00 1.53 C ATOM 2139 CG LYS B 314 -21.463 5.091 1.393 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.082 5.641 2.672 1.00 2.24 C ATOM 2141 CE LYS B 314 -22.552 7.078 2.497 1.00 2.95 C ATOM 2142 NZ LYS B 314 -21.425 8.047 2.548 1.00 3.58 N ATOM 0 H LYS B 314 -19.262 1.729 1.415 1.00 1.20 H new ATOM 0 HA LYS B 314 -18.980 4.625 1.805 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -20.933 3.150 0.659 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.519 3.156 2.310 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -20.674 5.761 1.053 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -22.217 5.061 0.607 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -22.925 5.016 2.967 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -21.352 5.593 3.480 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -23.070 7.176 1.543 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -23.273 7.320 3.278 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -21.723 8.899 3.065 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -20.615 7.612 3.034 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -21.148 8.309 1.580 1.00 3.58 H new HETATM 2156 OH ALY B 315 -12.900 1.280 7.552 1.00 1.76 O HETATM 2157 CH ALY B 315 -13.856 0.674 7.068 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -13.937 -0.826 7.144 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.869 1.283 6.468 1.00 1.04 N HETATM 2160 CE ALY B 315 -14.958 2.730 6.300 1.00 1.26 C HETATM 2161 CD ALY B 315 -16.249 3.145 5.614 1.00 1.06 C HETATM 2162 CG ALY B 315 -16.336 4.657 5.447 1.00 0.98 C HETATM 2163 CB ALY B 315 -17.544 5.240 6.171 1.00 0.92 C HETATM 2164 CA ALY B 315 -18.883 4.623 5.745 1.00 0.90 C HETATM 2165 N ALY B 315 -19.019 4.649 4.299 1.00 0.86 N HETATM 2166 C ALY B 315 -20.050 5.350 6.406 1.00 1.19 C HETATM 2167 O ALY B 315 -21.102 4.757 6.640 1.00 1.94 O HETATM 0 HH33 ALY B 315 -13.076 -1.263 6.638 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -13.941 -1.138 8.188 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -14.853 -1.166 6.661 1.00 1.45 H new HETATM 0 HZ ALY B 315 -15.629 0.708 6.103 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -16.395 4.902 4.387 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -15.426 5.118 5.831 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -14.108 3.080 5.715 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -14.894 3.213 7.275 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -17.100 2.793 6.197 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -16.312 2.666 4.637 1.00 1.06 H new HETATM 0 HCA ALY B 315 -18.899 3.584 6.075 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -17.578 6.315 5.993 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -17.415 5.098 7.244 1.00 0.92 H new HETATM 0 H ALY B 315 -18.275 5.043 3.724 1.00 0.86 H new ATOM 2182 N LYS B 316 -19.869 6.634 6.680 1.00 1.45 N ATOM 2183 CA LYS B 316 -20.876 7.427 7.362 1.00 1.75 C ATOM 2184 C LYS B 316 -20.487 8.894 7.317 1.00 2.25 C ATOM 2185 O LYS B 316 -19.628 9.250 6.485 1.00 2.57 O ATOM 2186 CB LYS B 316 -21.021 6.976 8.820 1.00 2.43 C ATOM 2187 CG LYS B 316 -22.454 6.673 9.232 1.00 2.91 C ATOM 2188 CD LYS B 316 -22.870 7.482 10.450 1.00 3.60 C ATOM 2189 CE LYS B 316 -23.554 8.779 10.051 1.00 4.12 C ATOM 2190 NZ LYS B 316 -22.661 9.957 10.210 1.00 4.60 N ATOM 0 H LYS B 316 -19.024 7.151 6.437 1.00 1.45 H new ATOM 0 HA LYS B 316 -21.832 7.286 6.857 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -20.412 6.086 8.977 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -20.623 7.753 9.472 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -23.126 6.893 8.402 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -22.553 5.610 9.450 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -23.544 6.889 11.069 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -21.993 7.704 11.057 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -23.881 8.711 9.014 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -24.448 8.918 10.659 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -23.169 10.819 9.926 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -22.368 10.039 11.205 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -21.820 9.838 9.610 1.00 4.60 H new TER 2204 LYS B 316