USER MOD reduce.3.24.130724 H: found=0, std=0, add=1336, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1264 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 THR OG1 : rot 178:sc= -0.936 USER MOD Set 1.2: A 103 ASN : amide:sc= 0 K(o=-0.94,f=-1.5) USER MOD Set 2.1: A -3 SER OG : rot -58:sc= -2.22! USER MOD Set 2.2: A -7 HIS : no HD1:sc= 0.0865 K(o=-2.1,f=-4) USER MOD Set 3.1: A -4 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A -5 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Set 4.1: A 3 TYR OH : rot 30:sc= -1.35 USER MOD Set 4.2: A 14 MET CE :methyl 178:sc= -1.16 (180deg=-1.21) USER MOD Single : A 0 MET CE :methyl -160:sc= -2.52 (180deg=-3.78!) USER MOD Single : A 2 LYS NZ :NH3+ -143:sc= -1.3 (180deg=-3.47!) USER MOD Single : A -1 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-2) USER MOD Single : A -6 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.015) USER MOD Single : A -8 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.15) USER MOD Single : A -9 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.042) USER MOD Single : A 10 TYR OH : rot 130:sc= -0.923 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0174 F(o=-0.91,f=-0.017) USER MOD Single : A 24 ASN : amide:sc= 0.716 K(o=0.72,f=-1.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 2.41 (180deg=2.3) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 160:sc= 1.15 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0.941) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.289 F(o=-4.8!,f=-0.29) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.869) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc=-0.00346 (180deg=-0.179) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0113 (180deg=-0.143) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= -0.183 (180deg=-0.189) USER MOD Single : A 67 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.41) USER MOD Single : A 69 MET CE :methyl 169:sc= -1.7! (180deg=-1.92) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 82:sc= 1.29 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 1.17 (180deg=1.06) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.12) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0501 (180deg=-0.303) USER MOD Single : A 88 SER OG : rot -77:sc= 1.02 USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= -0.86 (180deg=-1.37!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A -11 SER OG : rot 180:sc= 0 USER MOD Single : A -12 SER OG : rot 180:sc= 0 USER MOD Single : A -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -14 MET N :NH3+ 134:sc= 0.024 (180deg=0) USER MOD Single : A 100 TYR OH : rot 67:sc= 0.538 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00176) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.04) USER MOD Single : A 113 SER OG : rot -150:sc= -2.24! USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0256) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= -0.01 (180deg=-0.192) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= 2.03 (180deg=1.71) USER MOD Single : A 124 MET CE :methyl -156:sc= -0.951 (180deg=-1.13) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -129:sc= 0.471 (180deg=-0.703) USER MOD Single : A 134 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.26) USER MOD Single : A 135 GLN : amide:sc= -0.706 K(o=-0.71,f=-2.1) USER MOD Single : A 141 LYS NZ :NH3+ -166:sc= -0.0226 (180deg=-0.229) USER MOD Single : A 145 SER OG : rot 70:sc= 0.703 USER MOD Single : A 147 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.982) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 13.309 30.064 -33.291 1.00 23.34 N ATOM 2 CA MET A -14 11.973 30.585 -32.933 1.00 23.09 C ATOM 3 C MET A -14 11.011 29.433 -32.683 1.00 22.83 C ATOM 4 O MET A -14 11.057 28.412 -33.372 1.00 23.06 O ATOM 5 CB MET A -14 11.435 31.488 -34.049 1.00 23.32 C ATOM 6 CG MET A -14 10.063 32.077 -33.756 1.00 23.49 C ATOM 7 SD MET A -14 10.039 33.054 -32.240 1.00 23.59 S ATOM 8 CE MET A -14 8.321 33.565 -32.200 1.00 23.42 C ATOM 0 H1 MET A -14 13.674 30.582 -34.115 1.00 23.34 H new ATOM 0 H2 MET A -14 13.957 30.190 -32.488 1.00 23.34 H new ATOM 0 H3 MET A -14 13.237 29.053 -33.522 1.00 23.34 H new ATOM 0 HA MET A -14 12.063 31.174 -32.021 1.00 23.09 H new ATOM 0 HB2 MET A -14 12.141 32.302 -34.217 1.00 23.32 H new ATOM 0 HB3 MET A -14 11.384 30.914 -34.974 1.00 23.32 H new ATOM 0 HG2 MET A -14 9.754 32.703 -34.593 1.00 23.49 H new ATOM 0 HG3 MET A -14 9.335 31.270 -33.676 1.00 23.49 H new ATOM 0 HE1 MET A -14 8.145 34.180 -31.317 1.00 23.42 H new ATOM 0 HE2 MET A -14 8.092 34.142 -33.096 1.00 23.42 H new ATOM 0 HE3 MET A -14 7.680 32.684 -32.163 1.00 23.42 H new ATOM 20 N GLY A -13 10.152 29.591 -31.688 1.00 22.47 N ATOM 21 CA GLY A -13 9.184 28.564 -31.376 1.00 22.32 C ATOM 22 C GLY A -13 9.131 28.273 -29.895 1.00 21.64 C ATOM 23 O GLY A -13 10.152 28.328 -29.210 1.00 21.33 O ATOM 0 H GLY A -13 10.109 30.416 -31.090 1.00 22.47 H new ATOM 0 HA2 GLY A -13 8.198 28.877 -31.720 1.00 22.32 H new ATOM 0 HA3 GLY A -13 9.435 27.652 -31.917 1.00 22.32 H new ATOM 27 N SER A -12 7.948 27.969 -29.396 1.00 21.51 N ATOM 28 CA SER A -12 7.763 27.697 -27.981 1.00 20.97 C ATOM 29 C SER A -12 7.239 26.279 -27.760 1.00 20.41 C ATOM 30 O SER A -12 7.138 25.816 -26.625 1.00 20.34 O ATOM 31 CB SER A -12 6.794 28.719 -27.385 1.00 21.18 C ATOM 32 OG SER A -12 7.208 30.046 -27.679 1.00 21.36 O ATOM 0 H SER A -12 7.095 27.904 -29.952 1.00 21.51 H new ATOM 0 HA SER A -12 8.728 27.780 -27.481 1.00 20.97 H new ATOM 0 HB2 SER A -12 5.793 28.550 -27.782 1.00 21.18 H new ATOM 0 HB3 SER A -12 6.736 28.583 -26.305 1.00 21.18 H new ATOM 0 HG SER A -12 6.572 30.681 -27.289 1.00 21.36 H new ATOM 38 N SER A -11 6.939 25.582 -28.848 1.00 20.15 N ATOM 39 CA SER A -11 6.329 24.258 -28.770 1.00 19.73 C ATOM 40 C SER A -11 7.384 23.162 -28.594 1.00 19.37 C ATOM 41 O SER A -11 7.357 22.145 -29.288 1.00 19.50 O ATOM 42 CB SER A -11 5.506 23.995 -30.034 1.00 20.02 C ATOM 43 OG SER A -11 4.616 25.068 -30.292 1.00 20.19 O ATOM 0 H SER A -11 7.108 25.911 -29.798 1.00 20.15 H new ATOM 0 HA SER A -11 5.678 24.236 -27.896 1.00 19.73 H new ATOM 0 HB2 SER A -11 6.173 23.858 -30.885 1.00 20.02 H new ATOM 0 HB3 SER A -11 4.942 23.069 -29.919 1.00 20.02 H new ATOM 0 HG SER A -11 4.102 24.879 -31.105 1.00 20.19 H new ATOM 49 N HIS A -10 8.308 23.366 -27.663 1.00 19.05 N ATOM 50 CA HIS A -10 9.343 22.373 -27.386 1.00 18.80 C ATOM 51 C HIS A -10 9.968 22.590 -26.010 1.00 17.89 C ATOM 52 O HIS A -10 11.089 22.160 -25.749 1.00 17.81 O ATOM 53 CB HIS A -10 10.427 22.379 -28.477 1.00 19.29 C ATOM 54 CG HIS A -10 11.120 23.697 -28.678 1.00 20.11 C ATOM 55 ND1 HIS A -10 10.832 24.543 -29.723 1.00 20.55 N ATOM 56 CD2 HIS A -10 12.110 24.295 -27.974 1.00 20.68 C ATOM 57 CE1 HIS A -10 11.616 25.603 -29.656 1.00 21.33 C ATOM 58 NE2 HIS A -10 12.401 25.478 -28.604 1.00 21.42 N ATOM 0 H HIS A -10 8.363 24.207 -27.088 1.00 19.05 H new ATOM 0 HA HIS A -10 8.862 21.395 -27.389 1.00 18.80 H new ATOM 0 HB2 HIS A -10 11.175 21.627 -28.228 1.00 19.29 H new ATOM 0 HB3 HIS A -10 9.973 22.077 -29.421 1.00 19.29 H new ATOM 0 HD2 HIS A -10 12.583 23.912 -27.082 1.00 20.68 H new ATOM 0 HE1 HIS A -10 11.615 26.433 -30.347 1.00 21.33 H new ATOM 0 HE2 HIS A -10 13.108 26.150 -28.308 1.00 21.42 H new ATOM 67 N HIS A -9 9.230 23.243 -25.127 1.00 17.33 N ATOM 68 CA HIS A -9 9.709 23.495 -23.776 1.00 16.53 C ATOM 69 C HIS A -9 8.773 22.824 -22.778 1.00 15.50 C ATOM 70 O HIS A -9 8.107 23.481 -21.979 1.00 15.25 O ATOM 71 CB HIS A -9 9.816 25.006 -23.514 1.00 16.68 C ATOM 72 CG HIS A -9 10.449 25.366 -22.196 1.00 17.20 C ATOM 73 ND1 HIS A -9 11.809 25.497 -22.023 1.00 17.69 N ATOM 74 CD2 HIS A -9 9.894 25.627 -20.986 1.00 17.45 C ATOM 75 CE1 HIS A -9 12.063 25.821 -20.767 1.00 18.20 C ATOM 76 NE2 HIS A -9 10.918 25.905 -20.117 1.00 18.08 N ATOM 0 H HIS A -9 8.297 23.608 -25.320 1.00 17.33 H new ATOM 0 HA HIS A -9 10.707 23.073 -23.658 1.00 16.53 H new ATOM 0 HB2 HIS A -9 10.395 25.462 -24.318 1.00 16.68 H new ATOM 0 HB3 HIS A -9 8.817 25.441 -23.554 1.00 16.68 H new ATOM 0 HD2 HIS A -9 8.840 25.618 -20.750 1.00 17.45 H new ATOM 0 HE1 HIS A -9 13.043 25.989 -20.344 1.00 18.20 H new ATOM 0 HE2 HIS A -9 10.812 26.138 -19.130 1.00 18.08 H new ATOM 85 N HIS A -8 8.711 21.505 -22.844 1.00 15.05 N ATOM 86 CA HIS A -8 7.828 20.749 -21.973 1.00 14.17 C ATOM 87 C HIS A -8 8.514 19.490 -21.462 1.00 13.33 C ATOM 88 O HIS A -8 8.975 18.666 -22.251 1.00 13.18 O ATOM 89 CB HIS A -8 6.512 20.391 -22.692 1.00 14.48 C ATOM 90 CG HIS A -8 6.658 19.456 -23.861 1.00 15.02 C ATOM 91 ND1 HIS A -8 6.272 18.132 -23.817 1.00 15.53 N ATOM 92 CD2 HIS A -8 7.133 19.663 -25.112 1.00 15.28 C ATOM 93 CE1 HIS A -8 6.506 17.569 -24.987 1.00 16.06 C ATOM 94 NE2 HIS A -8 7.028 18.476 -25.790 1.00 15.93 N ATOM 0 H HIS A -8 9.260 20.937 -23.490 1.00 15.05 H new ATOM 0 HA HIS A -8 7.588 21.380 -21.117 1.00 14.17 H new ATOM 0 HB2 HIS A -8 5.832 19.941 -21.969 1.00 14.48 H new ATOM 0 HB3 HIS A -8 6.044 21.312 -23.039 1.00 14.48 H new ATOM 0 HD2 HIS A -8 7.522 20.591 -25.503 1.00 15.28 H new ATOM 0 HE1 HIS A -8 6.304 16.540 -25.244 1.00 16.06 H new ATOM 0 HE2 HIS A -8 7.308 18.320 -26.758 1.00 15.93 H new ATOM 103 N HIS A -7 8.612 19.385 -20.141 1.00 12.97 N ATOM 104 CA HIS A -7 9.053 18.164 -19.465 1.00 12.32 C ATOM 105 C HIS A -7 10.382 17.641 -20.015 1.00 11.63 C ATOM 106 O HIS A -7 10.408 16.706 -20.814 1.00 11.60 O ATOM 107 CB HIS A -7 7.969 17.091 -19.596 1.00 12.67 C ATOM 108 CG HIS A -7 8.170 15.913 -18.696 1.00 12.79 C ATOM 109 ND1 HIS A -7 8.692 14.714 -19.125 1.00 12.93 N ATOM 110 CD2 HIS A -7 7.904 15.754 -17.383 1.00 13.01 C ATOM 111 CE1 HIS A -7 8.734 13.869 -18.114 1.00 13.22 C ATOM 112 NE2 HIS A -7 8.263 14.477 -17.044 1.00 13.27 N ATOM 0 H HIS A -7 8.387 20.148 -19.503 1.00 12.97 H new ATOM 0 HA HIS A -7 9.216 18.405 -18.415 1.00 12.32 H new ATOM 0 HB2 HIS A -7 6.999 17.540 -19.380 1.00 12.67 H new ATOM 0 HB3 HIS A -7 7.937 16.745 -20.629 1.00 12.67 H new ATOM 0 HD2 HIS A -7 7.485 16.497 -16.721 1.00 13.01 H new ATOM 0 HE1 HIS A -7 9.093 12.851 -18.156 1.00 13.22 H new ATOM 0 HE2 HIS A -7 8.180 14.064 -16.115 1.00 13.27 H new ATOM 121 N HIS A -6 11.484 18.239 -19.587 1.00 11.27 N ATOM 122 CA HIS A -6 12.799 17.785 -20.019 1.00 10.81 C ATOM 123 C HIS A -6 13.593 17.207 -18.851 1.00 10.06 C ATOM 124 O HIS A -6 13.582 15.996 -18.638 1.00 10.07 O ATOM 125 CB HIS A -6 13.579 18.907 -20.705 1.00 11.05 C ATOM 126 CG HIS A -6 13.129 19.176 -22.109 1.00 11.45 C ATOM 127 ND1 HIS A -6 13.540 20.271 -22.834 1.00 11.75 N ATOM 128 CD2 HIS A -6 12.310 18.475 -22.925 1.00 11.82 C ATOM 129 CE1 HIS A -6 12.991 20.232 -24.032 1.00 12.27 C ATOM 130 NE2 HIS A -6 12.239 19.150 -24.116 1.00 12.33 N ATOM 0 H HIS A -6 11.496 19.033 -18.947 1.00 11.27 H new ATOM 0 HA HIS A -6 12.647 16.991 -20.750 1.00 10.81 H new ATOM 0 HB2 HIS A -6 13.478 19.820 -20.118 1.00 11.05 H new ATOM 0 HB3 HIS A -6 14.638 18.649 -20.714 1.00 11.05 H new ATOM 0 HD2 HIS A -6 11.804 17.552 -22.683 1.00 11.82 H new ATOM 0 HE1 HIS A -6 13.133 20.963 -24.814 1.00 12.27 H new ATOM 0 HE2 HIS A -6 11.696 18.864 -24.931 1.00 12.33 H new ATOM 139 N HIS A -5 14.271 18.060 -18.091 1.00 9.63 N ATOM 140 CA HIS A -5 15.032 17.591 -16.934 1.00 9.11 C ATOM 141 C HIS A -5 14.969 18.593 -15.789 1.00 8.16 C ATOM 142 O HIS A -5 15.748 18.517 -14.839 1.00 8.12 O ATOM 143 CB HIS A -5 16.496 17.289 -17.312 1.00 9.69 C ATOM 144 CG HIS A -5 17.285 18.468 -17.814 1.00 10.23 C ATOM 145 ND1 HIS A -5 17.697 18.597 -19.125 1.00 10.62 N ATOM 146 CD2 HIS A -5 17.762 19.559 -17.168 1.00 10.71 C ATOM 147 CE1 HIS A -5 18.393 19.712 -19.259 1.00 11.27 C ATOM 148 NE2 HIS A -5 18.445 20.314 -18.088 1.00 11.33 N ATOM 0 H HIS A -5 14.311 19.067 -18.250 1.00 9.63 H new ATOM 0 HA HIS A -5 14.572 16.662 -16.596 1.00 9.11 H new ATOM 0 HB2 HIS A -5 17.003 16.879 -16.438 1.00 9.69 H new ATOM 0 HB3 HIS A -5 16.504 16.514 -18.078 1.00 9.69 H new ATOM 0 HD2 HIS A -5 17.629 19.792 -16.122 1.00 10.71 H new ATOM 0 HE1 HIS A -5 18.843 20.069 -20.173 1.00 11.27 H new ATOM 0 HE2 HIS A -5 18.917 21.198 -17.896 1.00 11.33 H new ATOM 157 N SER A -4 14.043 19.531 -15.884 1.00 7.67 N ATOM 158 CA SER A -4 13.869 20.535 -14.848 1.00 6.97 C ATOM 159 C SER A -4 12.401 20.641 -14.462 1.00 6.27 C ATOM 160 O SER A -4 11.927 21.703 -14.057 1.00 6.26 O ATOM 161 CB SER A -4 14.391 21.886 -15.335 1.00 7.36 C ATOM 162 OG SER A -4 15.761 21.801 -15.693 1.00 7.95 O ATOM 0 H SER A -4 13.398 19.619 -16.670 1.00 7.67 H new ATOM 0 HA SER A -4 14.439 20.238 -13.968 1.00 6.97 H new ATOM 0 HB2 SER A -4 13.807 22.218 -16.193 1.00 7.36 H new ATOM 0 HB3 SER A -4 14.261 22.634 -14.553 1.00 7.36 H new ATOM 0 HG SER A -4 16.073 22.677 -16.003 1.00 7.95 H new ATOM 168 N SER A -3 11.689 19.533 -14.587 1.00 6.06 N ATOM 169 CA SER A -3 10.272 19.497 -14.276 1.00 5.84 C ATOM 170 C SER A -3 10.059 19.238 -12.786 1.00 5.11 C ATOM 171 O SER A -3 11.020 19.113 -12.026 1.00 5.39 O ATOM 172 CB SER A -3 9.590 18.426 -15.124 1.00 6.61 C ATOM 173 OG SER A -3 9.909 18.595 -16.496 1.00 7.36 O ATOM 0 H SER A -3 12.073 18.643 -14.904 1.00 6.06 H new ATOM 0 HA SER A -3 9.826 20.463 -14.511 1.00 5.84 H new ATOM 0 HB2 SER A -3 9.905 17.437 -14.791 1.00 6.61 H new ATOM 0 HB3 SER A -3 8.510 18.480 -14.987 1.00 6.61 H new ATOM 0 HG SER A -3 9.633 19.489 -16.788 1.00 7.36 H new ATOM 179 N GLY A -2 8.805 19.155 -12.374 1.00 4.57 N ATOM 180 CA GLY A -2 8.494 19.014 -10.967 1.00 4.26 C ATOM 181 C GLY A -2 8.209 20.358 -10.337 1.00 3.39 C ATOM 182 O GLY A -2 8.632 20.635 -9.217 1.00 3.57 O ATOM 0 H GLY A -2 7.993 19.183 -12.991 1.00 4.57 H new ATOM 0 HA2 GLY A -2 7.630 18.361 -10.846 1.00 4.26 H new ATOM 0 HA3 GLY A -2 9.328 18.537 -10.453 1.00 4.26 H new ATOM 186 N HIS A -1 7.497 21.202 -11.073 1.00 2.94 N ATOM 187 CA HIS A -1 7.198 22.555 -10.617 1.00 2.48 C ATOM 188 C HIS A -1 5.968 22.559 -9.721 1.00 1.95 C ATOM 189 O HIS A -1 5.953 23.206 -8.675 1.00 2.40 O ATOM 190 CB HIS A -1 6.975 23.496 -11.805 1.00 3.02 C ATOM 191 CG HIS A -1 8.146 23.589 -12.734 1.00 3.37 C ATOM 192 ND1 HIS A -1 8.015 23.739 -14.096 1.00 4.00 N ATOM 193 CD2 HIS A -1 9.477 23.546 -12.493 1.00 3.77 C ATOM 194 CE1 HIS A -1 9.210 23.782 -14.652 1.00 4.52 C ATOM 195 NE2 HIS A -1 10.117 23.665 -13.701 1.00 4.43 N ATOM 0 H HIS A -1 7.115 20.973 -11.991 1.00 2.94 H new ATOM 0 HA HIS A -1 8.055 22.911 -10.045 1.00 2.48 H new ATOM 0 HB2 HIS A -1 6.105 23.156 -12.366 1.00 3.02 H new ATOM 0 HB3 HIS A -1 6.743 24.492 -11.428 1.00 3.02 H new ATOM 0 HD2 HIS A -1 9.949 23.438 -11.527 1.00 3.77 H new ATOM 0 HE1 HIS A -1 9.412 23.894 -15.707 1.00 4.52 H new ATOM 0 HE2 HIS A -1 11.127 23.663 -13.841 1.00 4.43 H new ATOM 204 N MET A 0 4.944 21.829 -10.133 1.00 1.39 N ATOM 205 CA MET A 0 3.702 21.762 -9.379 1.00 1.16 C ATOM 206 C MET A 0 3.014 20.430 -9.626 1.00 1.03 C ATOM 207 O MET A 0 2.441 20.205 -10.694 1.00 1.08 O ATOM 208 CB MET A 0 2.769 22.917 -9.763 1.00 1.34 C ATOM 209 CG MET A 0 1.427 22.910 -9.033 1.00 1.63 C ATOM 210 SD MET A 0 1.453 23.751 -7.427 1.00 2.00 S ATOM 211 CE MET A 0 2.475 22.661 -6.435 1.00 1.61 C ATOM 0 H MET A 0 4.948 21.273 -10.988 1.00 1.39 H new ATOM 0 HA MET A 0 3.938 21.850 -8.319 1.00 1.16 H new ATOM 0 HB2 MET A 0 3.275 23.861 -9.559 1.00 1.34 H new ATOM 0 HB3 MET A 0 2.586 22.879 -10.837 1.00 1.34 H new ATOM 0 HG2 MET A 0 0.678 23.384 -9.667 1.00 1.63 H new ATOM 0 HG3 MET A 0 1.111 21.877 -8.885 1.00 1.63 H new ATOM 0 HE1 MET A 0 2.288 22.850 -5.378 1.00 1.61 H new ATOM 0 HE2 MET A 0 2.232 21.624 -6.667 1.00 1.61 H new ATOM 0 HE3 MET A 0 3.526 22.846 -6.657 1.00 1.61 H new ATOM 221 N PHE A 1 3.109 19.554 -8.633 1.00 1.03 N ATOM 222 CA PHE A 1 2.504 18.233 -8.673 1.00 1.07 C ATOM 223 C PHE A 1 1.037 18.301 -9.096 1.00 0.89 C ATOM 224 O PHE A 1 0.189 18.798 -8.369 1.00 0.81 O ATOM 225 CB PHE A 1 2.672 17.596 -7.287 1.00 1.39 C ATOM 226 CG PHE A 1 1.973 16.284 -7.070 1.00 0.93 C ATOM 227 CD1 PHE A 1 0.669 16.236 -6.605 1.00 1.11 C ATOM 228 CD2 PHE A 1 2.615 15.097 -7.365 1.00 1.15 C ATOM 229 CE1 PHE A 1 0.024 15.029 -6.434 1.00 1.14 C ATOM 230 CE2 PHE A 1 1.977 13.886 -7.195 1.00 1.47 C ATOM 231 CZ PHE A 1 0.686 13.869 -6.610 1.00 1.31 C ATOM 0 H PHE A 1 3.615 19.746 -7.768 1.00 1.03 H new ATOM 0 HA PHE A 1 3.001 17.617 -9.422 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.737 17.451 -7.103 1.00 1.39 H new ATOM 0 HB3 PHE A 1 2.313 18.303 -6.539 1.00 1.39 H new ATOM 0 HD1 PHE A 1 0.151 17.155 -6.374 1.00 1.11 H new ATOM 0 HD2 PHE A 1 3.630 15.117 -7.734 1.00 1.15 H new ATOM 0 HE1 PHE A 1 -1.020 15.014 -6.157 1.00 1.14 H new ATOM 0 HE2 PHE A 1 2.453 12.967 -7.502 1.00 1.47 H new ATOM 0 HZ PHE A 1 0.237 12.934 -6.308 1.00 1.31 H new ATOM 241 N LYS A 2 0.763 17.813 -10.292 1.00 0.96 N ATOM 242 CA LYS A 2 -0.602 17.780 -10.838 1.00 0.98 C ATOM 243 C LYS A 2 -1.158 16.375 -10.727 1.00 1.01 C ATOM 244 O LYS A 2 -1.842 15.884 -11.626 1.00 1.42 O ATOM 245 CB LYS A 2 -0.595 18.210 -12.309 1.00 1.14 C ATOM 246 CG LYS A 2 0.351 17.399 -13.188 1.00 1.62 C ATOM 247 CD LYS A 2 0.341 17.875 -14.640 1.00 2.02 C ATOM 248 CE LYS A 2 1.129 19.168 -14.844 1.00 2.67 C ATOM 249 NZ LYS A 2 0.440 20.367 -14.289 1.00 3.15 N ATOM 0 H LYS A 2 1.470 17.427 -10.918 1.00 0.96 H new ATOM 0 HA LYS A 2 -1.226 18.469 -10.269 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -1.606 18.125 -12.707 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -0.317 19.262 -12.368 1.00 1.14 H new ATOM 0 HG2 LYS A 2 1.364 17.470 -12.791 1.00 1.62 H new ATOM 0 HG3 LYS A 2 0.067 16.347 -13.150 1.00 1.62 H new ATOM 0 HD2 LYS A 2 0.760 17.095 -15.276 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -0.690 18.028 -14.960 1.00 2.02 H new ATOM 0 HE2 LYS A 2 2.107 19.068 -14.373 1.00 2.67 H new ATOM 0 HE3 LYS A 2 1.302 19.317 -15.910 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 0.602 21.181 -14.915 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -0.581 20.180 -14.221 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 0.817 20.577 -13.343 1.00 3.15 H new ATOM 263 N TYR A 3 -0.836 15.733 -9.611 1.00 0.91 N ATOM 264 CA TYR A 3 -0.883 14.283 -9.511 1.00 0.94 C ATOM 265 C TYR A 3 0.044 13.730 -10.590 1.00 1.01 C ATOM 266 O TYR A 3 -0.084 12.595 -11.045 1.00 0.90 O ATOM 267 CB TYR A 3 -2.312 13.738 -9.638 1.00 1.02 C ATOM 268 CG TYR A 3 -2.519 12.449 -8.878 1.00 1.12 C ATOM 269 CD1 TYR A 3 -1.447 11.625 -8.567 1.00 1.31 C ATOM 270 CD2 TYR A 3 -3.791 12.054 -8.483 1.00 1.36 C ATOM 271 CE1 TYR A 3 -1.635 10.441 -7.881 1.00 1.62 C ATOM 272 CE2 TYR A 3 -3.988 10.870 -7.797 1.00 1.78 C ATOM 273 CZ TYR A 3 -2.893 10.087 -7.462 1.00 1.87 C ATOM 274 OH TYR A 3 -3.098 8.888 -6.815 1.00 2.35 O ATOM 0 H TYR A 3 -0.537 16.201 -8.755 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.548 13.962 -8.525 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -3.015 14.487 -9.272 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -2.541 13.574 -10.691 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -0.450 11.914 -8.866 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -4.639 12.681 -8.715 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -0.794 9.795 -7.675 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -4.985 10.558 -7.524 1.00 1.78 H new ATOM 0 HH TYR A 3 -2.289 8.641 -6.320 1.00 2.35 H new ATOM 284 N GLU A 4 0.963 14.617 -10.982 1.00 1.38 N ATOM 285 CA GLU A 4 2.014 14.395 -11.963 1.00 1.74 C ATOM 286 C GLU A 4 1.595 13.608 -13.184 1.00 1.24 C ATOM 287 O GLU A 4 2.440 12.967 -13.814 1.00 1.52 O ATOM 288 CB GLU A 4 3.211 13.751 -11.291 1.00 2.44 C ATOM 289 CG GLU A 4 3.872 14.697 -10.320 1.00 3.05 C ATOM 290 CD GLU A 4 4.270 15.995 -10.993 1.00 3.65 C ATOM 291 OE1 GLU A 4 3.427 16.919 -11.051 1.00 3.95 O ATOM 292 OE2 GLU A 4 5.409 16.090 -11.490 1.00 4.16 O ATOM 0 H GLU A 4 0.990 15.561 -10.598 1.00 1.38 H new ATOM 0 HA GLU A 4 2.275 15.381 -12.348 1.00 1.74 H new ATOM 0 HB2 GLU A 4 2.894 12.850 -10.765 1.00 2.44 H new ATOM 0 HB3 GLU A 4 3.932 13.441 -12.048 1.00 2.44 H new ATOM 0 HG2 GLU A 4 3.191 14.907 -9.495 1.00 3.05 H new ATOM 0 HG3 GLU A 4 4.755 14.222 -9.892 1.00 3.05 H new ATOM 299 N ASP A 5 0.311 13.697 -13.553 1.00 0.71 N ATOM 300 CA ASP A 5 -0.218 12.893 -14.660 1.00 0.73 C ATOM 301 C ASP A 5 0.303 11.448 -14.581 1.00 0.72 C ATOM 302 O ASP A 5 0.548 10.800 -15.602 1.00 0.90 O ATOM 303 CB ASP A 5 0.182 13.531 -15.995 1.00 1.07 C ATOM 304 CG ASP A 5 -0.519 12.891 -17.179 1.00 1.83 C ATOM 305 OD1 ASP A 5 -1.717 12.551 -17.058 1.00 2.15 O ATOM 306 OD2 ASP A 5 0.124 12.741 -18.240 1.00 2.57 O ATOM 0 H ASP A 5 -0.372 14.309 -13.108 1.00 0.71 H new ATOM 0 HA ASP A 5 -1.305 12.865 -14.586 1.00 0.73 H new ATOM 0 HB2 ASP A 5 -0.053 14.595 -15.970 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.261 13.445 -16.126 1.00 1.07 H new ATOM 311 N ILE A 6 0.479 10.958 -13.351 1.00 0.58 N ATOM 312 CA ILE A 6 1.075 9.650 -13.095 1.00 0.55 C ATOM 313 C ILE A 6 0.363 8.553 -13.874 1.00 0.54 C ATOM 314 O ILE A 6 -0.867 8.533 -13.935 1.00 0.58 O ATOM 315 CB ILE A 6 1.038 9.334 -11.578 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.882 10.363 -10.817 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.532 7.922 -11.288 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.772 10.259 -9.311 1.00 0.69 C ATOM 0 H ILE A 6 0.211 11.460 -12.505 1.00 0.58 H new ATOM 0 HA ILE A 6 2.111 9.683 -13.431 1.00 0.55 H new ATOM 0 HB ILE A 6 0.003 9.393 -11.242 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.927 10.243 -11.103 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.580 11.364 -11.125 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.492 7.736 -10.215 1.00 0.56 H new ATOM 0 HG22 ILE A 6 0.898 7.201 -11.805 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.560 7.817 -11.636 1.00 0.56 H new ATOM 0 HD11 ILE A 6 2.398 11.021 -8.847 1.00 0.69 H new ATOM 0 HD12 ILE A 6 0.735 10.410 -9.011 1.00 0.69 H new ATOM 0 HD13 ILE A 6 2.103 9.272 -8.989 1.00 0.69 H new ATOM 325 N PRO A 7 1.150 7.660 -14.515 1.00 0.53 N ATOM 326 CA PRO A 7 0.643 6.520 -15.272 1.00 0.55 C ATOM 327 C PRO A 7 -0.593 5.900 -14.641 1.00 0.53 C ATOM 328 O PRO A 7 -0.528 5.322 -13.551 1.00 0.52 O ATOM 329 CB PRO A 7 1.814 5.548 -15.225 1.00 0.55 C ATOM 330 CG PRO A 7 3.018 6.426 -15.250 1.00 0.60 C ATOM 331 CD PRO A 7 2.628 7.710 -14.558 1.00 0.54 C ATOM 0 HA PRO A 7 0.327 6.796 -16.278 1.00 0.55 H new ATOM 0 HB2 PRO A 7 1.787 4.935 -14.324 1.00 0.55 H new ATOM 0 HB3 PRO A 7 1.800 4.866 -16.075 1.00 0.55 H new ATOM 0 HG2 PRO A 7 3.856 5.950 -14.740 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.336 6.619 -16.275 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.054 7.769 -13.557 1.00 0.54 H new ATOM 0 HD3 PRO A 7 2.982 8.583 -15.107 1.00 0.54 H new ATOM 339 N ALA A 8 -1.713 6.025 -15.336 1.00 0.55 N ATOM 340 CA ALA A 8 -2.991 5.554 -14.833 1.00 0.54 C ATOM 341 C ALA A 8 -2.984 4.045 -14.638 1.00 0.55 C ATOM 342 O ALA A 8 -3.841 3.502 -13.939 1.00 0.56 O ATOM 343 CB ALA A 8 -4.110 5.965 -15.776 1.00 0.57 C ATOM 0 H ALA A 8 -1.760 6.454 -16.260 1.00 0.55 H new ATOM 0 HA ALA A 8 -3.163 6.014 -13.860 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -5.063 5.606 -15.388 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -4.137 7.052 -15.857 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.933 5.532 -16.761 1.00 0.57 H new ATOM 349 N ASP A 9 -2.002 3.377 -15.236 1.00 0.55 N ATOM 350 CA ASP A 9 -1.882 1.935 -15.099 1.00 0.57 C ATOM 351 C ASP A 9 -1.535 1.604 -13.654 1.00 0.54 C ATOM 352 O ASP A 9 -1.956 0.597 -13.094 1.00 0.55 O ATOM 353 CB ASP A 9 -0.782 1.398 -16.020 1.00 0.61 C ATOM 354 CG ASP A 9 -0.962 1.811 -17.466 1.00 0.93 C ATOM 355 OD1 ASP A 9 -0.455 2.887 -17.851 1.00 1.37 O ATOM 356 OD2 ASP A 9 -1.623 1.066 -18.226 1.00 1.33 O ATOM 0 H ASP A 9 -1.284 3.811 -15.816 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.828 1.470 -15.377 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.186 1.753 -15.665 1.00 0.61 H new ATOM 0 HB3 ASP A 9 -0.765 0.310 -15.959 1.00 0.61 H new ATOM 361 N TYR A 10 -0.751 2.511 -13.073 1.00 0.52 N ATOM 362 CA TYR A 10 -0.215 2.365 -11.730 1.00 0.50 C ATOM 363 C TYR A 10 -1.174 2.937 -10.690 1.00 0.49 C ATOM 364 O TYR A 10 -1.262 2.428 -9.573 1.00 0.51 O ATOM 365 CB TYR A 10 1.151 3.063 -11.655 1.00 0.52 C ATOM 366 CG TYR A 10 1.666 3.317 -10.253 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.017 2.269 -9.412 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.806 4.614 -9.776 1.00 0.59 C ATOM 369 CE1 TYR A 10 2.492 2.508 -8.135 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.282 4.860 -8.504 1.00 0.66 C ATOM 371 CZ TYR A 10 2.623 3.805 -7.687 1.00 0.70 C ATOM 372 OH TYR A 10 3.099 4.048 -6.417 1.00 0.80 O ATOM 0 H TYR A 10 -0.469 3.377 -13.532 1.00 0.52 H new ATOM 0 HA TYR A 10 -0.092 1.305 -11.509 1.00 0.50 H new ATOM 0 HB2 TYR A 10 1.882 2.456 -12.190 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.084 4.016 -12.179 1.00 0.52 H new ATOM 0 HD1 TYR A 10 1.918 1.252 -9.760 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.538 5.445 -10.412 1.00 0.59 H new ATOM 0 HE1 TYR A 10 2.759 1.682 -7.492 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.387 5.875 -8.151 1.00 0.66 H new ATOM 0 HH TYR A 10 3.821 4.709 -6.459 1.00 0.80 H new ATOM 382 N ARG A 11 -1.900 3.992 -11.053 1.00 0.48 N ATOM 383 CA ARG A 11 -2.869 4.574 -10.129 1.00 0.49 C ATOM 384 C ARG A 11 -4.021 3.599 -9.930 1.00 0.50 C ATOM 385 O ARG A 11 -4.662 3.576 -8.883 1.00 0.54 O ATOM 386 CB ARG A 11 -3.379 5.928 -10.629 1.00 0.51 C ATOM 387 CG ARG A 11 -2.287 6.977 -10.777 1.00 0.48 C ATOM 388 CD ARG A 11 -2.860 8.360 -11.054 1.00 0.60 C ATOM 389 NE ARG A 11 -3.647 8.400 -12.286 1.00 0.88 N ATOM 390 CZ ARG A 11 -3.739 9.469 -13.078 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.094 10.589 -12.771 1.00 1.61 N ATOM 392 NH2 ARG A 11 -4.480 9.420 -14.176 1.00 1.73 N ATOM 0 H ARG A 11 -1.839 4.453 -11.961 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.377 4.752 -9.173 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.869 5.788 -11.593 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.135 6.299 -9.938 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.688 7.008 -9.867 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.618 6.692 -11.589 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.486 8.666 -10.216 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.045 9.081 -11.123 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.157 7.559 -12.556 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.525 10.634 -11.926 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.168 11.404 -13.380 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -4.980 8.564 -14.416 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -4.550 10.238 -14.781 1.00 1.73 H new ATOM 406 N ASP A 12 -4.253 2.784 -10.951 1.00 0.48 N ATOM 407 CA ASP A 12 -5.201 1.678 -10.881 1.00 0.50 C ATOM 408 C ASP A 12 -4.807 0.703 -9.777 1.00 0.52 C ATOM 409 O ASP A 12 -5.663 0.144 -9.087 1.00 0.62 O ATOM 410 CB ASP A 12 -5.227 0.936 -12.216 1.00 0.51 C ATOM 411 CG ASP A 12 -6.366 -0.062 -12.293 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.505 0.352 -12.606 1.00 1.02 O ATOM 413 OD2 ASP A 12 -6.131 -1.262 -12.059 1.00 0.99 O ATOM 0 H ASP A 12 -3.788 2.871 -11.854 1.00 0.48 H new ATOM 0 HA ASP A 12 -6.188 2.084 -10.662 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -5.321 1.656 -13.029 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.280 0.416 -12.360 1.00 0.51 H new ATOM 418 N LEU A 13 -3.501 0.522 -9.609 1.00 0.50 N ATOM 419 CA LEU A 13 -2.968 -0.406 -8.619 1.00 0.53 C ATOM 420 C LEU A 13 -3.084 0.188 -7.218 1.00 0.62 C ATOM 421 O LEU A 13 -3.337 -0.524 -6.248 1.00 0.93 O ATOM 422 CB LEU A 13 -1.495 -0.726 -8.910 1.00 0.49 C ATOM 423 CG LEU A 13 -1.159 -1.098 -10.359 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.328 -1.401 -10.499 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.989 -2.284 -10.826 1.00 0.88 C ATOM 0 H LEU A 13 -2.788 1.010 -10.151 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.551 -1.326 -8.675 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.894 0.139 -8.630 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -1.189 -1.549 -8.265 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.403 -0.245 -10.992 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.550 -1.663 -11.533 1.00 0.78 H new ATOM 0 HD12 LEU A 13 0.907 -0.522 -10.215 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.592 -2.235 -9.849 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.730 -2.526 -11.857 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.785 -3.145 -10.189 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -3.048 -2.033 -10.767 1.00 0.88 H new ATOM 437 N MET A 14 -2.895 1.501 -7.127 1.00 0.55 N ATOM 438 CA MET A 14 -2.938 2.198 -5.848 1.00 0.64 C ATOM 439 C MET A 14 -4.341 2.195 -5.261 1.00 0.55 C ATOM 440 O MET A 14 -5.316 2.481 -5.954 1.00 0.53 O ATOM 441 CB MET A 14 -2.452 3.642 -5.989 1.00 0.82 C ATOM 442 CG MET A 14 -0.954 3.770 -6.178 1.00 0.97 C ATOM 443 SD MET A 14 -0.377 5.466 -5.960 1.00 1.15 S ATOM 444 CE MET A 14 -1.148 6.287 -7.351 1.00 1.04 C ATOM 0 H MET A 14 -2.710 2.105 -7.928 1.00 0.55 H new ATOM 0 HA MET A 14 -2.272 1.662 -5.172 1.00 0.64 H new ATOM 0 HB2 MET A 14 -2.956 4.103 -6.838 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.745 4.202 -5.101 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.444 3.121 -5.466 1.00 0.97 H new ATOM 0 HG3 MET A 14 -0.685 3.423 -7.176 1.00 0.97 H new ATOM 0 HE1 MET A 14 -0.908 7.350 -7.325 1.00 1.04 H new ATOM 0 HE2 MET A 14 -0.777 5.854 -8.280 1.00 1.04 H new ATOM 0 HE3 MET A 14 -2.229 6.157 -7.297 1.00 1.04 H new ATOM 454 N PRO A 15 -4.457 1.875 -3.967 1.00 0.62 N ATOM 455 CA PRO A 15 -5.739 1.867 -3.272 1.00 0.67 C ATOM 456 C PRO A 15 -6.213 3.280 -2.923 1.00 0.59 C ATOM 457 O PRO A 15 -5.422 4.228 -2.980 1.00 0.57 O ATOM 458 CB PRO A 15 -5.437 1.064 -2.005 1.00 0.88 C ATOM 459 CG PRO A 15 -3.995 1.316 -1.735 1.00 0.90 C ATOM 460 CD PRO A 15 -3.341 1.487 -3.082 1.00 0.74 C ATOM 0 HA PRO A 15 -6.541 1.445 -3.878 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -6.059 1.390 -1.171 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.633 0.002 -2.153 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -3.863 2.208 -1.122 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.550 0.485 -1.188 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.566 2.253 -3.056 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.867 0.564 -3.417 1.00 0.74 H new ATOM 468 N PRO A 16 -7.503 3.451 -2.588 1.00 0.65 N ATOM 469 CA PRO A 16 -8.076 4.759 -2.248 1.00 0.70 C ATOM 470 C PRO A 16 -7.203 5.569 -1.286 1.00 0.71 C ATOM 471 O PRO A 16 -6.963 6.753 -1.513 1.00 0.74 O ATOM 472 CB PRO A 16 -9.405 4.397 -1.592 1.00 0.85 C ATOM 473 CG PRO A 16 -9.799 3.117 -2.243 1.00 0.96 C ATOM 474 CD PRO A 16 -8.516 2.380 -2.521 1.00 0.76 C ATOM 0 HA PRO A 16 -8.171 5.396 -3.127 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.297 4.278 -0.514 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.153 5.173 -1.754 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.451 2.533 -1.593 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.350 3.302 -3.165 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.288 1.662 -1.733 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.570 1.821 -3.455 1.00 0.76 H new ATOM 482 N GLU A 17 -6.684 4.918 -0.249 1.00 0.78 N ATOM 483 CA GLU A 17 -5.891 5.609 0.772 1.00 0.89 C ATOM 484 C GLU A 17 -4.508 6.034 0.262 1.00 0.84 C ATOM 485 O GLU A 17 -3.654 6.467 1.042 1.00 1.13 O ATOM 486 CB GLU A 17 -5.746 4.763 2.043 1.00 1.09 C ATOM 487 CG GLU A 17 -5.529 3.286 1.786 1.00 1.48 C ATOM 488 CD GLU A 17 -6.827 2.539 1.566 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.528 2.249 2.557 1.00 1.83 O ATOM 490 OE2 GLU A 17 -7.165 2.261 0.401 1.00 1.65 O ATOM 0 H GLU A 17 -6.796 3.917 -0.091 1.00 0.78 H new ATOM 0 HA GLU A 17 -6.444 6.516 1.015 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -4.909 5.145 2.627 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -6.642 4.886 2.652 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -4.890 3.163 0.912 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -5.000 2.847 2.632 1.00 1.48 H new ATOM 497 N ALA A 18 -4.279 5.907 -1.036 1.00 0.72 N ATOM 498 CA ALA A 18 -3.062 6.420 -1.645 1.00 0.73 C ATOM 499 C ALA A 18 -3.391 7.365 -2.796 1.00 0.62 C ATOM 500 O ALA A 18 -2.574 8.203 -3.180 1.00 0.72 O ATOM 501 CB ALA A 18 -2.183 5.274 -2.125 1.00 0.82 C ATOM 0 H ALA A 18 -4.920 5.453 -1.687 1.00 0.72 H new ATOM 0 HA ALA A 18 -2.512 6.983 -0.891 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.277 5.676 -2.578 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -1.916 4.641 -1.279 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.726 4.683 -2.863 1.00 0.82 H new ATOM 507 N ARG A 19 -4.594 7.227 -3.337 1.00 0.52 N ATOM 508 CA ARG A 19 -5.042 8.082 -4.429 1.00 0.49 C ATOM 509 C ARG A 19 -5.778 9.300 -3.889 1.00 0.50 C ATOM 510 O ARG A 19 -5.541 10.421 -4.332 1.00 0.52 O ATOM 511 CB ARG A 19 -5.962 7.310 -5.379 1.00 0.52 C ATOM 512 CG ARG A 19 -5.306 6.100 -6.020 1.00 0.64 C ATOM 513 CD ARG A 19 -6.252 5.384 -6.970 1.00 0.72 C ATOM 514 NE ARG A 19 -6.595 6.203 -8.134 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.210 5.735 -9.220 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.524 4.447 -9.312 1.00 1.46 N ATOM 517 NH2 ARG A 19 -7.494 6.553 -10.222 1.00 2.16 N ATOM 0 H ARG A 19 -5.277 6.531 -3.038 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.160 8.412 -4.978 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -6.845 6.984 -4.829 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.306 7.984 -6.164 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.415 6.414 -6.563 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -4.979 5.409 -5.243 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -5.792 4.454 -7.305 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.164 5.114 -6.437 1.00 0.72 H new ATOM 0 HE ARG A 19 -6.348 7.192 -8.113 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.294 3.810 -8.549 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.995 4.095 -10.146 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -7.242 7.540 -10.162 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -7.965 6.196 -11.054 1.00 2.16 H new ATOM 531 N ASP A 20 -6.658 9.056 -2.917 1.00 0.53 N ATOM 532 CA ASP A 20 -7.510 10.099 -2.338 1.00 0.57 C ATOM 533 C ASP A 20 -6.692 11.317 -1.931 1.00 0.56 C ATOM 534 O ASP A 20 -7.013 12.434 -2.311 1.00 0.57 O ATOM 535 CB ASP A 20 -8.271 9.557 -1.127 1.00 0.63 C ATOM 536 CG ASP A 20 -9.415 10.459 -0.703 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.524 10.334 -1.259 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.204 11.316 0.181 1.00 0.98 O ATOM 0 H ASP A 20 -6.801 8.132 -2.509 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.224 10.405 -3.102 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -8.662 8.567 -1.362 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.580 9.437 -0.293 1.00 0.63 H new ATOM 543 N PHE A 21 -5.626 11.084 -1.174 1.00 0.57 N ATOM 544 CA PHE A 21 -4.731 12.156 -0.734 1.00 0.57 C ATOM 545 C PHE A 21 -4.244 13.006 -1.907 1.00 0.55 C ATOM 546 O PHE A 21 -4.543 14.193 -1.961 1.00 0.64 O ATOM 547 CB PHE A 21 -3.538 11.582 0.037 1.00 0.60 C ATOM 548 CG PHE A 21 -2.727 12.626 0.756 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.266 13.323 1.828 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.433 12.917 0.356 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.527 14.288 2.485 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.691 13.884 1.009 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.237 14.570 2.074 1.00 0.63 C ATOM 0 H PHE A 21 -5.356 10.156 -0.848 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.303 12.804 -0.070 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -3.901 10.853 0.762 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -2.891 11.046 -0.657 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.274 13.109 2.152 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -0.999 12.382 -0.476 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -2.957 14.822 3.320 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.316 14.102 0.685 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.659 15.325 2.585 1.00 0.63 H new ATOM 563 N LEU A 22 -3.527 12.430 -2.850 1.00 0.56 N ATOM 564 CA LEU A 22 -2.959 13.230 -3.938 1.00 0.55 C ATOM 565 C LEU A 22 -4.042 13.642 -4.942 1.00 0.54 C ATOM 566 O LEU A 22 -3.781 14.426 -5.855 1.00 0.57 O ATOM 567 CB LEU A 22 -1.821 12.481 -4.633 1.00 0.56 C ATOM 568 CG LEU A 22 -0.851 11.754 -3.696 1.00 0.65 C ATOM 569 CD1 LEU A 22 0.071 10.838 -4.486 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.041 12.754 -2.893 1.00 1.13 C ATOM 0 H LEU A 22 -3.321 11.432 -2.894 1.00 0.56 H new ATOM 0 HA LEU A 22 -2.544 14.139 -3.503 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.253 11.753 -5.319 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -1.255 13.191 -5.236 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.433 11.144 -3.005 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.752 10.331 -3.803 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.523 10.098 -5.022 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.646 11.428 -5.200 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.643 12.221 -2.232 1.00 1.13 H new ATOM 0 HD22 LEU A 22 0.530 13.388 -3.571 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -0.713 13.372 -2.297 1.00 1.13 H new ATOM 582 N GLN A 23 -5.243 13.122 -4.774 1.00 0.52 N ATOM 583 CA GLN A 23 -6.425 13.686 -5.409 1.00 0.52 C ATOM 584 C GLN A 23 -6.863 14.976 -4.696 1.00 0.53 C ATOM 585 O GLN A 23 -7.205 15.974 -5.335 1.00 0.54 O ATOM 586 CB GLN A 23 -7.554 12.661 -5.344 1.00 0.53 C ATOM 587 CG GLN A 23 -8.833 13.106 -6.024 1.00 0.78 C ATOM 588 CD GLN A 23 -8.676 13.319 -7.518 1.00 1.38 C ATOM 589 OE1 GLN A 23 -7.810 12.540 -8.150 1.00 2.05 O flip ATOM 590 NE2 GLN A 23 -9.349 14.163 -8.108 1.00 2.06 N flip ATOM 0 H GLN A 23 -5.429 12.301 -4.197 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.191 13.928 -6.446 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.215 11.733 -5.804 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -7.769 12.439 -4.299 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.608 12.359 -5.850 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.176 14.034 -5.566 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -10.006 14.745 -7.589 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -9.250 14.280 -9.116 1.00 2.06 H new ATOM 599 N ASN A 24 -6.842 14.933 -3.365 1.00 0.58 N ATOM 600 CA ASN A 24 -7.278 16.047 -2.512 1.00 0.65 C ATOM 601 C ASN A 24 -6.386 17.264 -2.673 1.00 0.60 C ATOM 602 O ASN A 24 -6.881 18.382 -2.812 1.00 0.63 O ATOM 603 CB ASN A 24 -7.289 15.630 -1.038 1.00 0.85 C ATOM 604 CG ASN A 24 -8.281 14.522 -0.748 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.316 14.403 -1.409 1.00 1.84 O ATOM 606 ND2 ASN A 24 -7.979 13.707 0.250 1.00 1.21 N ATOM 0 H ASN A 24 -6.520 14.120 -2.840 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.287 16.310 -2.829 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.290 15.301 -0.751 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.529 16.497 -0.422 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -8.612 12.947 0.497 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -7.113 13.839 0.772 1.00 1.21 H new ATOM 613 N LEU A 25 -5.079 17.048 -2.624 1.00 0.60 N ATOM 614 CA LEU A 25 -4.120 18.120 -2.827 1.00 0.65 C ATOM 615 C LEU A 25 -4.403 18.846 -4.136 1.00 0.64 C ATOM 616 O LEU A 25 -4.611 18.229 -5.182 1.00 0.64 O ATOM 617 CB LEU A 25 -2.691 17.570 -2.820 1.00 0.76 C ATOM 618 CG LEU A 25 -2.097 17.219 -1.456 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.901 18.467 -0.643 1.00 0.81 C ATOM 620 CD2 LEU A 25 -2.955 16.239 -0.684 1.00 1.05 C ATOM 0 H LEU A 25 -4.659 16.136 -2.445 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.220 18.831 -2.007 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.668 16.675 -3.442 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -2.041 18.305 -3.295 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.137 16.738 -1.641 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.477 18.207 0.327 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.222 19.140 -1.167 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.861 18.962 -0.498 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.487 16.024 0.277 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -3.942 16.671 -0.518 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.055 15.315 -1.254 1.00 1.05 H new ATOM 632 N SER A 26 -4.411 20.171 -4.052 1.00 0.73 N ATOM 633 CA SER A 26 -4.806 21.009 -5.174 1.00 0.83 C ATOM 634 C SER A 26 -3.640 21.847 -5.705 1.00 1.02 C ATOM 635 O SER A 26 -3.113 21.560 -6.778 1.00 1.78 O ATOM 636 CB SER A 26 -5.979 21.899 -4.760 1.00 0.93 C ATOM 637 OG SER A 26 -5.833 22.331 -3.416 1.00 1.72 O ATOM 0 H SER A 26 -4.147 20.689 -3.214 1.00 0.73 H new ATOM 0 HA SER A 26 -5.119 20.359 -5.991 1.00 0.83 H new ATOM 0 HB2 SER A 26 -6.036 22.764 -5.421 1.00 0.93 H new ATOM 0 HB3 SER A 26 -6.914 21.351 -4.871 1.00 0.93 H new ATOM 0 HG SER A 26 -6.592 22.900 -3.171 1.00 1.72 H new ATOM 643 N ASP A 27 -3.221 22.867 -4.961 1.00 0.96 N ATOM 644 CA ASP A 27 -2.137 23.733 -5.426 1.00 1.11 C ATOM 645 C ASP A 27 -1.189 24.113 -4.292 1.00 1.13 C ATOM 646 O ASP A 27 -0.150 23.478 -4.106 1.00 1.95 O ATOM 647 CB ASP A 27 -2.688 25.006 -6.081 1.00 1.42 C ATOM 648 CG ASP A 27 -3.365 24.746 -7.412 1.00 1.84 C ATOM 649 OD1 ASP A 27 -2.657 24.664 -8.441 1.00 2.39 O ATOM 650 OD2 ASP A 27 -4.608 24.604 -7.439 1.00 2.19 O ATOM 0 H ASP A 27 -3.606 23.113 -4.049 1.00 0.96 H new ATOM 0 HA ASP A 27 -1.577 23.163 -6.167 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -3.401 25.476 -5.404 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -1.872 25.714 -6.227 1.00 1.42 H new ATOM 655 N GLY A 28 -1.563 25.133 -3.527 1.00 0.93 N ATOM 656 CA GLY A 28 -0.690 25.666 -2.491 1.00 0.87 C ATOM 657 C GLY A 28 -0.334 24.651 -1.423 1.00 0.75 C ATOM 658 O GLY A 28 0.750 24.705 -0.842 1.00 0.73 O ATOM 0 H GLY A 28 -2.463 25.606 -3.606 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.227 26.034 -2.952 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.176 26.521 -2.021 1.00 0.87 H new ATOM 662 N ASP A 29 -1.236 23.712 -1.177 1.00 0.70 N ATOM 663 CA ASP A 29 -1.029 22.689 -0.153 1.00 0.67 C ATOM 664 C ASP A 29 -0.022 21.647 -0.615 1.00 0.59 C ATOM 665 O ASP A 29 0.376 20.780 0.148 1.00 0.60 O ATOM 666 CB ASP A 29 -2.354 22.004 0.201 1.00 0.80 C ATOM 667 CG ASP A 29 -3.346 22.942 0.858 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.084 23.407 1.990 1.00 1.74 O ATOM 669 OD2 ASP A 29 -4.401 23.214 0.248 1.00 2.25 O ATOM 0 H ASP A 29 -2.124 23.634 -1.673 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.635 23.185 0.734 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.797 21.591 -0.705 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -2.157 21.166 0.869 1.00 0.80 H new ATOM 674 N LYS A 30 0.391 21.730 -1.868 1.00 0.63 N ATOM 675 CA LYS A 30 1.412 20.833 -2.385 1.00 0.65 C ATOM 676 C LYS A 30 2.792 21.436 -2.161 1.00 0.61 C ATOM 677 O LYS A 30 3.793 20.725 -2.077 1.00 0.65 O ATOM 678 CB LYS A 30 1.173 20.563 -3.867 1.00 0.78 C ATOM 679 CG LYS A 30 -0.113 19.801 -4.132 1.00 0.92 C ATOM 680 CD LYS A 30 -0.448 19.765 -5.611 1.00 0.89 C ATOM 681 CE LYS A 30 -1.694 18.935 -5.875 1.00 0.96 C ATOM 682 NZ LYS A 30 -2.170 19.067 -7.276 1.00 1.31 N ATOM 0 H LYS A 30 0.037 22.406 -2.545 1.00 0.63 H new ATOM 0 HA LYS A 30 1.358 19.884 -1.852 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.144 21.512 -4.403 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.014 19.996 -4.267 1.00 0.78 H new ATOM 0 HG2 LYS A 30 -0.017 18.783 -3.756 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.932 20.267 -3.584 1.00 0.92 H new ATOM 0 HD2 LYS A 30 -0.601 20.781 -5.976 1.00 0.89 H new ATOM 0 HD3 LYS A 30 0.393 19.350 -6.167 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -1.482 17.887 -5.662 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -2.486 19.245 -5.193 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -3.001 18.458 -7.419 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -2.430 20.057 -7.463 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -1.413 18.779 -7.928 1.00 1.31 H new ATOM 696 N THR A 31 2.823 22.759 -2.056 1.00 0.60 N ATOM 697 CA THR A 31 4.052 23.486 -1.787 1.00 0.61 C ATOM 698 C THR A 31 4.634 23.095 -0.428 1.00 0.52 C ATOM 699 O THR A 31 5.848 23.040 -0.257 1.00 0.54 O ATOM 700 CB THR A 31 3.809 25.010 -1.827 1.00 0.68 C ATOM 701 OG1 THR A 31 3.140 25.364 -3.046 1.00 0.80 O ATOM 702 CG2 THR A 31 5.119 25.777 -1.730 1.00 0.76 C ATOM 0 H THR A 31 2.000 23.353 -2.155 1.00 0.60 H new ATOM 0 HA THR A 31 4.767 23.220 -2.565 1.00 0.61 H new ATOM 0 HB THR A 31 3.187 25.276 -0.972 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.987 26.332 -3.066 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.917 26.848 -1.761 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.618 25.529 -0.793 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.763 25.505 -2.567 1.00 0.76 H new ATOM 710 N VAL A 32 3.761 22.797 0.528 1.00 0.50 N ATOM 711 CA VAL A 32 4.201 22.455 1.871 1.00 0.50 C ATOM 712 C VAL A 32 4.775 21.038 1.935 1.00 0.47 C ATOM 713 O VAL A 32 5.686 20.774 2.722 1.00 0.48 O ATOM 714 CB VAL A 32 3.072 22.622 2.916 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.825 21.867 2.533 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.544 22.173 4.283 1.00 0.85 C ATOM 0 H VAL A 32 2.750 22.786 0.397 1.00 0.50 H new ATOM 0 HA VAL A 32 4.995 23.159 2.120 1.00 0.50 H new ATOM 0 HB VAL A 32 2.821 23.682 2.947 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.061 22.015 3.297 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.457 22.235 1.575 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.054 20.805 2.450 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.737 22.297 5.005 1.00 0.85 H new ATOM 0 HG22 VAL A 32 3.835 21.123 4.241 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.400 22.775 4.588 1.00 0.85 H new ATOM 720 N LEU A 33 4.254 20.134 1.111 1.00 0.48 N ATOM 721 CA LEU A 33 4.766 18.770 1.050 1.00 0.49 C ATOM 722 C LEU A 33 6.286 18.739 0.897 1.00 0.50 C ATOM 723 O LEU A 33 6.974 18.084 1.681 1.00 0.54 O ATOM 724 CB LEU A 33 4.112 18.001 -0.102 1.00 0.53 C ATOM 725 CG LEU A 33 2.837 17.221 0.246 1.00 0.58 C ATOM 726 CD1 LEU A 33 3.118 16.192 1.326 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.718 18.146 0.682 1.00 0.74 C ATOM 0 H LEU A 33 3.478 20.322 0.477 1.00 0.48 H new ATOM 0 HA LEU A 33 4.513 18.288 1.995 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.875 18.709 -0.896 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.843 17.301 -0.506 1.00 0.53 H new ATOM 0 HG LEU A 33 2.512 16.705 -0.658 1.00 0.58 H new ATOM 0 HD11 LEU A 33 2.202 15.649 1.559 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.875 15.491 0.973 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.479 16.695 2.223 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.832 17.558 0.920 1.00 0.74 H new ATOM 0 HD22 LEU A 33 2.031 18.705 1.564 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.486 18.842 -0.124 1.00 0.74 H new ATOM 739 N LYS A 34 6.814 19.464 -0.087 1.00 0.51 N ATOM 740 CA LYS A 34 8.253 19.450 -0.346 1.00 0.56 C ATOM 741 C LYS A 34 9.023 20.033 0.836 1.00 0.53 C ATOM 742 O LYS A 34 10.135 19.599 1.139 1.00 0.59 O ATOM 743 CB LYS A 34 8.601 20.217 -1.629 1.00 0.65 C ATOM 744 CG LYS A 34 8.344 21.714 -1.551 1.00 0.93 C ATOM 745 CD LYS A 34 8.876 22.433 -2.779 1.00 0.89 C ATOM 746 CE LYS A 34 8.713 23.939 -2.655 1.00 1.70 C ATOM 747 NZ LYS A 34 9.309 24.652 -3.815 1.00 2.41 N ATOM 0 H LYS A 34 6.274 20.063 -0.712 1.00 0.51 H new ATOM 0 HA LYS A 34 8.548 18.409 -0.481 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.653 20.052 -1.863 1.00 0.65 H new ATOM 0 HB3 LYS A 34 8.022 19.803 -2.455 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.274 21.896 -1.456 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.817 22.120 -0.657 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.930 22.190 -2.917 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.349 22.080 -3.666 1.00 0.89 H new ATOM 0 HE2 LYS A 34 7.654 24.186 -2.581 1.00 1.70 H new ATOM 0 HE3 LYS A 34 9.186 24.282 -1.735 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 9.179 25.677 -3.696 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 10.325 24.436 -3.871 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 8.841 24.343 -4.691 1.00 2.41 H new ATOM 761 N GLU A 35 8.414 21.005 1.508 1.00 0.47 N ATOM 762 CA GLU A 35 9.019 21.643 2.670 1.00 0.47 C ATOM 763 C GLU A 35 9.155 20.652 3.820 1.00 0.46 C ATOM 764 O GLU A 35 9.999 20.816 4.699 1.00 0.57 O ATOM 765 CB GLU A 35 8.168 22.835 3.117 1.00 0.47 C ATOM 766 CG GLU A 35 7.992 23.909 2.054 1.00 0.61 C ATOM 767 CD GLU A 35 9.292 24.590 1.681 1.00 1.26 C ATOM 768 OE1 GLU A 35 9.770 25.442 2.458 1.00 1.47 O ATOM 769 OE2 GLU A 35 9.847 24.276 0.608 1.00 1.96 O ATOM 0 H GLU A 35 7.493 21.370 1.264 1.00 0.47 H new ATOM 0 HA GLU A 35 10.013 21.992 2.389 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.185 22.473 3.418 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.626 23.284 3.999 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.554 23.461 1.162 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.286 24.657 2.415 1.00 0.61 H new ATOM 776 N VAL A 36 8.311 19.630 3.809 1.00 0.41 N ATOM 777 CA VAL A 36 8.343 18.590 4.826 1.00 0.42 C ATOM 778 C VAL A 36 9.236 17.433 4.383 1.00 0.50 C ATOM 779 O VAL A 36 10.047 16.933 5.157 1.00 0.62 O ATOM 780 CB VAL A 36 6.915 18.097 5.141 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.929 16.813 5.958 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.159 19.188 5.879 1.00 0.74 C ATOM 0 H VAL A 36 7.590 19.499 3.100 1.00 0.41 H new ATOM 0 HA VAL A 36 8.765 19.011 5.739 1.00 0.42 H new ATOM 0 HB VAL A 36 6.413 17.874 4.200 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.905 16.499 6.159 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.445 16.032 5.400 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.447 16.988 6.901 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.150 18.843 6.103 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.677 19.424 6.809 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.107 20.081 5.255 1.00 0.74 H new ATOM 786 N PHE A 37 9.091 17.027 3.133 1.00 0.49 N ATOM 787 CA PHE A 37 9.958 16.032 2.525 1.00 0.54 C ATOM 788 C PHE A 37 11.432 16.404 2.611 1.00 0.59 C ATOM 789 O PHE A 37 12.281 15.529 2.769 1.00 0.66 O ATOM 790 CB PHE A 37 9.540 15.832 1.073 1.00 0.57 C ATOM 791 CG PHE A 37 8.263 15.044 0.969 1.00 0.57 C ATOM 792 CD1 PHE A 37 8.095 13.860 1.661 1.00 0.66 C ATOM 793 CD2 PHE A 37 7.232 15.485 0.150 1.00 0.74 C ATOM 794 CE1 PHE A 37 6.928 13.132 1.542 1.00 0.68 C ATOM 795 CE2 PHE A 37 6.064 14.761 0.029 1.00 0.83 C ATOM 796 CZ PHE A 37 5.895 13.595 0.828 1.00 0.71 C ATOM 0 H PHE A 37 8.366 17.380 2.509 1.00 0.49 H new ATOM 0 HA PHE A 37 9.845 15.102 3.082 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.410 16.802 0.594 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.333 15.314 0.533 1.00 0.57 H new ATOM 0 HD1 PHE A 37 8.886 13.500 2.302 1.00 0.66 H new ATOM 0 HD2 PHE A 37 7.346 16.408 -0.400 1.00 0.74 H new ATOM 0 HE1 PHE A 37 6.847 12.173 2.033 1.00 0.68 H new ATOM 0 HE2 PHE A 37 5.292 15.073 -0.659 1.00 0.83 H new ATOM 0 HZ PHE A 37 4.942 13.088 0.858 1.00 0.71 H new ATOM 806 N LYS A 38 11.753 17.690 2.525 1.00 0.60 N ATOM 807 CA LYS A 38 13.147 18.103 2.622 1.00 0.69 C ATOM 808 C LYS A 38 13.511 18.461 4.062 1.00 0.78 C ATOM 809 O LYS A 38 14.607 18.952 4.339 1.00 1.02 O ATOM 810 CB LYS A 38 13.441 19.277 1.688 1.00 0.75 C ATOM 811 CG LYS A 38 13.359 18.937 0.220 1.00 0.76 C ATOM 812 CD LYS A 38 13.596 20.177 -0.613 1.00 0.91 C ATOM 813 CE LYS A 38 13.290 19.931 -2.067 1.00 1.37 C ATOM 814 NZ LYS A 38 14.281 19.024 -2.704 1.00 2.18 N ATOM 0 H LYS A 38 11.084 18.449 2.391 1.00 0.60 H new ATOM 0 HA LYS A 38 13.764 17.260 2.311 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.738 20.082 1.903 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.439 19.659 1.906 1.00 0.75 H new ATOM 0 HG2 LYS A 38 14.099 18.176 -0.027 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.380 18.516 -0.010 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.973 20.991 -0.242 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.633 20.495 -0.507 1.00 0.91 H new ATOM 0 HE2 LYS A 38 12.293 19.499 -2.159 1.00 1.37 H new ATOM 0 HE3 LYS A 38 13.276 20.882 -2.599 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 14.031 18.883 -3.704 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 15.229 19.447 -2.641 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 14.277 18.107 -2.214 1.00 2.18 H new ATOM 828 N ALA A 39 12.589 18.194 4.978 1.00 0.71 N ATOM 829 CA ALA A 39 12.792 18.483 6.390 1.00 0.87 C ATOM 830 C ALA A 39 12.935 17.189 7.181 1.00 0.82 C ATOM 831 O ALA A 39 12.896 17.189 8.412 1.00 1.56 O ATOM 832 CB ALA A 39 11.647 19.332 6.934 1.00 1.06 C ATOM 0 H ALA A 39 11.685 17.773 4.764 1.00 0.71 H new ATOM 0 HA ALA A 39 13.715 19.053 6.499 1.00 0.87 H new ATOM 0 HB1 ALA A 39 11.817 19.538 7.991 1.00 1.06 H new ATOM 0 HB2 ALA A 39 11.598 20.272 6.385 1.00 1.06 H new ATOM 0 HB3 ALA A 39 10.707 18.794 6.816 1.00 1.06 H new ATOM 838 N GLY A 40 13.107 16.085 6.460 1.00 0.78 N ATOM 839 CA GLY A 40 13.330 14.804 7.102 1.00 1.03 C ATOM 840 C GLY A 40 14.776 14.623 7.535 1.00 1.29 C ATOM 841 O GLY A 40 15.508 15.603 7.683 1.00 1.54 O ATOM 0 H GLY A 40 13.096 16.056 5.440 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.678 14.717 7.972 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.055 14.003 6.416 1.00 1.03 H new ATOM 845 N PRO A 41 15.236 13.377 7.731 1.00 1.37 N ATOM 846 CA PRO A 41 14.432 12.170 7.539 1.00 1.22 C ATOM 847 C PRO A 41 13.470 11.911 8.696 1.00 1.09 C ATOM 848 O PRO A 41 13.604 12.479 9.782 1.00 1.18 O ATOM 849 CB PRO A 41 15.474 11.042 7.452 1.00 1.37 C ATOM 850 CG PRO A 41 16.812 11.707 7.509 1.00 1.60 C ATOM 851 CD PRO A 41 16.592 13.037 8.161 1.00 1.68 C ATOM 0 HA PRO A 41 13.799 12.253 6.656 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.354 10.337 8.274 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.359 10.476 6.527 1.00 1.37 H new ATOM 0 HG2 PRO A 41 17.521 11.107 8.079 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.229 11.828 6.509 1.00 1.60 H new ATOM 0 HD2 PRO A 41 16.671 12.975 9.246 1.00 1.68 H new ATOM 0 HD3 PRO A 41 17.321 13.777 7.830 1.00 1.68 H new ATOM 859 N TYR A 42 12.498 11.054 8.438 1.00 0.99 N ATOM 860 CA TYR A 42 11.487 10.695 9.421 1.00 0.92 C ATOM 861 C TYR A 42 11.516 9.196 9.657 1.00 0.97 C ATOM 862 O TYR A 42 11.584 8.413 8.712 1.00 1.08 O ATOM 863 CB TYR A 42 10.106 11.129 8.929 1.00 0.85 C ATOM 864 CG TYR A 42 10.008 12.612 8.648 1.00 0.87 C ATOM 865 CD1 TYR A 42 10.247 13.541 9.652 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.676 13.082 7.386 1.00 0.99 C ATOM 867 CE1 TYR A 42 10.156 14.896 9.408 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.586 14.437 7.132 1.00 1.10 C ATOM 869 CZ TYR A 42 9.825 15.337 8.148 1.00 1.12 C ATOM 870 OH TYR A 42 9.740 16.686 7.900 1.00 1.28 O ATOM 0 H TYR A 42 12.386 10.585 7.539 1.00 0.99 H new ATOM 0 HA TYR A 42 11.698 11.205 10.361 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.862 10.578 8.021 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.360 10.858 9.676 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.509 13.197 10.642 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.485 12.378 6.590 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.343 15.605 10.201 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.330 14.789 6.144 1.00 1.10 H new ATOM 0 HH TYR A 42 9.810 16.846 6.936 1.00 1.28 H new ATOM 880 N LYS A 43 11.467 8.810 10.920 1.00 0.96 N ATOM 881 CA LYS A 43 11.543 7.407 11.311 1.00 1.01 C ATOM 882 C LYS A 43 10.187 6.737 11.155 1.00 0.98 C ATOM 883 O LYS A 43 10.070 5.514 11.225 1.00 1.06 O ATOM 884 CB LYS A 43 12.003 7.298 12.767 1.00 1.10 C ATOM 885 CG LYS A 43 13.228 8.140 13.085 1.00 1.72 C ATOM 886 CD LYS A 43 13.608 8.056 14.557 1.00 2.26 C ATOM 887 CE LYS A 43 12.474 8.512 15.468 1.00 2.94 C ATOM 888 NZ LYS A 43 12.039 9.905 15.178 1.00 3.51 N ATOM 0 H LYS A 43 11.374 9.456 11.704 1.00 0.96 H new ATOM 0 HA LYS A 43 12.261 6.905 10.663 1.00 1.01 H new ATOM 0 HB2 LYS A 43 11.185 7.601 13.421 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.222 6.254 12.993 1.00 1.10 H new ATOM 0 HG2 LYS A 43 14.067 7.806 12.474 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.033 9.179 12.819 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.880 7.029 14.803 1.00 2.26 H new ATOM 0 HD3 LYS A 43 14.489 8.671 14.739 1.00 2.26 H new ATOM 0 HE2 LYS A 43 11.625 7.838 15.353 1.00 2.94 H new ATOM 0 HE3 LYS A 43 12.796 8.444 16.507 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 11.431 10.247 15.950 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 12.874 10.520 15.097 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 11.507 9.924 14.285 1.00 3.51 H new ATOM 902 N ASN A 44 9.164 7.552 10.951 1.00 0.88 N ATOM 903 CA ASN A 44 7.800 7.069 10.816 1.00 0.85 C ATOM 904 C ASN A 44 6.933 8.124 10.140 1.00 0.80 C ATOM 905 O ASN A 44 7.325 9.293 10.069 1.00 0.85 O ATOM 906 CB ASN A 44 7.210 6.702 12.188 1.00 0.89 C ATOM 907 CG ASN A 44 7.462 7.751 13.267 1.00 0.95 C ATOM 908 OD1 ASN A 44 7.687 8.997 12.872 1.00 1.52 O flip ATOM 909 ND2 ASN A 44 7.472 7.433 14.456 1.00 1.10 N flip ATOM 0 H ASN A 44 9.256 8.565 10.875 1.00 0.88 H new ATOM 0 HA ASN A 44 7.816 6.171 10.198 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.135 6.553 12.083 1.00 0.89 H new ATOM 0 HB3 ASN A 44 7.633 5.751 12.513 1.00 0.89 H new ATOM 0 HD21 ASN A 44 7.295 6.466 14.727 1.00 1.10 H new ATOM 0 HD22 ASN A 44 7.657 8.137 15.171 1.00 1.10 H new ATOM 916 N THR A 45 5.760 7.723 9.676 1.00 0.77 N ATOM 917 CA THR A 45 4.845 8.639 9.012 1.00 0.76 C ATOM 918 C THR A 45 4.353 9.723 9.977 1.00 0.74 C ATOM 919 O THR A 45 4.067 10.849 9.567 1.00 0.92 O ATOM 920 CB THR A 45 3.636 7.876 8.436 1.00 0.84 C ATOM 921 OG1 THR A 45 4.089 6.823 7.577 1.00 1.05 O ATOM 922 CG2 THR A 45 2.715 8.802 7.656 1.00 1.18 C ATOM 0 H THR A 45 5.418 6.765 9.747 1.00 0.77 H new ATOM 0 HA THR A 45 5.390 9.116 8.197 1.00 0.76 H new ATOM 0 HB THR A 45 3.075 7.459 9.272 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.316 6.341 7.215 1.00 1.05 H new ATOM 0 HG21 THR A 45 1.873 8.232 7.264 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.346 9.588 8.315 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.266 9.251 6.829 1.00 1.18 H new ATOM 930 N GLU A 46 4.282 9.376 11.260 1.00 0.72 N ATOM 931 CA GLU A 46 3.803 10.287 12.296 1.00 0.71 C ATOM 932 C GLU A 46 4.558 11.618 12.262 1.00 0.66 C ATOM 933 O GLU A 46 3.952 12.686 12.358 1.00 0.65 O ATOM 934 CB GLU A 46 3.947 9.632 13.668 1.00 0.79 C ATOM 935 CG GLU A 46 3.433 10.485 14.814 1.00 1.41 C ATOM 936 CD GLU A 46 3.583 9.795 16.149 1.00 1.82 C ATOM 937 OE1 GLU A 46 4.676 9.881 16.747 1.00 2.24 O ATOM 938 OE2 GLU A 46 2.616 9.155 16.603 1.00 2.12 O ATOM 0 H GLU A 46 4.554 8.457 11.610 1.00 0.72 H new ATOM 0 HA GLU A 46 2.751 10.497 12.104 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.410 8.683 13.665 1.00 0.79 H new ATOM 0 HB3 GLU A 46 4.998 9.403 13.842 1.00 0.79 H new ATOM 0 HG2 GLU A 46 3.975 11.431 14.833 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.383 10.723 14.645 1.00 1.41 H new ATOM 945 N GLU A 47 5.879 11.541 12.112 1.00 0.67 N ATOM 946 CA GLU A 47 6.719 12.733 12.009 1.00 0.67 C ATOM 947 C GLU A 47 6.311 13.595 10.817 1.00 0.60 C ATOM 948 O GLU A 47 6.247 14.816 10.918 1.00 0.58 O ATOM 949 CB GLU A 47 8.191 12.349 11.872 1.00 0.73 C ATOM 950 CG GLU A 47 8.887 12.034 13.185 1.00 0.98 C ATOM 951 CD GLU A 47 10.344 11.667 12.990 1.00 1.64 C ATOM 952 OE1 GLU A 47 11.191 12.581 12.934 1.00 2.03 O ATOM 953 OE2 GLU A 47 10.654 10.460 12.890 1.00 2.26 O ATOM 0 H GLU A 47 6.393 10.661 12.059 1.00 0.67 H new ATOM 0 HA GLU A 47 6.580 13.308 12.925 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.267 11.480 11.218 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.722 13.165 11.381 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.818 12.897 13.847 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.370 11.211 13.679 1.00 0.98 H new ATOM 960 N SER A 48 6.029 12.949 9.693 1.00 0.58 N ATOM 961 CA SER A 48 5.639 13.662 8.485 1.00 0.54 C ATOM 962 C SER A 48 4.287 14.343 8.689 1.00 0.51 C ATOM 963 O SER A 48 4.076 15.472 8.247 1.00 0.49 O ATOM 964 CB SER A 48 5.582 12.699 7.293 1.00 0.57 C ATOM 965 OG SER A 48 5.345 13.392 6.079 1.00 1.19 O ATOM 0 H SER A 48 6.063 11.934 9.593 1.00 0.58 H new ATOM 0 HA SER A 48 6.385 14.428 8.273 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.520 12.149 7.222 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.793 11.964 7.454 1.00 0.57 H new ATOM 0 HG SER A 48 5.315 12.752 5.337 1.00 1.19 H new ATOM 971 N ILE A 49 3.382 13.649 9.370 1.00 0.51 N ATOM 972 CA ILE A 49 2.068 14.195 9.677 1.00 0.49 C ATOM 973 C ILE A 49 2.201 15.393 10.607 1.00 0.49 C ATOM 974 O ILE A 49 1.544 16.415 10.427 1.00 0.47 O ATOM 975 CB ILE A 49 1.163 13.127 10.330 1.00 0.51 C ATOM 976 CG1 ILE A 49 0.958 11.955 9.368 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.175 13.732 10.737 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.152 10.818 9.955 1.00 0.55 C ATOM 0 H ILE A 49 3.537 12.704 9.721 1.00 0.51 H new ATOM 0 HA ILE A 49 1.608 14.513 8.741 1.00 0.49 H new ATOM 0 HB ILE A 49 1.652 12.757 11.231 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.457 12.317 8.470 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.932 11.576 9.059 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.798 12.963 11.195 1.00 0.50 H new ATOM 0 HG22 ILE A 49 -0.008 14.537 11.452 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.678 14.129 9.855 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.049 10.025 9.214 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.661 10.428 10.836 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.836 11.181 10.238 1.00 0.55 H new ATOM 985 N ALA A 50 3.082 15.251 11.586 1.00 0.52 N ATOM 986 CA ALA A 50 3.378 16.309 12.539 1.00 0.53 C ATOM 987 C ALA A 50 3.931 17.542 11.841 1.00 0.50 C ATOM 988 O ALA A 50 3.461 18.658 12.067 1.00 0.50 O ATOM 989 CB ALA A 50 4.380 15.800 13.552 1.00 0.57 C ATOM 0 H ALA A 50 3.614 14.395 11.742 1.00 0.52 H new ATOM 0 HA ALA A 50 2.453 16.594 13.039 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.606 16.589 14.269 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.962 14.941 14.077 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.295 15.502 13.040 1.00 0.57 H new ATOM 995 N ALA A 51 4.933 17.332 10.997 1.00 0.49 N ATOM 996 CA ALA A 51 5.537 18.414 10.233 1.00 0.48 C ATOM 997 C ALA A 51 4.488 19.135 9.395 1.00 0.45 C ATOM 998 O ALA A 51 4.505 20.363 9.271 1.00 0.47 O ATOM 999 CB ALA A 51 6.638 17.865 9.342 1.00 0.50 C ATOM 0 H ALA A 51 5.346 16.416 10.824 1.00 0.49 H new ATOM 0 HA ALA A 51 5.968 19.133 10.930 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.086 18.680 8.773 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.402 17.390 9.958 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.218 17.131 8.655 1.00 0.50 H new ATOM 1005 N LEU A 52 3.573 18.358 8.827 1.00 0.42 N ATOM 1006 CA LEU A 52 2.474 18.905 8.042 1.00 0.40 C ATOM 1007 C LEU A 52 1.488 19.652 8.929 1.00 0.39 C ATOM 1008 O LEU A 52 1.010 20.713 8.550 1.00 0.40 O ATOM 1009 CB LEU A 52 1.753 17.796 7.265 1.00 0.40 C ATOM 1010 CG LEU A 52 2.475 17.286 6.018 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.933 15.927 5.608 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.309 18.274 4.875 1.00 0.41 C ATOM 0 H LEU A 52 3.572 17.340 8.897 1.00 0.42 H new ATOM 0 HA LEU A 52 2.897 19.611 7.327 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.589 16.954 7.937 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.771 18.164 6.969 1.00 0.40 H new ATOM 0 HG LEU A 52 3.535 17.185 6.251 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.458 15.579 4.719 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.083 15.215 6.420 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.868 16.010 5.391 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.828 17.900 3.992 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.249 18.395 4.649 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.731 19.237 5.162 1.00 0.41 H new ATOM 1024 N LYS A 53 1.203 19.116 10.107 1.00 0.39 N ATOM 1025 CA LYS A 53 0.276 19.760 11.036 1.00 0.39 C ATOM 1026 C LYS A 53 0.795 21.119 11.504 1.00 0.40 C ATOM 1027 O LYS A 53 0.014 22.027 11.791 1.00 0.45 O ATOM 1028 CB LYS A 53 0.021 18.862 12.247 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.966 17.741 11.976 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.091 16.818 13.174 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.261 15.861 13.023 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.572 16.561 13.104 1.00 1.22 N ATOM 0 H LYS A 53 1.598 18.238 10.445 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.659 19.921 10.500 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.967 18.431 12.574 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.352 19.473 13.069 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.942 18.163 11.735 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.642 17.170 11.106 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.169 16.250 13.294 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.220 17.411 14.079 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -2.185 15.345 12.066 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -2.209 15.100 13.801 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -4.327 15.865 13.269 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -3.553 17.244 13.888 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.753 17.064 12.212 1.00 1.22 H new ATOM 1046 N LYS A 54 2.112 21.246 11.584 1.00 0.39 N ATOM 1047 CA LYS A 54 2.744 22.484 12.029 1.00 0.41 C ATOM 1048 C LYS A 54 2.616 23.578 10.969 1.00 0.41 C ATOM 1049 O LYS A 54 2.407 24.747 11.295 1.00 0.47 O ATOM 1050 CB LYS A 54 4.216 22.229 12.362 1.00 0.44 C ATOM 1051 CG LYS A 54 4.962 23.453 12.873 1.00 1.24 C ATOM 1052 CD LYS A 54 6.418 23.132 13.183 1.00 1.63 C ATOM 1053 CE LYS A 54 7.191 22.737 11.931 1.00 2.24 C ATOM 1054 NZ LYS A 54 7.260 23.846 10.943 1.00 3.05 N ATOM 0 H LYS A 54 2.769 20.503 11.345 1.00 0.39 H new ATOM 0 HA LYS A 54 2.232 22.828 12.928 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.276 21.441 13.113 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.719 21.857 11.470 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.914 24.247 12.127 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.472 23.830 13.771 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.891 23.999 13.643 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.464 22.321 13.909 1.00 1.63 H new ATOM 0 HE2 LYS A 54 8.201 22.436 12.209 1.00 2.24 H new ATOM 0 HE3 LYS A 54 6.716 21.871 11.470 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 7.968 23.619 10.216 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.330 23.969 10.494 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 7.530 24.726 11.427 1.00 3.05 H new ATOM 1068 N LYS A 55 2.736 23.199 9.710 1.00 0.42 N ATOM 1069 CA LYS A 55 2.606 24.149 8.616 1.00 0.48 C ATOM 1070 C LYS A 55 1.145 24.324 8.221 1.00 0.47 C ATOM 1071 O LYS A 55 0.617 25.435 8.223 1.00 0.58 O ATOM 1072 CB LYS A 55 3.399 23.673 7.409 1.00 0.55 C ATOM 1073 CG LYS A 55 3.366 24.647 6.242 1.00 1.23 C ATOM 1074 CD LYS A 55 4.594 25.532 6.198 1.00 1.16 C ATOM 1075 CE LYS A 55 5.876 24.733 6.006 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.086 25.590 6.124 1.00 1.48 N ATOM 0 H LYS A 55 2.923 22.240 9.418 1.00 0.42 H new ATOM 0 HA LYS A 55 2.998 25.108 8.955 1.00 0.48 H new ATOM 0 HB2 LYS A 55 4.435 23.509 7.706 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.005 22.711 7.081 1.00 0.55 H new ATOM 0 HG2 LYS A 55 3.289 24.090 5.308 1.00 1.23 H new ATOM 0 HG3 LYS A 55 2.474 25.270 6.316 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.492 26.251 5.385 1.00 1.16 H new ATOM 0 HD3 LYS A 55 4.660 26.104 7.124 1.00 1.16 H new ATOM 0 HE2 LYS A 55 5.922 23.936 6.748 1.00 1.03 H new ATOM 0 HE3 LYS A 55 5.863 24.256 5.026 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 7.938 25.009 5.987 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 7.055 26.336 5.400 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.112 26.026 7.068 1.00 1.48 H new ATOM 1090 N SER A 56 0.503 23.222 7.892 1.00 0.39 N ATOM 1091 CA SER A 56 -0.873 23.237 7.435 1.00 0.39 C ATOM 1092 C SER A 56 -1.697 22.257 8.266 1.00 0.38 C ATOM 1093 O SER A 56 -1.811 21.074 7.936 1.00 0.38 O ATOM 1094 CB SER A 56 -0.925 22.875 5.951 1.00 0.40 C ATOM 1095 OG SER A 56 -0.144 23.779 5.185 1.00 1.16 O ATOM 0 H SER A 56 0.919 22.292 7.933 1.00 0.39 H new ATOM 0 HA SER A 56 -1.294 24.235 7.560 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.559 21.858 5.807 1.00 0.40 H new ATOM 0 HB3 SER A 56 -1.958 22.894 5.603 1.00 0.40 H new ATOM 0 HG SER A 56 -0.189 23.529 4.238 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.279 22.772 9.370 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.047 21.986 10.344 1.00 0.43 C ATOM 1103 C PRO A 57 -4.036 21.028 9.695 1.00 0.44 C ATOM 1104 O PRO A 57 -4.025 19.824 9.945 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.816 23.064 11.105 1.00 0.48 C ATOM 1106 CG PRO A 57 -2.908 24.238 11.090 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.208 24.197 9.761 1.00 0.45 C ATOM 0 HA PRO A 57 -2.398 21.356 10.953 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.767 23.290 10.623 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.042 22.748 12.123 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.467 25.166 11.209 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.192 24.189 11.911 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.700 24.838 9.029 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.176 24.539 9.841 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.898 21.604 8.856 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.948 20.864 8.166 1.00 0.51 C ATOM 1117 C GLU A 58 -5.382 19.823 7.213 1.00 0.47 C ATOM 1118 O GLU A 58 -5.981 18.764 7.022 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.849 21.824 7.390 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.520 22.870 8.258 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.435 23.774 7.463 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.571 23.359 7.160 1.00 2.42 O ATOM 1123 OE2 GLU A 58 -8.021 24.902 7.123 1.00 2.45 O ATOM 0 H GLU A 58 -4.885 22.600 8.637 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.528 20.344 8.929 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.256 22.326 6.625 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.616 21.249 6.872 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -8.093 22.375 9.042 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -6.758 23.472 8.752 1.00 1.44 H new ATOM 1130 N LEU A 59 -4.234 20.110 6.615 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.651 19.177 5.667 1.00 0.48 C ATOM 1132 C LEU A 59 -3.099 17.987 6.430 1.00 0.43 C ATOM 1133 O LEU A 59 -3.216 16.833 6.015 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.542 19.834 4.846 1.00 0.56 C ATOM 1135 CG LEU A 59 -1.918 18.932 3.781 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -2.966 18.496 2.768 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -0.770 19.642 3.087 1.00 1.42 C ATOM 0 H LEU A 59 -3.698 20.965 6.766 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.425 18.853 4.971 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -2.946 20.722 4.360 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.757 20.170 5.524 1.00 0.56 H new ATOM 0 HG LEU A 59 -1.525 18.042 4.273 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -2.503 17.855 2.018 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -3.757 17.946 3.277 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -3.390 19.375 2.282 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -0.338 18.984 2.332 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -1.139 20.550 2.609 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -0.007 19.903 3.820 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.500 18.305 7.573 1.00 0.37 N ATOM 1150 CA GLY A 60 -2.006 17.293 8.475 1.00 0.36 C ATOM 1151 C GLY A 60 -3.129 16.432 9.008 1.00 0.35 C ATOM 1152 O GLY A 60 -2.946 15.247 9.246 1.00 0.36 O ATOM 0 H GLY A 60 -2.349 19.263 7.890 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.279 16.666 7.958 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.484 17.768 9.306 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.297 17.038 9.198 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.485 16.304 9.608 1.00 0.42 C ATOM 1158 C ALA A 61 -5.960 15.379 8.489 1.00 0.44 C ATOM 1159 O ALA A 61 -6.505 14.304 8.747 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.594 17.267 10.005 1.00 0.45 C ATOM 0 H ALA A 61 -4.444 18.040 9.073 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.228 15.693 10.473 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.475 16.702 10.309 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.257 17.888 10.835 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.846 17.902 9.156 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.748 15.803 7.247 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.113 14.998 6.085 1.00 0.50 C ATOM 1168 C LYS A 62 -5.254 13.742 6.002 1.00 0.54 C ATOM 1169 O LYS A 62 -5.777 12.632 5.894 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.985 15.816 4.796 1.00 0.53 C ATOM 1171 CG LYS A 62 -7.111 16.817 4.603 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.949 17.595 3.308 1.00 1.25 C ATOM 1173 CE LYS A 62 -8.153 18.484 3.038 1.00 1.51 C ATOM 1174 NZ LYS A 62 -8.410 19.434 4.154 1.00 2.17 N ATOM 0 H LYS A 62 -5.324 16.702 7.018 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.154 14.695 6.201 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -5.034 16.348 4.805 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -5.963 15.137 3.944 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -8.067 16.294 4.597 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -7.132 17.510 5.444 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -6.048 18.206 3.360 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -6.815 16.900 2.479 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -7.990 19.043 2.117 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -9.034 17.862 2.882 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -9.126 20.129 3.860 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -8.756 18.910 4.983 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -7.528 19.928 4.399 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.936 13.912 6.062 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.028 12.774 6.034 1.00 0.48 C ATOM 1190 C VAL A 63 -3.126 11.971 7.336 1.00 0.46 C ATOM 1191 O VAL A 63 -2.833 10.774 7.364 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.569 13.222 5.779 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.082 14.124 6.892 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.642 12.027 5.604 1.00 1.12 C ATOM 0 H VAL A 63 -3.477 14.821 6.130 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.328 12.131 5.207 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.555 13.789 4.848 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.054 14.427 6.692 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.716 15.009 6.947 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.124 13.587 7.840 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.375 12.378 5.427 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.663 11.415 6.506 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.973 11.431 4.754 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.563 12.634 8.406 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.765 11.985 9.699 1.00 0.42 C ATOM 1200 C GLU A 64 -4.876 10.951 9.616 1.00 0.50 C ATOM 1201 O GLU A 64 -4.655 9.767 9.868 1.00 0.55 O ATOM 1202 CB GLU A 64 -4.130 13.015 10.768 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.348 12.416 12.145 1.00 0.53 C ATOM 1204 CD GLU A 64 -5.309 13.231 12.978 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -4.919 14.318 13.450 1.00 1.70 O ATOM 1206 OE2 GLU A 64 -6.456 12.792 13.173 1.00 1.66 O ATOM 0 H GLU A 64 -3.785 13.629 8.401 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.831 11.493 9.969 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.337 13.760 10.827 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -5.036 13.538 10.462 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.731 11.401 12.041 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.392 12.344 12.663 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.073 11.403 9.247 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.234 10.543 9.201 1.00 0.69 C ATOM 1215 C LYS A 65 -7.007 9.440 8.178 1.00 0.71 C ATOM 1216 O LYS A 65 -7.426 8.297 8.360 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.466 11.375 8.845 1.00 0.84 C ATOM 1218 CG LYS A 65 -9.753 10.581 8.752 1.00 1.92 C ATOM 1219 CD LYS A 65 -10.259 10.137 10.120 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.876 8.696 10.431 1.00 3.23 C ATOM 1221 NZ LYS A 65 -10.609 7.726 9.576 1.00 3.96 N ATOM 0 H LYS A 65 -6.256 12.369 8.975 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.397 10.081 10.175 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.590 12.157 9.594 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.290 11.872 7.891 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -10.516 11.187 8.264 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -9.592 9.704 8.125 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -9.851 10.794 10.888 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -11.344 10.240 10.156 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -8.803 8.567 10.287 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -10.084 8.484 11.480 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -10.331 6.757 9.833 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -11.633 7.842 9.719 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.377 7.899 8.577 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.305 9.807 7.114 1.00 0.72 N ATOM 1236 CA LEU A 66 -5.960 8.888 6.044 1.00 0.80 C ATOM 1237 C LEU A 66 -4.974 7.834 6.537 1.00 0.76 C ATOM 1238 O LEU A 66 -4.973 6.697 6.067 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.342 9.667 4.887 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.048 8.856 3.632 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.326 8.587 2.857 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.036 9.574 2.763 1.00 1.37 C ATOM 0 H LEU A 66 -5.959 10.756 6.971 1.00 0.72 H new ATOM 0 HA LEU A 66 -6.866 8.384 5.708 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.014 10.483 4.622 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.412 10.119 5.232 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.624 7.898 3.932 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.095 8.006 1.964 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -7.021 8.028 3.484 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -6.781 9.534 2.566 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -3.837 8.981 1.870 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -4.432 10.547 2.472 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.110 9.712 3.321 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.144 8.208 7.504 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.122 7.306 8.009 1.00 0.55 C ATOM 1256 C HIS A 67 -3.735 6.398 9.050 1.00 0.44 C ATOM 1257 O HIS A 67 -3.398 5.223 9.140 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.948 8.082 8.609 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.761 7.224 8.923 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.168 7.175 10.166 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -0.046 6.384 8.137 1.00 1.85 C ATOM 1262 CE1 HIS A 67 0.859 6.349 10.129 1.00 2.13 C ATOM 1263 NE2 HIS A 67 0.953 5.854 8.911 1.00 2.34 N ATOM 0 H HIS A 67 -4.160 9.125 7.950 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.737 6.711 7.181 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.646 8.864 7.913 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -2.279 8.578 9.521 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -0.229 6.171 7.094 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.513 6.117 10.957 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.655 5.185 8.596 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.641 6.968 9.826 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.416 6.218 10.793 1.00 0.36 C ATOM 1274 C ALA A 68 -6.198 5.109 10.100 1.00 0.34 C ATOM 1275 O ALA A 68 -6.283 3.995 10.608 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.354 7.159 11.522 1.00 0.40 C ATOM 0 H ALA A 68 -4.858 7.964 9.802 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.743 5.755 11.515 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.939 6.598 12.251 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.774 7.926 12.036 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -7.025 7.632 10.805 1.00 0.40 H new ATOM 1282 N MET A 69 -6.758 5.429 8.933 1.00 0.33 N ATOM 1283 CA MET A 69 -7.424 4.437 8.091 1.00 0.37 C ATOM 1284 C MET A 69 -6.496 3.265 7.820 1.00 0.37 C ATOM 1285 O MET A 69 -6.808 2.115 8.132 1.00 0.42 O ATOM 1286 CB MET A 69 -7.814 5.064 6.755 1.00 0.46 C ATOM 1287 CG MET A 69 -8.969 6.041 6.825 1.00 0.44 C ATOM 1288 SD MET A 69 -9.058 7.084 5.357 1.00 0.72 S ATOM 1289 CE MET A 69 -8.683 5.886 4.078 1.00 0.55 C ATOM 0 H MET A 69 -6.763 6.374 8.548 1.00 0.33 H new ATOM 0 HA MET A 69 -8.314 4.088 8.615 1.00 0.37 H new ATOM 0 HB2 MET A 69 -6.946 5.579 6.344 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.072 4.267 6.057 1.00 0.46 H new ATOM 0 HG2 MET A 69 -9.903 5.491 6.937 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.861 6.668 7.710 1.00 0.44 H new ATOM 0 HE1 MET A 69 -8.888 6.322 3.100 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.631 5.607 4.138 1.00 0.55 H new ATOM 0 HE3 MET A 69 -9.302 4.999 4.217 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.349 3.587 7.237 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.332 2.612 6.905 1.00 0.39 C ATOM 1301 C VAL A 70 -3.911 1.823 8.141 1.00 0.38 C ATOM 1302 O VAL A 70 -3.808 0.597 8.105 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.116 3.334 6.290 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.011 2.356 5.946 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -3.540 4.120 5.058 1.00 0.70 C ATOM 0 H VAL A 70 -5.101 4.543 6.981 1.00 0.36 H new ATOM 0 HA VAL A 70 -4.741 1.907 6.181 1.00 0.39 H new ATOM 0 HB VAL A 70 -2.723 4.029 7.032 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.168 2.896 5.515 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -1.687 1.840 6.850 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.382 1.627 5.226 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -2.673 4.625 4.633 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -3.962 3.439 4.319 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.290 4.860 5.339 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.699 2.533 9.241 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.280 1.911 10.489 1.00 0.43 C ATOM 1311 C LYS A 71 -4.347 0.975 11.037 1.00 0.44 C ATOM 1312 O LYS A 71 -4.027 -0.111 11.489 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.938 2.970 11.535 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.637 3.706 11.264 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.433 2.784 11.364 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.371 2.087 12.715 1.00 0.75 C ATOM 1317 NZ LYS A 71 0.957 1.468 12.960 1.00 1.47 N ATOM 0 H LYS A 71 -3.811 3.545 9.294 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.389 1.322 10.270 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.751 3.695 11.583 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.877 2.494 12.514 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.672 4.151 10.270 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.528 4.524 11.976 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.479 2.038 10.571 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.480 3.359 11.208 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.587 2.807 13.505 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -1.143 1.319 12.763 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 0.957 1.004 13.891 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.153 0.763 12.221 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.692 2.204 12.940 1.00 1.47 H new ATOM 1331 N SER A 72 -5.606 1.392 10.986 1.00 0.45 N ATOM 1332 CA SER A 72 -6.704 0.577 11.502 1.00 0.49 C ATOM 1333 C SER A 72 -6.766 -0.770 10.785 1.00 0.45 C ATOM 1334 O SER A 72 -7.087 -1.798 11.385 1.00 0.49 O ATOM 1335 CB SER A 72 -8.035 1.318 11.342 1.00 0.56 C ATOM 1336 OG SER A 72 -8.010 2.565 12.018 1.00 1.26 O ATOM 0 H SER A 72 -5.894 2.288 10.594 1.00 0.45 H new ATOM 0 HA SER A 72 -6.523 0.395 12.561 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.240 1.479 10.284 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.846 0.704 11.734 1.00 0.56 H new ATOM 0 HG SER A 72 -7.572 3.235 11.452 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.444 -0.753 9.502 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.417 -1.963 8.697 1.00 0.38 C ATOM 1344 C LYS A 73 -5.144 -2.760 8.970 1.00 0.33 C ATOM 1345 O LYS A 73 -5.205 -3.957 9.209 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.545 -1.618 7.214 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.760 -0.762 6.901 1.00 0.62 C ATOM 1348 CD LYS A 73 -7.835 -0.406 5.429 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.062 0.437 5.126 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.248 0.638 3.669 1.00 1.54 N ATOM 0 H LYS A 73 -6.195 0.094 8.992 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.267 -2.586 8.974 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.646 -1.093 6.891 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.600 -2.541 6.636 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.665 -1.295 7.192 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.723 0.152 7.494 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -6.937 0.138 5.138 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -7.862 -1.318 4.833 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -9.946 -0.046 5.542 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -8.967 1.406 5.617 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.234 0.908 3.479 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.613 1.392 3.339 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -9.028 -0.245 3.166 1.00 1.54 H new ATOM 1364 N ILE A 74 -3.999 -2.103 8.986 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.743 -2.789 9.286 1.00 0.28 C ATOM 1366 C ILE A 74 -2.737 -3.281 10.738 1.00 0.28 C ATOM 1367 O ILE A 74 -1.980 -4.175 11.118 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.539 -1.867 8.994 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.534 -1.529 7.505 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.224 -2.518 9.403 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.406 -0.627 7.076 1.00 0.32 C ATOM 0 H ILE A 74 -3.906 -1.105 8.798 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.655 -3.662 8.639 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.638 -0.955 9.582 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.479 -2.456 6.934 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.481 -1.053 7.250 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.601 -1.841 9.183 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.242 -2.734 10.471 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.089 -3.446 8.848 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.478 -0.438 6.005 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.470 0.318 7.616 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.548 -1.107 7.296 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.639 -2.716 11.523 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.854 -3.137 12.904 1.00 0.32 C ATOM 1380 C ALA A 75 -4.655 -4.429 12.936 1.00 0.32 C ATOM 1381 O ALA A 75 -4.454 -5.291 13.790 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.601 -2.065 13.678 1.00 0.34 C ATOM 0 H ALA A 75 -4.245 -1.952 11.224 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.881 -3.298 13.368 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.752 -2.397 14.705 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.020 -1.143 13.676 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.568 -1.885 13.209 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.564 -4.543 11.980 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.422 -5.709 11.842 1.00 0.32 C ATOM 1390 C ALA A 76 -5.714 -6.789 11.038 1.00 0.34 C ATOM 1391 O ALA A 76 -6.251 -7.871 10.815 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.716 -5.308 11.149 1.00 0.35 C ATOM 0 H ALA A 76 -5.728 -3.825 11.274 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.650 -6.105 12.832 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.359 -6.182 11.045 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.227 -4.550 11.743 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.490 -4.905 10.162 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.507 -6.476 10.603 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.745 -7.360 9.749 1.00 0.31 C ATOM 1400 C LEU A 77 -2.773 -8.188 10.575 1.00 0.32 C ATOM 1401 O LEU A 77 -2.154 -7.678 11.513 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.990 -6.519 8.721 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.561 -7.242 7.447 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.689 -8.116 6.926 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.170 -6.219 6.400 1.00 0.58 C ATOM 0 H LEU A 77 -4.031 -5.604 10.833 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.419 -8.046 9.237 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.619 -5.674 8.441 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.100 -6.110 9.199 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.707 -7.882 7.669 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.366 -8.624 6.017 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.954 -8.856 7.681 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.558 -7.496 6.705 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.863 -6.731 5.488 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -3.022 -5.575 6.185 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.343 -5.615 6.773 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.658 -9.465 10.236 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.734 -10.335 10.933 1.00 0.42 C ATOM 1419 C GLY A 78 -0.291 -9.941 10.688 1.00 0.46 C ATOM 1420 O GLY A 78 0.011 -9.380 9.641 1.00 0.76 O ATOM 0 H GLY A 78 -3.189 -9.914 9.490 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -1.942 -10.303 12.002 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -1.889 -11.364 10.608 1.00 0.42 H new ATOM 1424 N PRO A 79 0.617 -10.244 11.637 1.00 0.66 N ATOM 1425 CA PRO A 79 2.040 -9.855 11.584 1.00 0.86 C ATOM 1426 C PRO A 79 2.683 -9.995 10.199 1.00 0.60 C ATOM 1427 O PRO A 79 3.383 -9.090 9.738 1.00 0.64 O ATOM 1428 CB PRO A 79 2.685 -10.843 12.553 1.00 1.32 C ATOM 1429 CG PRO A 79 1.637 -11.092 13.579 1.00 1.56 C ATOM 1430 CD PRO A 79 0.315 -11.015 12.861 1.00 1.10 C ATOM 0 HA PRO A 79 2.169 -8.801 11.829 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.973 -11.765 12.048 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.589 -10.429 13.000 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.771 -12.069 14.043 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.690 -10.351 14.377 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.068 -12.007 12.623 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.441 -10.518 13.469 1.00 1.10 H new ATOM 1438 N GLU A 80 2.425 -11.116 9.535 1.00 0.51 N ATOM 1439 CA GLU A 80 3.044 -11.412 8.250 1.00 0.49 C ATOM 1440 C GLU A 80 2.522 -10.486 7.160 1.00 0.42 C ATOM 1441 O GLU A 80 3.298 -9.955 6.362 1.00 0.49 O ATOM 1442 CB GLU A 80 2.831 -12.881 7.846 1.00 0.70 C ATOM 1443 CG GLU A 80 1.385 -13.368 7.854 1.00 1.25 C ATOM 1444 CD GLU A 80 0.832 -13.580 9.247 1.00 1.79 C ATOM 1445 OE1 GLU A 80 1.217 -14.567 9.905 1.00 2.19 O ATOM 1446 OE2 GLU A 80 0.009 -12.760 9.689 1.00 2.52 O ATOM 0 H GLU A 80 1.787 -11.838 9.869 1.00 0.51 H new ATOM 0 HA GLU A 80 4.115 -11.242 8.364 1.00 0.49 H new ATOM 0 HB2 GLU A 80 3.238 -13.026 6.845 1.00 0.70 H new ATOM 0 HB3 GLU A 80 3.411 -13.511 8.520 1.00 0.70 H new ATOM 0 HG2 GLU A 80 0.762 -12.643 7.330 1.00 1.25 H new ATOM 0 HG3 GLU A 80 1.321 -14.304 7.299 1.00 1.25 H new ATOM 1453 N ALA A 81 1.219 -10.277 7.131 1.00 0.36 N ATOM 1454 CA ALA A 81 0.634 -9.407 6.122 1.00 0.34 C ATOM 1455 C ALA A 81 0.870 -7.947 6.498 1.00 0.31 C ATOM 1456 O ALA A 81 1.041 -7.080 5.640 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.841 -9.720 5.942 1.00 0.36 C ATOM 0 H ALA A 81 0.552 -10.690 7.783 1.00 0.36 H new ATOM 0 HA ALA A 81 1.119 -9.585 5.162 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.263 -9.060 5.184 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.957 -10.757 5.626 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.363 -9.568 6.887 1.00 0.36 H new ATOM 1463 N LYS A 82 0.887 -7.714 7.803 1.00 0.31 N ATOM 1464 CA LYS A 82 1.182 -6.415 8.400 1.00 0.33 C ATOM 1465 C LYS A 82 2.491 -5.838 7.873 1.00 0.33 C ATOM 1466 O LYS A 82 2.532 -4.698 7.409 1.00 0.32 O ATOM 1467 CB LYS A 82 1.260 -6.589 9.920 1.00 0.41 C ATOM 1468 CG LYS A 82 1.734 -5.368 10.685 1.00 0.60 C ATOM 1469 CD LYS A 82 1.930 -5.713 12.150 1.00 0.86 C ATOM 1470 CE LYS A 82 2.374 -4.516 12.969 1.00 1.33 C ATOM 1471 NZ LYS A 82 3.707 -4.008 12.552 1.00 2.04 N ATOM 0 H LYS A 82 0.692 -8.439 8.494 1.00 0.31 H new ATOM 0 HA LYS A 82 0.390 -5.715 8.134 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.273 -6.869 10.289 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.930 -7.420 10.141 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.670 -5.004 10.261 1.00 0.60 H new ATOM 0 HG3 LYS A 82 1.006 -4.563 10.587 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.997 -6.103 12.557 1.00 0.86 H new ATOM 0 HD3 LYS A 82 2.672 -6.506 12.238 1.00 0.86 H new ATOM 0 HE2 LYS A 82 1.637 -3.719 12.871 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.407 -4.792 14.023 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 3.997 -3.234 13.184 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 4.404 -4.778 12.605 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 3.654 -3.656 11.575 1.00 2.04 H new ATOM 1485 N GLY A 83 3.553 -6.637 7.934 1.00 0.37 N ATOM 1486 CA GLY A 83 4.860 -6.178 7.501 1.00 0.41 C ATOM 1487 C GLY A 83 4.866 -5.741 6.051 1.00 0.39 C ATOM 1488 O GLY A 83 5.474 -4.728 5.699 1.00 0.41 O ATOM 0 H GLY A 83 3.530 -7.597 8.277 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.177 -5.346 8.130 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.588 -6.978 7.640 1.00 0.41 H new ATOM 1492 N PHE A 84 4.174 -6.500 5.214 1.00 0.37 N ATOM 1493 CA PHE A 84 4.067 -6.170 3.805 1.00 0.37 C ATOM 1494 C PHE A 84 3.225 -4.913 3.603 1.00 0.34 C ATOM 1495 O PHE A 84 3.589 -4.040 2.817 1.00 0.37 O ATOM 1496 CB PHE A 84 3.469 -7.339 3.019 1.00 0.39 C ATOM 1497 CG PHE A 84 2.908 -6.930 1.688 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.729 -6.415 0.699 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.553 -7.041 1.435 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.206 -6.017 -0.513 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.028 -6.649 0.222 1.00 1.65 C ATOM 1502 CZ PHE A 84 1.853 -6.135 -0.751 1.00 1.59 C ATOM 0 H PHE A 84 3.679 -7.348 5.489 1.00 0.37 H new ATOM 0 HA PHE A 84 5.072 -5.976 3.429 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.238 -8.096 2.865 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.680 -7.802 3.612 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.790 -6.324 0.879 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.899 -7.439 2.196 1.00 1.22 H new ATOM 0 HE1 PHE A 84 3.856 -5.613 -1.275 1.00 1.13 H new ATOM 0 HE2 PHE A 84 -0.031 -6.746 0.036 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.442 -5.824 -1.700 1.00 1.59 H new ATOM 1512 N ALA A 85 2.105 -4.830 4.311 1.00 0.30 N ATOM 1513 CA ALA A 85 1.204 -3.689 4.189 1.00 0.30 C ATOM 1514 C ALA A 85 1.923 -2.388 4.513 1.00 0.32 C ATOM 1515 O ALA A 85 1.694 -1.364 3.876 1.00 0.41 O ATOM 1516 CB ALA A 85 -0.002 -3.864 5.095 1.00 0.28 C ATOM 0 H ALA A 85 1.798 -5.540 4.976 1.00 0.30 H new ATOM 0 HA ALA A 85 0.862 -3.640 3.155 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.663 -3.004 4.991 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.539 -4.770 4.815 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.329 -3.944 6.130 1.00 0.28 H new ATOM 1522 N GLU A 86 2.811 -2.443 5.492 1.00 0.31 N ATOM 1523 CA GLU A 86 3.591 -1.277 5.864 1.00 0.37 C ATOM 1524 C GLU A 86 4.572 -0.917 4.747 1.00 0.44 C ATOM 1525 O GLU A 86 4.637 0.233 4.321 1.00 0.70 O ATOM 1526 CB GLU A 86 4.329 -1.521 7.181 1.00 0.43 C ATOM 1527 CG GLU A 86 3.391 -1.709 8.365 1.00 0.55 C ATOM 1528 CD GLU A 86 4.125 -1.903 9.675 1.00 0.95 C ATOM 1529 OE1 GLU A 86 4.582 -0.899 10.260 1.00 1.11 O ATOM 1530 OE2 GLU A 86 4.249 -3.058 10.132 1.00 1.96 O ATOM 0 H GLU A 86 3.008 -3.280 6.041 1.00 0.31 H new ATOM 0 HA GLU A 86 2.913 -0.436 6.009 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.958 -2.405 7.080 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.992 -0.679 7.380 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.738 -0.840 8.446 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.752 -2.572 8.182 1.00 0.55 H new ATOM 1537 N LYS A 87 5.301 -1.913 4.251 1.00 0.41 N ATOM 1538 CA LYS A 87 6.300 -1.686 3.207 1.00 0.49 C ATOM 1539 C LYS A 87 5.671 -1.244 1.888 1.00 0.49 C ATOM 1540 O LYS A 87 6.166 -0.321 1.248 1.00 0.57 O ATOM 1541 CB LYS A 87 7.154 -2.934 2.985 1.00 0.57 C ATOM 1542 CG LYS A 87 8.387 -2.978 3.868 1.00 0.69 C ATOM 1543 CD LYS A 87 9.204 -4.238 3.647 1.00 1.25 C ATOM 1544 CE LYS A 87 10.458 -4.248 4.506 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.352 -3.098 4.206 1.00 2.12 N ATOM 0 H LYS A 87 5.220 -2.884 4.553 1.00 0.41 H new ATOM 0 HA LYS A 87 6.938 -0.875 3.558 1.00 0.49 H new ATOM 0 HB2 LYS A 87 6.548 -3.820 3.174 1.00 0.57 H new ATOM 0 HB3 LYS A 87 7.461 -2.975 1.940 1.00 0.57 H new ATOM 0 HG2 LYS A 87 9.007 -2.105 3.667 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.085 -2.921 4.914 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.596 -5.112 3.879 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.482 -4.313 2.596 1.00 1.25 H new ATOM 0 HE2 LYS A 87 10.176 -4.222 5.559 1.00 1.75 H new ATOM 0 HE3 LYS A 87 11.000 -5.180 4.344 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.292 -3.273 4.615 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.439 -2.985 3.176 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 10.951 -2.231 4.617 1.00 2.12 H new ATOM 1559 N SER A 88 4.588 -1.895 1.482 1.00 0.46 N ATOM 1560 CA SER A 88 3.934 -1.562 0.221 1.00 0.51 C ATOM 1561 C SER A 88 3.468 -0.111 0.214 1.00 0.51 C ATOM 1562 O SER A 88 3.691 0.620 -0.753 1.00 0.57 O ATOM 1563 CB SER A 88 2.761 -2.509 -0.047 1.00 0.56 C ATOM 1564 OG SER A 88 1.943 -2.652 1.100 1.00 0.48 O ATOM 0 H SER A 88 4.146 -2.652 2.003 1.00 0.46 H new ATOM 0 HA SER A 88 4.663 -1.685 -0.580 1.00 0.51 H new ATOM 0 HB2 SER A 88 2.165 -2.128 -0.876 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.141 -3.485 -0.350 1.00 0.56 H new ATOM 0 HG SER A 88 2.381 -3.249 1.742 1.00 0.48 H new ATOM 1570 N ILE A 89 2.837 0.304 1.308 1.00 0.50 N ATOM 1571 CA ILE A 89 2.415 1.685 1.470 1.00 0.56 C ATOM 1572 C ILE A 89 3.623 2.629 1.421 1.00 0.55 C ATOM 1573 O ILE A 89 3.573 3.672 0.768 1.00 0.59 O ATOM 1574 CB ILE A 89 1.610 1.877 2.789 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.109 1.644 2.550 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.831 3.258 3.390 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.245 0.249 2.082 1.00 1.09 C ATOM 0 H ILE A 89 2.607 -0.301 2.096 1.00 0.50 H new ATOM 0 HA ILE A 89 1.754 1.935 0.640 1.00 0.56 H new ATOM 0 HB ILE A 89 1.977 1.137 3.500 1.00 0.63 H new ATOM 0 HG12 ILE A 89 -0.429 1.850 3.475 1.00 0.83 H new ATOM 0 HG13 ILE A 89 -0.243 2.362 1.809 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.252 3.352 4.309 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.889 3.393 3.613 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.510 4.020 2.679 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -1.323 0.176 1.939 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.261 0.042 1.139 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.072 -0.477 2.830 1.00 1.09 H new ATOM 1584 N GLU A 90 4.715 2.237 2.072 1.00 0.53 N ATOM 1585 CA GLU A 90 5.925 3.055 2.103 1.00 0.60 C ATOM 1586 C GLU A 90 6.534 3.215 0.709 1.00 0.56 C ATOM 1587 O GLU A 90 6.782 4.338 0.264 1.00 0.63 O ATOM 1588 CB GLU A 90 6.967 2.453 3.048 1.00 0.69 C ATOM 1589 CG GLU A 90 6.588 2.525 4.517 1.00 1.28 C ATOM 1590 CD GLU A 90 7.681 1.995 5.419 1.00 2.08 C ATOM 1591 OE1 GLU A 90 7.693 0.775 5.684 1.00 2.82 O ATOM 1592 OE2 GLU A 90 8.530 2.789 5.873 1.00 2.41 O ATOM 0 H GLU A 90 4.787 1.358 2.585 1.00 0.53 H new ATOM 0 HA GLU A 90 5.634 4.040 2.468 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.128 1.410 2.776 1.00 0.69 H new ATOM 0 HB3 GLU A 90 7.915 2.970 2.903 1.00 0.69 H new ATOM 0 HG2 GLU A 90 6.370 3.559 4.783 1.00 1.28 H new ATOM 0 HG3 GLU A 90 5.675 1.954 4.683 1.00 1.28 H new ATOM 1599 N ILE A 91 6.767 2.098 0.029 1.00 0.47 N ATOM 1600 CA ILE A 91 7.421 2.108 -1.277 1.00 0.46 C ATOM 1601 C ILE A 91 6.613 2.919 -2.298 1.00 0.47 C ATOM 1602 O ILE A 91 7.169 3.725 -3.049 1.00 0.51 O ATOM 1603 CB ILE A 91 7.641 0.668 -1.805 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.461 -0.152 -0.794 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.344 0.700 -3.154 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.619 -1.621 -1.154 1.00 0.45 C ATOM 0 H ILE A 91 6.511 1.168 0.362 1.00 0.47 H new ATOM 0 HA ILE A 91 8.393 2.584 -1.146 1.00 0.46 H new ATOM 0 HB ILE A 91 6.669 0.192 -1.932 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.451 0.295 -0.701 1.00 0.43 H new ATOM 0 HG13 ILE A 91 7.985 -0.080 0.184 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.491 -0.319 -3.512 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.734 1.251 -3.869 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.311 1.191 -3.049 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.210 -2.122 -0.387 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.636 -2.088 -1.217 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.124 -1.708 -2.116 1.00 0.45 H new ATOM 1613 N ALA A 92 5.301 2.721 -2.302 1.00 0.47 N ATOM 1614 CA ALA A 92 4.412 3.444 -3.204 1.00 0.53 C ATOM 1615 C ALA A 92 4.360 4.928 -2.854 1.00 0.60 C ATOM 1616 O ALA A 92 4.452 5.792 -3.729 1.00 0.64 O ATOM 1617 CB ALA A 92 3.014 2.844 -3.153 1.00 0.56 C ATOM 0 H ALA A 92 4.826 2.061 -1.686 1.00 0.47 H new ATOM 0 HA ALA A 92 4.806 3.349 -4.216 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.358 3.391 -3.830 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.056 1.798 -3.455 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.625 2.913 -2.137 1.00 0.56 H new ATOM 1623 N ARG A 93 4.208 5.227 -1.572 1.00 0.66 N ATOM 1624 CA ARG A 93 4.116 6.612 -1.125 1.00 0.77 C ATOM 1625 C ARG A 93 5.440 7.350 -1.293 1.00 0.68 C ATOM 1626 O ARG A 93 5.451 8.569 -1.462 1.00 0.68 O ATOM 1627 CB ARG A 93 3.628 6.702 0.322 1.00 0.99 C ATOM 1628 CG ARG A 93 2.138 6.435 0.466 1.00 1.55 C ATOM 1629 CD ARG A 93 1.666 6.620 1.900 1.00 1.83 C ATOM 1630 NE ARG A 93 0.209 6.512 2.010 1.00 2.71 N ATOM 1631 CZ ARG A 93 -0.473 6.782 3.122 1.00 3.44 C ATOM 1632 NH1 ARG A 93 0.171 7.068 4.245 1.00 3.55 N ATOM 1633 NH2 ARG A 93 -1.802 6.738 3.119 1.00 4.42 N ATOM 0 H ARG A 93 4.146 4.535 -0.826 1.00 0.66 H new ATOM 0 HA ARG A 93 3.379 7.102 -1.762 1.00 0.77 H new ATOM 0 HB2 ARG A 93 4.180 5.986 0.931 1.00 0.99 H new ATOM 0 HB3 ARG A 93 3.853 7.694 0.714 1.00 0.99 H new ATOM 0 HG2 ARG A 93 1.584 7.107 -0.189 1.00 1.55 H new ATOM 0 HG3 ARG A 93 1.918 5.419 0.139 1.00 1.55 H new ATOM 0 HD2 ARG A 93 2.135 5.870 2.537 1.00 1.83 H new ATOM 0 HD3 ARG A 93 1.987 7.595 2.266 1.00 1.83 H new ATOM 0 HE ARG A 93 -0.314 6.213 1.187 1.00 2.71 H new ATOM 0 HH11 ARG A 93 1.191 7.082 4.259 1.00 3.55 H new ATOM 0 HH12 ARG A 93 -0.353 7.274 5.095 1.00 3.55 H new ATOM 0 HH21 ARG A 93 -2.302 6.497 2.263 1.00 4.42 H new ATOM 0 HH22 ARG A 93 -2.321 6.945 3.972 1.00 4.42 H new ATOM 1647 N GLY A 94 6.545 6.613 -1.280 1.00 0.66 N ATOM 1648 CA GLY A 94 7.849 7.224 -1.457 1.00 0.65 C ATOM 1649 C GLY A 94 8.051 7.733 -2.870 1.00 0.56 C ATOM 1650 O GLY A 94 8.663 8.780 -3.082 1.00 0.56 O ATOM 0 H GLY A 94 6.561 5.601 -1.150 1.00 0.66 H new ATOM 0 HA2 GLY A 94 7.960 8.050 -0.755 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.625 6.497 -1.219 1.00 0.65 H new ATOM 1654 N ILE A 95 7.517 6.998 -3.839 1.00 0.52 N ATOM 1655 CA ILE A 95 7.616 7.377 -5.243 1.00 0.48 C ATOM 1656 C ILE A 95 6.994 8.748 -5.488 1.00 0.47 C ATOM 1657 O ILE A 95 7.550 9.577 -6.208 1.00 0.49 O ATOM 1658 CB ILE A 95 6.935 6.325 -6.149 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.669 4.988 -6.049 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.878 6.794 -7.595 1.00 0.52 C ATOM 1661 CD1 ILE A 95 9.120 5.052 -6.478 1.00 0.55 C ATOM 0 H ILE A 95 7.007 6.130 -3.675 1.00 0.52 H new ATOM 0 HA ILE A 95 8.676 7.425 -5.494 1.00 0.48 H new ATOM 0 HB ILE A 95 5.910 6.193 -5.802 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.620 4.634 -5.019 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.150 4.253 -6.664 1.00 0.53 H new ATOM 0 HG21 ILE A 95 6.394 6.032 -8.206 1.00 0.52 H new ATOM 0 HG22 ILE A 95 6.310 7.722 -7.654 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.890 6.964 -7.962 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.573 4.065 -6.379 1.00 0.55 H new ATOM 0 HD12 ILE A 95 9.178 5.375 -7.517 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.655 5.762 -5.847 1.00 0.55 H new ATOM 1668 N LYS A 96 5.859 8.998 -4.859 1.00 0.50 N ATOM 1669 CA LYS A 96 5.166 10.270 -5.028 1.00 0.54 C ATOM 1670 C LYS A 96 5.517 11.227 -3.901 1.00 0.57 C ATOM 1671 O LYS A 96 4.820 12.205 -3.661 1.00 0.83 O ATOM 1672 CB LYS A 96 3.652 10.079 -5.124 1.00 0.64 C ATOM 1673 CG LYS A 96 3.202 9.353 -6.381 1.00 1.47 C ATOM 1674 CD LYS A 96 3.417 7.847 -6.301 1.00 1.78 C ATOM 1675 CE LYS A 96 2.260 7.141 -5.613 1.00 1.90 C ATOM 1676 NZ LYS A 96 2.210 7.400 -4.150 1.00 2.70 N ATOM 0 H LYS A 96 5.397 8.343 -4.229 1.00 0.50 H new ATOM 0 HA LYS A 96 5.502 10.705 -5.969 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.310 9.522 -4.252 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.169 11.056 -5.088 1.00 0.64 H new ATOM 0 HG2 LYS A 96 2.145 9.556 -6.554 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.747 9.748 -7.238 1.00 1.47 H new ATOM 0 HD2 LYS A 96 3.540 7.445 -7.307 1.00 1.78 H new ATOM 0 HD3 LYS A 96 4.340 7.641 -5.760 1.00 1.78 H new ATOM 0 HE2 LYS A 96 1.323 7.464 -6.066 1.00 1.90 H new ATOM 0 HE3 LYS A 96 2.343 6.068 -5.784 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 1.604 6.690 -3.692 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 3.170 7.342 -3.754 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 1.821 8.349 -3.979 1.00 2.70 H new ATOM 1690 N ALA A 97 6.604 10.927 -3.216 1.00 0.50 N ATOM 1691 CA ALA A 97 7.195 11.850 -2.264 1.00 0.53 C ATOM 1692 C ALA A 97 8.406 12.506 -2.897 1.00 0.46 C ATOM 1693 O ALA A 97 8.684 13.681 -2.669 1.00 0.48 O ATOM 1694 CB ALA A 97 7.584 11.122 -0.985 1.00 0.63 C ATOM 0 H ALA A 97 7.101 10.041 -3.303 1.00 0.50 H new ATOM 0 HA ALA A 97 6.466 12.617 -2.002 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.025 11.830 -0.283 1.00 0.63 H new ATOM 0 HB2 ALA A 97 6.697 10.673 -0.538 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.309 10.341 -1.217 1.00 0.63 H new ATOM 1700 N ARG A 98 9.107 11.741 -3.725 1.00 0.41 N ATOM 1701 CA ARG A 98 10.219 12.281 -4.489 1.00 0.44 C ATOM 1702 C ARG A 98 9.702 12.950 -5.759 1.00 0.44 C ATOM 1703 O ARG A 98 10.470 13.510 -6.528 1.00 0.53 O ATOM 1704 CB ARG A 98 11.259 11.201 -4.803 1.00 0.51 C ATOM 1705 CG ARG A 98 10.672 9.949 -5.435 1.00 1.02 C ATOM 1706 CD ARG A 98 11.736 8.888 -5.675 1.00 0.81 C ATOM 1707 NE ARG A 98 12.693 9.286 -6.706 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.295 8.427 -7.528 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.098 7.122 -7.394 1.00 1.37 N ATOM 1710 NH2 ARG A 98 14.112 8.875 -8.473 1.00 3.10 N ATOM 0 H ARG A 98 8.925 10.750 -3.883 1.00 0.41 H new ATOM 0 HA ARG A 98 10.722 13.036 -3.884 1.00 0.44 H new ATOM 0 HB2 ARG A 98 12.010 11.617 -5.474 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.772 10.925 -3.882 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.894 9.545 -4.787 1.00 1.02 H new ATOM 0 HG3 ARG A 98 10.196 10.208 -6.381 1.00 1.02 H new ATOM 0 HD2 ARG A 98 12.268 8.693 -4.744 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.256 7.955 -5.969 1.00 0.81 H new ATOM 0 HE ARG A 98 12.912 10.278 -6.802 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.483 6.772 -6.659 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.561 6.469 -8.026 1.00 1.37 H new ATOM 0 HH21 ARG A 98 14.279 9.877 -8.570 1.00 3.10 H new ATOM 0 HH22 ARG A 98 14.573 8.218 -9.102 1.00 3.10 H new ATOM 1724 N TYR A 99 8.395 12.868 -5.974 1.00 0.44 N ATOM 1725 CA TYR A 99 7.733 13.731 -6.946 1.00 0.50 C ATOM 1726 C TYR A 99 7.488 15.103 -6.325 1.00 0.54 C ATOM 1727 O TYR A 99 7.667 16.134 -6.968 1.00 0.64 O ATOM 1728 CB TYR A 99 6.404 13.132 -7.408 1.00 0.53 C ATOM 1729 CG TYR A 99 6.460 12.490 -8.776 1.00 0.59 C ATOM 1730 CD1 TYR A 99 6.935 13.199 -9.873 1.00 0.73 C ATOM 1731 CD2 TYR A 99 6.026 11.185 -8.977 1.00 0.60 C ATOM 1732 CE1 TYR A 99 6.977 12.628 -11.128 1.00 0.85 C ATOM 1733 CE2 TYR A 99 6.068 10.606 -10.232 1.00 0.71 C ATOM 1734 CZ TYR A 99 6.543 11.334 -11.303 1.00 0.83 C ATOM 1735 OH TYR A 99 6.591 10.764 -12.556 1.00 0.97 O ATOM 0 H TYR A 99 7.775 12.217 -5.492 1.00 0.44 H new ATOM 0 HA TYR A 99 8.383 13.826 -7.816 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.081 12.386 -6.681 1.00 0.53 H new ATOM 0 HB3 TYR A 99 5.647 13.917 -7.417 1.00 0.53 H new ATOM 0 HD1 TYR A 99 7.277 14.215 -9.741 1.00 0.73 H new ATOM 0 HD2 TYR A 99 5.650 10.615 -8.140 1.00 0.60 H new ATOM 0 HE1 TYR A 99 7.349 13.194 -11.969 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.731 9.590 -10.373 1.00 0.71 H new ATOM 0 HH TYR A 99 6.250 9.846 -12.511 1.00 0.97 H new ATOM 1745 N TYR A 100 7.097 15.097 -5.053 1.00 0.51 N ATOM 1746 CA TYR A 100 6.788 16.329 -4.337 1.00 0.58 C ATOM 1747 C TYR A 100 8.030 17.174 -4.095 1.00 0.58 C ATOM 1748 O TYR A 100 7.959 18.401 -4.074 1.00 0.71 O ATOM 1749 CB TYR A 100 6.113 16.033 -3.002 1.00 0.57 C ATOM 1750 CG TYR A 100 4.603 16.025 -3.060 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.904 17.088 -3.611 1.00 1.03 C ATOM 1752 CD2 TYR A 100 3.879 14.938 -2.586 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.527 17.072 -3.685 1.00 1.26 C ATOM 1754 CE2 TYR A 100 2.502 14.914 -2.659 1.00 1.16 C ATOM 1755 CZ TYR A 100 1.827 16.038 -3.128 1.00 1.21 C ATOM 1756 OH TYR A 100 0.456 15.961 -3.281 1.00 1.48 O ATOM 0 H TYR A 100 6.987 14.249 -4.497 1.00 0.51 H new ATOM 0 HA TYR A 100 6.105 16.894 -4.971 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.457 15.064 -2.641 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.434 16.777 -2.273 1.00 0.57 H new ATOM 0 HD1 TYR A 100 4.447 17.942 -3.988 1.00 1.03 H new ATOM 0 HD2 TYR A 100 4.403 14.098 -2.153 1.00 0.97 H new ATOM 0 HE1 TYR A 100 2.003 17.875 -4.182 1.00 1.26 H new ATOM 0 HE2 TYR A 100 1.954 14.034 -2.356 1.00 1.16 H new ATOM 0 HH TYR A 100 0.241 15.799 -4.223 1.00 1.48 H new ATOM 1766 N THR A 101 9.166 16.512 -3.913 1.00 0.55 N ATOM 1767 CA THR A 101 10.421 17.194 -3.636 1.00 0.66 C ATOM 1768 C THR A 101 10.882 18.050 -4.816 1.00 0.71 C ATOM 1769 O THR A 101 11.759 18.905 -4.673 1.00 0.71 O ATOM 1770 CB THR A 101 11.522 16.177 -3.285 1.00 0.71 C ATOM 1771 OG1 THR A 101 11.523 15.100 -4.230 1.00 0.65 O ATOM 1772 CG2 THR A 101 11.314 15.631 -1.877 1.00 0.87 C ATOM 0 H THR A 101 9.242 15.496 -3.953 1.00 0.55 H new ATOM 0 HA THR A 101 10.243 17.853 -2.786 1.00 0.66 H new ATOM 0 HB THR A 101 12.485 16.685 -3.326 1.00 0.71 H new ATOM 0 HG1 THR A 101 12.249 14.477 -4.016 1.00 0.65 H new ATOM 0 HG21 THR A 101 12.101 14.913 -1.645 1.00 0.87 H new ATOM 0 HG22 THR A 101 11.348 16.451 -1.160 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.344 15.137 -1.818 1.00 0.87 H new ATOM 1780 N GLY A 102 10.285 17.815 -5.978 1.00 0.82 N ATOM 1781 CA GLY A 102 10.678 18.524 -7.178 1.00 0.95 C ATOM 1782 C GLY A 102 11.436 17.631 -8.136 1.00 0.95 C ATOM 1783 O GLY A 102 12.031 18.106 -9.105 1.00 1.16 O ATOM 0 H GLY A 102 9.531 17.141 -6.110 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.791 18.919 -7.674 1.00 0.95 H new ATOM 0 HA3 GLY A 102 11.299 19.378 -6.908 1.00 0.95 H new ATOM 1787 N ASN A 103 11.430 16.338 -7.853 1.00 0.82 N ATOM 1788 CA ASN A 103 12.106 15.359 -8.693 1.00 0.89 C ATOM 1789 C ASN A 103 11.078 14.523 -9.444 1.00 0.98 C ATOM 1790 O ASN A 103 9.886 14.588 -9.153 1.00 1.83 O ATOM 1791 CB ASN A 103 12.995 14.440 -7.847 1.00 0.90 C ATOM 1792 CG ASN A 103 14.125 15.170 -7.148 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.651 16.162 -7.651 1.00 1.76 O ATOM 1794 ND2 ASN A 103 14.505 14.687 -5.977 1.00 1.65 N ATOM 0 H ASN A 103 10.960 15.938 -7.041 1.00 0.82 H new ATOM 0 HA ASN A 103 12.734 15.893 -9.406 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.379 13.939 -7.100 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.415 13.664 -8.487 1.00 0.90 H new ATOM 0 HD21 ASN A 103 15.258 15.139 -5.459 1.00 1.65 H new ATOM 0 HD22 ASN A 103 14.045 13.862 -5.592 1.00 1.65 H new ATOM 1801 N GLU A 104 11.535 13.742 -10.409 1.00 0.56 N ATOM 1802 CA GLU A 104 10.644 12.869 -11.157 1.00 0.56 C ATOM 1803 C GLU A 104 11.218 11.467 -11.278 1.00 0.49 C ATOM 1804 O GLU A 104 12.151 11.246 -12.053 1.00 0.55 O ATOM 1805 CB GLU A 104 10.397 13.405 -12.562 1.00 0.67 C ATOM 1806 CG GLU A 104 9.683 14.737 -12.614 1.00 0.80 C ATOM 1807 CD GLU A 104 9.202 15.041 -14.009 1.00 1.15 C ATOM 1808 OE1 GLU A 104 10.042 15.363 -14.874 1.00 1.17 O ATOM 1809 OE2 GLU A 104 7.976 15.004 -14.241 1.00 1.75 O ATOM 0 H GLU A 104 12.514 13.694 -10.692 1.00 0.56 H new ATOM 0 HA GLU A 104 9.705 12.836 -10.604 1.00 0.56 H new ATOM 0 HB2 GLU A 104 11.355 13.502 -13.073 1.00 0.67 H new ATOM 0 HB3 GLU A 104 9.812 12.673 -13.118 1.00 0.67 H new ATOM 0 HG2 GLU A 104 8.836 14.726 -11.928 1.00 0.80 H new ATOM 0 HG3 GLU A 104 10.355 15.527 -12.278 1.00 0.80 H new ATOM 1816 N PRO A 105 10.690 10.500 -10.515 1.00 0.44 N ATOM 1817 CA PRO A 105 11.051 9.095 -10.695 1.00 0.44 C ATOM 1818 C PRO A 105 10.689 8.621 -12.105 1.00 0.42 C ATOM 1819 O PRO A 105 9.630 8.983 -12.627 1.00 0.47 O ATOM 1820 CB PRO A 105 10.204 8.359 -9.646 1.00 0.48 C ATOM 1821 CG PRO A 105 9.151 9.328 -9.229 1.00 0.53 C ATOM 1822 CD PRO A 105 9.741 10.693 -9.407 1.00 0.49 C ATOM 0 HA PRO A 105 12.120 8.917 -10.576 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.761 7.455 -10.064 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.813 8.052 -8.796 1.00 0.48 H new ATOM 0 HG2 PRO A 105 8.253 9.211 -9.835 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.859 9.163 -8.192 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.979 11.433 -9.652 1.00 0.49 H new ATOM 0 HD3 PRO A 105 10.241 11.038 -8.502 1.00 0.49 H new ATOM 1830 N THR A 106 11.546 7.828 -12.726 1.00 0.42 N ATOM 1831 CA THR A 106 11.280 7.356 -14.074 1.00 0.42 C ATOM 1832 C THR A 106 10.382 6.119 -14.022 1.00 0.39 C ATOM 1833 O THR A 106 10.058 5.645 -12.931 1.00 0.41 O ATOM 1834 CB THR A 106 12.588 7.057 -14.847 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.300 6.700 -16.208 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.372 5.940 -14.183 1.00 1.05 C ATOM 0 H THR A 106 12.424 7.500 -12.323 1.00 0.42 H new ATOM 0 HA THR A 106 10.764 8.149 -14.616 1.00 0.42 H new ATOM 0 HB THR A 106 13.193 7.963 -14.835 1.00 0.50 H new ATOM 0 HG1 THR A 106 13.138 6.516 -16.682 1.00 1.48 H new ATOM 0 HG21 THR A 106 14.285 5.751 -14.747 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.628 6.231 -13.164 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.766 5.034 -14.160 1.00 1.05 H new ATOM 1844 N LYS A 107 9.978 5.589 -15.170 1.00 0.39 N ATOM 1845 CA LYS A 107 9.056 4.457 -15.180 1.00 0.39 C ATOM 1846 C LYS A 107 9.698 3.234 -14.529 1.00 0.36 C ATOM 1847 O LYS A 107 9.010 2.371 -13.979 1.00 0.38 O ATOM 1848 CB LYS A 107 8.569 4.149 -16.604 1.00 0.43 C ATOM 1849 CG LYS A 107 9.652 3.712 -17.584 1.00 1.33 C ATOM 1850 CD LYS A 107 9.826 2.200 -17.600 1.00 1.66 C ATOM 1851 CE LYS A 107 10.731 1.751 -18.738 1.00 2.22 C ATOM 1852 NZ LYS A 107 12.118 2.261 -18.590 1.00 2.88 N ATOM 0 H LYS A 107 10.267 5.917 -16.092 1.00 0.39 H new ATOM 0 HA LYS A 107 8.179 4.727 -14.591 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.814 3.365 -16.550 1.00 0.43 H new ATOM 0 HB3 LYS A 107 8.079 5.037 -17.002 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.397 4.059 -18.585 1.00 1.33 H new ATOM 0 HG3 LYS A 107 10.597 4.183 -17.315 1.00 1.33 H new ATOM 0 HD2 LYS A 107 10.246 1.872 -16.649 1.00 1.66 H new ATOM 0 HD3 LYS A 107 8.851 1.722 -17.700 1.00 1.66 H new ATOM 0 HE2 LYS A 107 10.749 0.662 -18.777 1.00 2.22 H new ATOM 0 HE3 LYS A 107 10.318 2.097 -19.686 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 12.701 1.915 -19.379 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 12.108 3.301 -18.596 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 12.518 1.924 -17.691 1.00 2.88 H new ATOM 1866 N ASP A 108 11.027 3.188 -14.563 1.00 0.36 N ATOM 1867 CA ASP A 108 11.770 2.106 -13.929 1.00 0.38 C ATOM 1868 C ASP A 108 11.605 2.177 -12.415 1.00 0.36 C ATOM 1869 O ASP A 108 11.523 1.152 -11.744 1.00 0.38 O ATOM 1870 CB ASP A 108 13.258 2.162 -14.289 1.00 0.47 C ATOM 1871 CG ASP A 108 14.023 0.968 -13.750 1.00 1.29 C ATOM 1872 OD1 ASP A 108 13.964 -0.113 -14.375 1.00 1.26 O ATOM 1873 OD2 ASP A 108 14.676 1.096 -12.695 1.00 2.24 O ATOM 0 H ASP A 108 11.610 3.887 -15.023 1.00 0.36 H new ATOM 0 HA ASP A 108 11.366 1.163 -14.298 1.00 0.38 H new ATOM 0 HB2 ASP A 108 13.367 2.202 -15.373 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.692 3.079 -13.891 1.00 0.47 H new ATOM 1878 N ASP A 109 11.534 3.398 -11.894 1.00 0.36 N ATOM 1879 CA ASP A 109 11.341 3.615 -10.465 1.00 0.37 C ATOM 1880 C ASP A 109 9.991 3.076 -10.020 1.00 0.34 C ATOM 1881 O ASP A 109 9.892 2.393 -9.003 1.00 0.36 O ATOM 1882 CB ASP A 109 11.435 5.103 -10.114 1.00 0.39 C ATOM 1883 CG ASP A 109 12.850 5.645 -10.193 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.666 5.330 -9.301 1.00 0.94 O ATOM 1885 OD2 ASP A 109 13.149 6.410 -11.128 1.00 1.73 O ATOM 0 H ASP A 109 11.608 4.255 -12.443 1.00 0.36 H new ATOM 0 HA ASP A 109 12.134 3.080 -9.942 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.797 5.671 -10.791 1.00 0.39 H new ATOM 0 HB3 ASP A 109 11.049 5.258 -9.107 1.00 0.39 H new ATOM 1890 N LEU A 110 8.952 3.383 -10.793 1.00 0.30 N ATOM 1891 CA LEU A 110 7.604 2.898 -10.503 1.00 0.30 C ATOM 1892 C LEU A 110 7.534 1.388 -10.661 1.00 0.29 C ATOM 1893 O LEU A 110 6.957 0.696 -9.824 1.00 0.33 O ATOM 1894 CB LEU A 110 6.560 3.557 -11.417 1.00 0.30 C ATOM 1895 CG LEU A 110 6.102 4.959 -11.006 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.277 5.912 -10.941 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.047 5.478 -11.972 1.00 0.82 C ATOM 0 H LEU A 110 9.018 3.967 -11.627 1.00 0.30 H new ATOM 0 HA LEU A 110 7.378 3.166 -9.471 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.970 3.611 -12.425 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.685 2.909 -11.463 1.00 0.30 H new ATOM 0 HG LEU A 110 5.661 4.896 -10.011 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.927 6.902 -10.647 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.999 5.550 -10.209 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.752 5.971 -11.920 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.732 6.476 -11.665 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.465 5.522 -12.978 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.187 4.808 -11.966 1.00 0.82 H new ATOM 1909 N LYS A 111 8.133 0.883 -11.731 1.00 0.28 N ATOM 1910 CA LYS A 111 8.179 -0.531 -11.988 1.00 0.31 C ATOM 1911 C LYS A 111 8.876 -1.257 -10.844 1.00 0.33 C ATOM 1912 O LYS A 111 8.412 -2.298 -10.395 1.00 0.35 O ATOM 1913 CB LYS A 111 8.899 -0.768 -13.310 1.00 0.37 C ATOM 1914 CG LYS A 111 9.137 -2.221 -13.608 1.00 0.93 C ATOM 1915 CD LYS A 111 9.897 -2.422 -14.912 1.00 0.92 C ATOM 1916 CE LYS A 111 9.129 -1.880 -16.110 1.00 1.02 C ATOM 1917 NZ LYS A 111 7.831 -2.579 -16.303 1.00 1.74 N ATOM 0 H LYS A 111 8.598 1.451 -12.439 1.00 0.28 H new ATOM 0 HA LYS A 111 7.166 -0.927 -12.058 1.00 0.31 H new ATOM 0 HB2 LYS A 111 8.313 -0.330 -14.118 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.856 -0.247 -13.292 1.00 0.37 H new ATOM 0 HG2 LYS A 111 9.698 -2.671 -12.789 1.00 0.93 H new ATOM 0 HG3 LYS A 111 8.180 -2.741 -13.663 1.00 0.93 H new ATOM 0 HD2 LYS A 111 10.865 -1.925 -14.847 1.00 0.92 H new ATOM 0 HD3 LYS A 111 10.093 -3.484 -15.057 1.00 0.92 H new ATOM 0 HE2 LYS A 111 8.949 -0.814 -15.973 1.00 1.02 H new ATOM 0 HE3 LYS A 111 9.736 -1.988 -17.009 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 7.364 -2.215 -17.158 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 7.999 -3.600 -16.409 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 7.221 -2.412 -15.478 1.00 1.74 H new ATOM 1931 N ALA A 112 9.977 -0.689 -10.366 1.00 0.36 N ATOM 1932 CA ALA A 112 10.702 -1.251 -9.232 1.00 0.42 C ATOM 1933 C ALA A 112 9.883 -1.132 -7.952 1.00 0.43 C ATOM 1934 O ALA A 112 9.831 -2.067 -7.155 1.00 0.47 O ATOM 1935 CB ALA A 112 12.046 -0.562 -9.066 1.00 0.46 C ATOM 0 H ALA A 112 10.388 0.163 -10.747 1.00 0.36 H new ATOM 0 HA ALA A 112 10.875 -2.309 -9.430 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.574 -0.994 -8.215 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.640 -0.700 -9.970 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.890 0.503 -8.894 1.00 0.46 H new ATOM 1941 N SER A 113 9.250 0.021 -7.765 1.00 0.41 N ATOM 1942 CA SER A 113 8.397 0.262 -6.607 1.00 0.45 C ATOM 1943 C SER A 113 7.349 -0.831 -6.462 1.00 0.40 C ATOM 1944 O SER A 113 7.206 -1.427 -5.392 1.00 0.44 O ATOM 1945 CB SER A 113 7.712 1.624 -6.734 1.00 0.54 C ATOM 1946 OG SER A 113 6.891 1.912 -5.615 1.00 1.34 O ATOM 0 H SER A 113 9.313 0.811 -8.408 1.00 0.41 H new ATOM 0 HA SER A 113 9.026 0.255 -5.716 1.00 0.45 H new ATOM 0 HB2 SER A 113 8.468 2.402 -6.838 1.00 0.54 H new ATOM 0 HB3 SER A 113 7.108 1.643 -7.641 1.00 0.54 H new ATOM 0 HG SER A 113 6.145 2.482 -5.895 1.00 1.34 H new ATOM 1952 N VAL A 114 6.634 -1.130 -7.541 1.00 0.36 N ATOM 1953 CA VAL A 114 5.575 -2.112 -7.476 1.00 0.36 C ATOM 1954 C VAL A 114 6.175 -3.515 -7.490 1.00 0.35 C ATOM 1955 O VAL A 114 5.598 -4.465 -6.970 1.00 0.37 O ATOM 1956 CB VAL A 114 4.572 -1.938 -8.644 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.176 -0.477 -8.801 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.126 -2.476 -9.952 1.00 0.56 C ATOM 0 H VAL A 114 6.771 -0.708 -8.459 1.00 0.36 H new ATOM 0 HA VAL A 114 5.025 -1.965 -6.547 1.00 0.36 H new ATOM 0 HB VAL A 114 3.685 -2.520 -8.396 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.471 -0.378 -9.627 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.709 -0.126 -7.881 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.064 0.120 -9.008 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.391 -2.334 -10.744 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.041 -1.942 -10.206 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.344 -3.539 -9.845 1.00 0.56 H new ATOM 1962 N LYS A 115 7.358 -3.621 -8.079 1.00 0.35 N ATOM 1963 CA LYS A 115 8.089 -4.871 -8.159 1.00 0.37 C ATOM 1964 C LYS A 115 8.404 -5.407 -6.778 1.00 0.35 C ATOM 1965 O LYS A 115 8.269 -6.603 -6.532 1.00 0.37 O ATOM 1966 CB LYS A 115 9.385 -4.650 -8.935 1.00 0.48 C ATOM 1967 CG LYS A 115 10.069 -5.919 -9.396 1.00 0.84 C ATOM 1968 CD LYS A 115 11.306 -5.589 -10.213 1.00 0.81 C ATOM 1969 CE LYS A 115 11.954 -6.833 -10.795 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.460 -7.753 -9.742 1.00 1.72 N ATOM 0 H LYS A 115 7.838 -2.835 -8.517 1.00 0.35 H new ATOM 0 HA LYS A 115 7.468 -5.604 -8.674 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.170 -4.032 -9.807 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.077 -4.087 -8.308 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.347 -6.524 -8.533 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.379 -6.515 -9.994 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.036 -4.910 -11.021 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.026 -5.066 -9.584 1.00 0.81 H new ATOM 0 HE2 LYS A 115 11.230 -7.360 -11.417 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.779 -6.540 -11.445 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 12.968 -8.544 -10.187 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 13.107 -7.237 -9.112 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 11.660 -8.122 -9.190 1.00 1.72 H new ATOM 1984 N GLU A 116 8.814 -4.529 -5.873 1.00 0.36 N ATOM 1985 CA GLU A 116 9.194 -4.964 -4.539 1.00 0.38 C ATOM 1986 C GLU A 116 7.961 -5.342 -3.730 1.00 0.37 C ATOM 1987 O GLU A 116 7.984 -6.315 -2.988 1.00 0.38 O ATOM 1988 CB GLU A 116 10.013 -3.902 -3.805 1.00 0.43 C ATOM 1989 CG GLU A 116 11.166 -3.344 -4.619 1.00 0.80 C ATOM 1990 CD GLU A 116 12.026 -2.387 -3.822 1.00 1.30 C ATOM 1991 OE1 GLU A 116 11.557 -1.269 -3.532 1.00 2.27 O ATOM 1992 OE2 GLU A 116 13.169 -2.744 -3.476 1.00 1.32 O ATOM 0 H GLU A 116 8.891 -3.525 -6.036 1.00 0.36 H new ATOM 0 HA GLU A 116 9.827 -5.845 -4.650 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.354 -3.083 -3.518 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.406 -4.333 -2.884 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.783 -4.166 -4.981 1.00 0.80 H new ATOM 0 HG3 GLU A 116 10.773 -2.830 -5.496 1.00 0.80 H new ATOM 1999 N VAL A 117 6.872 -4.608 -3.894 1.00 0.36 N ATOM 2000 CA VAL A 117 5.645 -4.935 -3.179 1.00 0.38 C ATOM 2001 C VAL A 117 5.081 -6.275 -3.670 1.00 0.38 C ATOM 2002 O VAL A 117 4.538 -7.049 -2.887 1.00 0.43 O ATOM 2003 CB VAL A 117 4.583 -3.811 -3.283 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.224 -2.456 -3.043 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.859 -3.826 -4.611 1.00 0.78 C ATOM 0 H VAL A 117 6.810 -3.794 -4.505 1.00 0.36 H new ATOM 0 HA VAL A 117 5.899 -5.027 -2.123 1.00 0.38 H new ATOM 0 HB VAL A 117 3.838 -3.998 -2.510 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.466 -1.676 -3.119 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.668 -2.435 -2.048 1.00 0.81 H new ATOM 0 HG13 VAL A 117 5.999 -2.283 -3.790 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.126 -3.020 -4.635 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.578 -3.687 -5.419 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.351 -4.782 -4.738 1.00 0.78 H new ATOM 2009 N LEU A 118 5.241 -6.569 -4.954 1.00 0.36 N ATOM 2010 CA LEU A 118 4.896 -7.884 -5.480 1.00 0.36 C ATOM 2011 C LEU A 118 5.900 -8.920 -5.004 1.00 0.36 C ATOM 2012 O LEU A 118 5.541 -10.065 -4.730 1.00 0.38 O ATOM 2013 CB LEU A 118 4.889 -7.860 -7.011 1.00 0.41 C ATOM 2014 CG LEU A 118 3.586 -7.445 -7.698 1.00 0.49 C ATOM 2015 CD1 LEU A 118 2.531 -8.527 -7.560 1.00 1.21 C ATOM 2016 CD2 LEU A 118 3.064 -6.132 -7.157 1.00 0.88 C ATOM 0 H LEU A 118 5.606 -5.917 -5.649 1.00 0.36 H new ATOM 0 HA LEU A 118 3.902 -8.146 -5.118 1.00 0.36 H new ATOM 0 HB2 LEU A 118 5.676 -7.182 -7.342 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.156 -8.856 -7.366 1.00 0.41 H new ATOM 0 HG LEU A 118 3.809 -7.308 -8.756 1.00 0.49 H new ATOM 0 HD11 LEU A 118 1.615 -8.207 -8.057 1.00 1.21 H new ATOM 0 HD12 LEU A 118 2.891 -9.447 -8.020 1.00 1.21 H new ATOM 0 HD13 LEU A 118 2.328 -8.705 -6.504 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.138 -5.870 -7.669 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.873 -6.229 -6.088 1.00 0.88 H new ATOM 0 HD23 LEU A 118 3.804 -5.350 -7.324 1.00 0.88 H new ATOM 2028 N LYS A 119 7.154 -8.499 -4.892 1.00 0.36 N ATOM 2029 CA LYS A 119 8.228 -9.368 -4.460 1.00 0.37 C ATOM 2030 C LYS A 119 7.907 -9.897 -3.076 1.00 0.36 C ATOM 2031 O LYS A 119 8.126 -11.071 -2.776 1.00 0.38 O ATOM 2032 CB LYS A 119 9.545 -8.584 -4.463 1.00 0.39 C ATOM 2033 CG LYS A 119 10.759 -9.409 -4.106 1.00 0.43 C ATOM 2034 CD LYS A 119 11.174 -9.221 -2.651 1.00 0.67 C ATOM 2035 CE LYS A 119 11.720 -7.822 -2.387 1.00 0.57 C ATOM 2036 NZ LYS A 119 12.989 -7.569 -3.121 1.00 0.95 N ATOM 0 H LYS A 119 7.449 -7.545 -5.099 1.00 0.36 H new ATOM 0 HA LYS A 119 8.333 -10.214 -5.139 1.00 0.37 H new ATOM 0 HB2 LYS A 119 9.693 -8.149 -5.451 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.463 -7.756 -3.759 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.547 -10.462 -4.289 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.588 -9.133 -4.757 1.00 0.43 H new ATOM 0 HD2 LYS A 119 10.316 -9.403 -2.003 1.00 0.67 H new ATOM 0 HD3 LYS A 119 11.932 -9.960 -2.392 1.00 0.67 H new ATOM 0 HE2 LYS A 119 10.977 -7.081 -2.683 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.889 -7.695 -1.318 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.447 -6.717 -2.739 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 13.625 -8.384 -3.007 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 12.784 -7.429 -4.131 1.00 0.95 H new ATOM 2050 N LEU A 120 7.377 -9.015 -2.244 1.00 0.36 N ATOM 2051 CA LEU A 120 6.878 -9.391 -0.947 1.00 0.37 C ATOM 2052 C LEU A 120 5.581 -10.183 -1.048 1.00 0.36 C ATOM 2053 O LEU A 120 5.487 -11.291 -0.519 1.00 0.38 O ATOM 2054 CB LEU A 120 6.650 -8.151 -0.087 1.00 0.39 C ATOM 2055 CG LEU A 120 7.889 -7.625 0.628 1.00 0.42 C ATOM 2056 CD1 LEU A 120 8.910 -7.101 -0.354 1.00 1.06 C ATOM 2057 CD2 LEU A 120 7.509 -6.555 1.636 1.00 0.99 C ATOM 0 H LEU A 120 7.284 -8.022 -2.456 1.00 0.36 H new ATOM 0 HA LEU A 120 7.631 -10.028 -0.483 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.250 -7.358 -0.719 1.00 0.39 H new ATOM 0 HB3 LEU A 120 5.889 -8.380 0.659 1.00 0.39 H new ATOM 0 HG LEU A 120 8.345 -8.457 1.164 1.00 0.42 H new ATOM 0 HD11 LEU A 120 9.781 -6.733 0.188 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.213 -7.903 -1.027 1.00 1.06 H new ATOM 0 HD13 LEU A 120 8.473 -6.287 -0.933 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.406 -6.191 2.137 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.020 -5.728 1.122 1.00 0.99 H new ATOM 0 HD23 LEU A 120 6.827 -6.977 2.375 1.00 0.99 H new ATOM 2069 N TYR A 121 4.584 -9.633 -1.746 1.00 0.35 N ATOM 2070 CA TYR A 121 3.232 -10.159 -1.619 1.00 0.36 C ATOM 2071 C TYR A 121 3.099 -11.546 -2.244 1.00 0.38 C ATOM 2072 O TYR A 121 2.396 -12.410 -1.721 1.00 0.41 O ATOM 2073 CB TYR A 121 2.194 -9.177 -2.176 1.00 0.37 C ATOM 2074 CG TYR A 121 0.793 -9.740 -2.285 1.00 0.56 C ATOM 2075 CD1 TYR A 121 -0.021 -9.837 -1.165 1.00 0.84 C ATOM 2076 CD2 TYR A 121 0.282 -10.167 -3.503 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -1.302 -10.345 -1.255 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -1.001 -10.673 -3.602 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.775 -10.785 -2.496 1.00 1.23 C ATOM 2080 OH TYR A 121 -3.066 -11.261 -2.571 1.00 1.54 O ATOM 0 H TYR A 121 4.686 -8.846 -2.387 1.00 0.35 H new ATOM 0 HA TYR A 121 3.028 -10.274 -0.554 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.169 -8.294 -1.538 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.517 -8.847 -3.163 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.354 -9.510 -0.207 1.00 0.84 H new ATOM 0 HD2 TYR A 121 0.897 -10.103 -4.388 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.931 -10.402 -0.379 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -1.387 -10.980 -4.563 1.00 1.05 H new ATOM 0 HH TYR A 121 -3.620 -10.812 -1.899 1.00 1.54 H new ATOM 2090 N LYS A 122 3.788 -11.759 -3.356 1.00 0.40 N ATOM 2091 CA LYS A 122 3.766 -13.049 -4.033 1.00 0.45 C ATOM 2092 C LYS A 122 4.477 -14.113 -3.204 1.00 0.43 C ATOM 2093 O LYS A 122 4.154 -15.299 -3.280 1.00 0.46 O ATOM 2094 CB LYS A 122 4.430 -12.936 -5.406 1.00 0.52 C ATOM 2095 CG LYS A 122 3.647 -12.084 -6.395 1.00 0.60 C ATOM 2096 CD LYS A 122 2.261 -12.657 -6.650 1.00 1.21 C ATOM 2097 CE LYS A 122 1.507 -11.852 -7.694 1.00 1.27 C ATOM 2098 NZ LYS A 122 0.179 -12.441 -7.997 1.00 1.98 N ATOM 0 H LYS A 122 4.370 -11.055 -3.809 1.00 0.40 H new ATOM 0 HA LYS A 122 2.725 -13.346 -4.159 1.00 0.45 H new ATOM 0 HB2 LYS A 122 5.427 -12.512 -5.284 1.00 0.52 H new ATOM 0 HB3 LYS A 122 4.557 -13.935 -5.822 1.00 0.52 H new ATOM 0 HG2 LYS A 122 3.557 -11.068 -6.010 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.194 -12.021 -7.335 1.00 0.60 H new ATOM 0 HD2 LYS A 122 2.350 -13.692 -6.982 1.00 1.21 H new ATOM 0 HD3 LYS A 122 1.694 -12.668 -5.719 1.00 1.21 H new ATOM 0 HE2 LYS A 122 1.378 -10.829 -7.340 1.00 1.27 H new ATOM 0 HE3 LYS A 122 2.098 -11.800 -8.608 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 -0.413 -11.734 -8.478 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 0.299 -13.269 -8.614 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 -0.281 -12.733 -7.111 1.00 1.98 H new ATOM 2112 N ALA A 123 5.442 -13.673 -2.410 1.00 0.42 N ATOM 2113 CA ALA A 123 6.264 -14.567 -1.607 1.00 0.43 C ATOM 2114 C ALA A 123 5.667 -14.810 -0.224 1.00 0.43 C ATOM 2115 O ALA A 123 6.193 -15.614 0.547 1.00 0.70 O ATOM 2116 CB ALA A 123 7.662 -13.990 -1.469 1.00 0.49 C ATOM 0 H ALA A 123 5.677 -12.686 -2.304 1.00 0.42 H new ATOM 0 HA ALA A 123 6.305 -15.528 -2.120 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.275 -14.661 -0.867 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.109 -13.878 -2.457 1.00 0.49 H new ATOM 0 HB3 ALA A 123 7.607 -13.016 -0.983 1.00 0.49 H new ATOM 2122 N MET A 124 4.584 -14.121 0.101 1.00 0.44 N ATOM 2123 CA MET A 124 3.967 -14.285 1.412 1.00 0.42 C ATOM 2124 C MET A 124 3.203 -15.597 1.504 1.00 0.42 C ATOM 2125 O MET A 124 2.854 -16.200 0.483 1.00 0.42 O ATOM 2126 CB MET A 124 3.025 -13.126 1.731 1.00 0.41 C ATOM 2127 CG MET A 124 3.739 -11.853 2.146 1.00 0.45 C ATOM 2128 SD MET A 124 2.685 -10.746 3.103 1.00 0.50 S ATOM 2129 CE MET A 124 1.288 -10.564 2.003 1.00 0.46 C ATOM 0 H MET A 124 4.119 -13.452 -0.513 1.00 0.44 H new ATOM 0 HA MET A 124 4.775 -14.295 2.143 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.411 -12.918 0.855 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.349 -13.429 2.530 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.619 -12.110 2.735 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.093 -11.333 1.256 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.773 -9.629 2.221 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.637 -10.554 0.970 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.601 -11.398 2.146 1.00 0.46 H new ATOM 2139 N SER A 125 2.957 -16.039 2.728 1.00 0.47 N ATOM 2140 CA SER A 125 2.100 -17.183 2.977 1.00 0.54 C ATOM 2141 C SER A 125 0.707 -16.889 2.429 1.00 0.58 C ATOM 2142 O SER A 125 0.184 -15.788 2.593 1.00 0.92 O ATOM 2143 CB SER A 125 2.039 -17.464 4.482 1.00 0.62 C ATOM 2144 OG SER A 125 1.282 -18.627 4.768 1.00 1.18 O ATOM 0 H SER A 125 3.345 -15.616 3.571 1.00 0.47 H new ATOM 0 HA SER A 125 2.501 -18.065 2.478 1.00 0.54 H new ATOM 0 HB2 SER A 125 3.050 -17.583 4.871 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.599 -16.608 4.994 1.00 0.62 H new ATOM 0 HG SER A 125 1.266 -18.777 5.736 1.00 1.18 H new ATOM 2150 N ASP A 126 0.127 -17.888 1.770 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.160 -17.749 1.089 1.00 0.43 C ATOM 2152 C ASP A 126 -2.252 -17.276 2.040 1.00 0.39 C ATOM 2153 O ASP A 126 -3.093 -16.461 1.668 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.569 -19.080 0.450 1.00 0.47 C ATOM 2155 CG ASP A 126 -0.668 -19.470 -0.708 1.00 1.37 C ATOM 2156 OD1 ASP A 126 0.451 -19.969 -0.461 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -1.072 -19.283 -1.876 1.00 1.81 O ATOM 0 H ASP A 126 0.536 -18.819 1.692 1.00 0.44 H new ATOM 0 HA ASP A 126 -1.040 -16.994 0.312 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -1.544 -19.865 1.206 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -2.598 -19.009 0.098 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.236 -17.791 3.264 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.190 -17.367 4.284 1.00 0.37 C ATOM 2164 C ALA A 127 -2.989 -15.896 4.628 1.00 0.33 C ATOM 2165 O ALA A 127 -3.951 -15.161 4.846 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.056 -18.226 5.529 1.00 0.42 C ATOM 0 H ALA A 127 -1.574 -18.502 3.575 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.196 -17.493 3.885 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.775 -17.895 6.278 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.250 -19.268 5.275 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.046 -18.132 5.929 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.730 -15.479 4.652 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.401 -14.093 4.915 1.00 0.31 C ATOM 2174 C GLY A 128 -1.788 -13.202 3.754 1.00 0.29 C ATOM 2175 O GLY A 128 -2.189 -12.056 3.947 1.00 0.30 O ATOM 0 H GLY A 128 -0.924 -16.083 4.492 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.915 -13.761 5.817 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.332 -14.001 5.105 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.680 -13.739 2.541 1.00 0.32 N ATOM 2180 CA LYS A 129 -2.100 -13.018 1.346 1.00 0.39 C ATOM 2181 C LYS A 129 -3.603 -12.794 1.384 1.00 0.35 C ATOM 2182 O LYS A 129 -4.095 -11.699 1.111 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.752 -13.800 0.079 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.266 -14.049 -0.128 1.00 0.58 C ATOM 2185 CD LYS A 129 -0.019 -14.809 -1.423 1.00 0.59 C ATOM 2186 CE LYS A 129 -0.329 -13.951 -2.640 1.00 0.94 C ATOM 2187 NZ LYS A 129 -0.427 -14.753 -3.886 1.00 1.32 N ATOM 0 H LYS A 129 -1.305 -14.671 2.362 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.574 -12.063 1.328 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -2.266 -14.760 0.109 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -2.139 -13.258 -0.784 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.266 -13.098 -0.152 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.133 -14.616 0.713 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.020 -15.136 -1.462 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.636 -15.707 -1.443 1.00 0.59 H new ATOM 0 HE2 LYS A 129 -1.267 -13.420 -2.478 1.00 0.94 H new ATOM 0 HE3 LYS A 129 0.448 -13.196 -2.757 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 0.177 -14.330 -4.620 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 -0.113 -15.726 -3.698 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 -1.414 -14.765 -4.214 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.327 -13.852 1.722 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.775 -13.795 1.821 1.00 0.37 C ATOM 2203 C ALA A 130 -6.196 -12.873 2.954 1.00 0.33 C ATOM 2204 O ALA A 130 -7.204 -12.176 2.855 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.350 -15.189 2.028 1.00 0.42 C ATOM 0 H ALA A 130 -3.929 -14.767 1.934 1.00 0.35 H new ATOM 0 HA ALA A 130 -6.168 -13.394 0.887 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.436 -15.128 2.100 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -6.078 -15.824 1.185 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.949 -15.615 2.948 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.407 -12.859 4.022 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.718 -12.031 5.177 1.00 0.29 C ATOM 2213 C ASP A 131 -5.423 -10.573 4.848 1.00 0.27 C ATOM 2214 O ASP A 131 -6.133 -9.668 5.279 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.931 -12.518 6.401 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.332 -11.837 7.692 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.513 -11.952 8.093 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.480 -11.139 8.283 1.00 0.45 O ATOM 0 H ASP A 131 -4.552 -13.409 4.111 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.777 -12.112 5.421 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.072 -13.593 6.509 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.868 -12.352 6.228 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.394 -10.362 4.035 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.099 -9.045 3.486 1.00 0.22 C ATOM 2225 C PHE A 132 -5.252 -8.565 2.611 1.00 0.23 C ATOM 2226 O PHE A 132 -5.542 -7.372 2.547 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.802 -9.093 2.673 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.499 -7.820 1.937 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -2.005 -6.720 2.615 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.699 -7.729 0.571 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.718 -5.549 1.946 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.413 -6.561 -0.107 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.959 -5.467 0.573 1.00 0.36 C ATOM 0 H PHE A 132 -3.746 -11.093 3.740 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.973 -8.343 4.310 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.973 -9.320 3.343 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.865 -9.911 1.955 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.842 -6.779 3.681 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.083 -8.581 0.029 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.310 -4.703 2.479 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.549 -6.512 -1.177 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.786 -4.539 0.049 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.918 -9.511 1.959 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.028 -9.181 1.086 1.00 0.24 C ATOM 2245 C GLY A 133 -8.252 -8.706 1.841 1.00 0.23 C ATOM 2246 O GLY A 133 -9.228 -8.264 1.236 1.00 0.27 O ATOM 0 H GLY A 133 -5.707 -10.507 2.021 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.715 -8.406 0.387 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.290 -10.057 0.494 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.210 -8.802 3.161 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.303 -8.331 3.993 1.00 0.29 C ATOM 2252 C LYS A 134 -9.086 -6.862 4.339 1.00 0.30 C ATOM 2253 O LYS A 134 -10.006 -6.047 4.278 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.379 -9.153 5.280 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.450 -10.656 5.067 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.225 -11.392 6.378 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.110 -12.895 6.177 1.00 1.61 C ATOM 2258 NZ LYS A 134 -8.609 -13.569 7.403 1.00 2.43 N ATOM 0 H LYS A 134 -7.428 -9.203 3.679 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.238 -8.443 3.445 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.506 -8.927 5.892 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.256 -8.838 5.846 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.422 -10.925 4.655 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.699 -10.962 4.338 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.317 -11.019 6.851 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.049 -11.180 7.059 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -10.084 -13.303 5.908 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.437 -13.102 5.345 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -8.510 -14.588 7.223 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -7.684 -13.172 7.664 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -9.282 -13.419 8.181 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.847 -6.541 4.683 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.479 -5.199 5.124 1.00 0.31 C ATOM 2274 C GLN A 135 -7.147 -4.297 3.938 1.00 0.30 C ATOM 2275 O GLN A 135 -7.450 -3.106 3.952 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.301 -5.275 6.103 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.690 -5.680 7.522 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.572 -6.909 7.616 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -7.086 -8.034 7.678 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.877 -6.698 7.656 1.00 0.75 N ATOM 0 H GLN A 135 -7.069 -7.200 4.665 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.334 -4.759 5.637 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.571 -5.989 5.721 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -5.808 -4.303 6.137 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -5.780 -5.859 8.095 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -7.205 -4.844 7.994 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -9.242 -5.747 7.602 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.519 -7.486 7.741 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.534 -4.864 2.911 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.246 -4.119 1.690 1.00 0.26 C ATOM 2291 C PHE A 136 -6.633 -4.939 0.461 1.00 0.23 C ATOM 2292 O PHE A 136 -5.775 -5.465 -0.253 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.770 -3.708 1.633 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.444 -2.554 2.542 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.922 -1.287 2.254 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.681 -2.734 3.688 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.646 -0.222 3.087 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.406 -1.671 4.524 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.889 -0.415 4.223 1.00 0.58 C ATOM 0 H PHE A 136 -6.226 -5.836 2.896 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.844 -3.208 1.696 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.150 -4.563 1.904 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.513 -3.440 0.608 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.518 -1.130 1.367 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.299 -3.715 3.927 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -5.023 0.762 2.849 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.813 -1.823 5.414 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.674 0.417 4.877 1.00 0.58 H new ATOM 2309 N PRO A 137 -7.947 -5.036 0.195 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.490 -5.872 -0.881 1.00 0.30 C ATOM 2311 C PRO A 137 -8.048 -5.417 -2.267 1.00 0.29 C ATOM 2312 O PRO A 137 -7.887 -6.235 -3.168 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.012 -5.715 -0.740 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.225 -5.165 0.629 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.013 -4.334 0.926 1.00 0.34 C ATOM 0 HA PRO A 137 -8.140 -6.900 -0.792 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.410 -5.043 -1.500 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.519 -6.672 -0.863 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.133 -4.563 0.672 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.339 -5.966 1.359 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.132 -3.307 0.580 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.807 -4.288 1.995 1.00 0.34 H new ATOM 2323 N PHE A 138 -7.846 -4.114 -2.428 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.483 -3.547 -3.723 1.00 0.36 C ATOM 2325 C PHE A 138 -6.156 -4.084 -4.229 1.00 0.35 C ATOM 2326 O PHE A 138 -6.036 -4.446 -5.395 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.437 -2.023 -3.653 1.00 0.43 C ATOM 2328 CG PHE A 138 -8.787 -1.390 -3.780 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -9.321 -1.137 -5.031 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -9.523 -1.053 -2.657 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -10.568 -0.555 -5.159 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -10.769 -0.471 -2.779 1.00 1.88 C ATOM 2333 CZ PHE A 138 -11.293 -0.222 -4.032 1.00 2.31 C ATOM 0 H PHE A 138 -7.927 -3.429 -1.677 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.256 -3.849 -4.430 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -6.988 -1.722 -2.706 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.790 -1.648 -4.446 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -8.758 -1.397 -5.916 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -9.118 -1.247 -1.675 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -10.975 -0.361 -6.140 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -11.333 -0.211 -1.896 1.00 1.88 H new ATOM 0 HZ PHE A 138 -12.268 0.232 -4.130 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.163 -4.146 -3.360 1.00 0.35 N ATOM 2344 CA LEU A 139 -3.859 -4.639 -3.765 1.00 0.36 C ATOM 2345 C LEU A 139 -3.910 -6.147 -3.979 1.00 0.33 C ATOM 2346 O LEU A 139 -3.413 -6.649 -4.979 1.00 0.35 O ATOM 2347 CB LEU A 139 -2.798 -4.255 -2.731 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.612 -2.745 -2.537 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.774 -2.453 -1.303 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -1.970 -2.129 -3.772 1.00 0.86 C ATOM 0 H LEU A 139 -5.232 -3.865 -2.382 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.582 -4.175 -4.712 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.065 -4.701 -1.773 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -1.844 -4.690 -3.030 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.595 -2.297 -2.392 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.658 -1.375 -1.189 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.270 -2.860 -0.422 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -0.793 -2.914 -1.412 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -1.844 -1.057 -3.620 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -0.996 -2.588 -3.943 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -2.609 -2.300 -4.638 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.563 -6.860 -3.064 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.735 -8.307 -3.201 1.00 0.28 C ATOM 2364 C ALA A 140 -5.462 -8.638 -4.507 1.00 0.28 C ATOM 2365 O ALA A 140 -5.246 -9.686 -5.115 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.503 -8.861 -2.013 1.00 0.25 C ATOM 0 H ALA A 140 -4.981 -6.463 -2.223 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.750 -8.773 -3.227 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.624 -9.938 -2.128 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -4.953 -8.653 -1.095 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.484 -8.389 -1.962 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.332 -7.726 -4.912 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.019 -7.790 -6.192 1.00 0.27 C ATOM 2374 C LYS A 141 -6.039 -7.744 -7.360 1.00 0.29 C ATOM 2375 O LYS A 141 -5.726 -8.765 -7.976 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.976 -6.599 -6.307 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.813 -6.601 -7.579 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.776 -5.423 -7.625 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.849 -5.523 -6.546 1.00 1.76 C ATOM 2380 NZ LYS A 141 -11.722 -6.713 -6.733 1.00 2.58 N ATOM 0 H LYS A 141 -6.584 -6.910 -4.354 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.562 -8.734 -6.236 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.643 -6.597 -5.445 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.398 -5.676 -6.265 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -8.155 -6.566 -8.447 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.375 -7.533 -7.642 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.220 -4.494 -7.499 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -10.250 -5.380 -8.606 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -10.374 -5.573 -5.566 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.460 -4.620 -6.558 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -12.568 -6.620 -6.136 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -12.008 -6.781 -7.731 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -11.201 -7.572 -6.463 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.544 -6.541 -7.636 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.775 -6.261 -8.840 1.00 0.36 C ATOM 2396 C VAL A 142 -3.458 -7.039 -8.892 1.00 0.37 C ATOM 2397 O VAL A 142 -2.914 -7.279 -9.976 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.506 -4.744 -8.977 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.666 -3.937 -8.422 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -3.220 -4.346 -8.291 1.00 0.48 C ATOM 0 H VAL A 142 -5.666 -5.732 -7.028 1.00 0.31 H new ATOM 0 HA VAL A 142 -5.380 -6.596 -9.682 1.00 0.36 H new ATOM 0 HB VAL A 142 -4.404 -4.526 -10.040 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -5.454 -2.873 -8.529 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -6.575 -4.183 -8.970 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.803 -4.175 -7.367 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -3.062 -3.274 -8.407 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.282 -4.591 -7.231 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.386 -4.886 -8.740 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.944 -7.432 -7.730 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.695 -8.186 -7.682 1.00 0.36 C ATOM 2406 C PHE A 143 -1.904 -9.598 -8.216 1.00 0.40 C ATOM 2407 O PHE A 143 -1.076 -10.118 -8.965 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.124 -8.250 -6.259 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.522 -6.959 -5.760 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.931 -5.747 -6.286 1.00 0.47 C ATOM 2411 CD2 PHE A 143 0.446 -6.960 -4.774 1.00 0.58 C ATOM 2412 CE1 PHE A 143 -0.380 -4.562 -5.838 1.00 0.47 C ATOM 2413 CE2 PHE A 143 1.000 -5.781 -4.322 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.581 -4.586 -4.830 1.00 0.39 C ATOM 0 H PHE A 143 -3.366 -7.244 -6.821 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.976 -7.663 -8.312 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.919 -8.551 -5.577 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.361 -9.028 -6.223 1.00 0.36 H new ATOM 0 HD1 PHE A 143 -1.689 -5.727 -7.055 1.00 0.47 H new ATOM 0 HD2 PHE A 143 0.774 -7.898 -4.351 1.00 0.58 H new ATOM 0 HE1 PHE A 143 -0.693 -3.622 -6.267 1.00 0.47 H new ATOM 0 HE2 PHE A 143 1.768 -5.804 -3.563 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.993 -3.662 -4.452 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.021 -10.207 -7.840 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.325 -11.572 -8.253 1.00 0.45 C ATOM 2426 C GLU A 144 -3.913 -11.598 -9.657 1.00 0.45 C ATOM 2427 O GLU A 144 -3.802 -12.598 -10.365 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.286 -12.231 -7.268 1.00 0.47 C ATOM 2429 CG GLU A 144 -3.719 -12.364 -5.864 1.00 0.60 C ATOM 2430 CD GLU A 144 -2.475 -13.236 -5.812 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -2.607 -14.471 -5.703 1.00 1.55 O ATOM 2432 OE2 GLU A 144 -1.351 -12.692 -5.869 1.00 2.58 O ATOM 0 H GLU A 144 -3.733 -9.777 -7.249 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.392 -12.135 -8.261 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.206 -11.649 -7.226 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.552 -13.221 -7.639 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.479 -11.373 -5.478 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.480 -12.786 -5.208 1.00 0.60 H new ATOM 2439 N SER A 145 -4.527 -10.491 -10.063 1.00 0.43 N ATOM 2440 CA SER A 145 -5.052 -10.364 -11.418 1.00 0.49 C ATOM 2441 C SER A 145 -3.908 -10.274 -12.430 1.00 0.57 C ATOM 2442 O SER A 145 -4.128 -10.307 -13.642 1.00 1.32 O ATOM 2443 CB SER A 145 -5.950 -9.131 -11.525 1.00 0.50 C ATOM 2444 OG SER A 145 -6.995 -9.173 -10.566 1.00 1.29 O ATOM 0 H SER A 145 -4.673 -9.671 -9.475 1.00 0.43 H new ATOM 0 HA SER A 145 -5.645 -11.251 -11.643 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.354 -8.230 -11.378 1.00 0.50 H new ATOM 0 HB3 SER A 145 -6.375 -9.073 -12.527 1.00 0.50 H new ATOM 0 HG SER A 145 -6.622 -9.042 -9.669 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.687 -10.143 -11.917 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.515 -10.138 -12.764 1.00 0.78 C ATOM 2452 C GLY A 146 -1.149 -8.757 -13.263 1.00 0.70 C ATOM 2453 O GLY A 146 -0.119 -8.585 -13.908 1.00 1.09 O ATOM 0 H GLY A 146 -2.492 -10.040 -10.921 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.672 -10.553 -12.211 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.689 -10.792 -13.618 1.00 0.78 H new ATOM 2457 N LYS A 147 -1.973 -7.766 -12.941 1.00 0.54 N ATOM 2458 CA LYS A 147 -1.779 -6.417 -13.457 1.00 0.48 C ATOM 2459 C LYS A 147 -0.537 -5.772 -12.858 1.00 0.40 C ATOM 2460 O LYS A 147 0.344 -5.308 -13.584 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.006 -5.548 -13.173 1.00 0.54 C ATOM 2462 CG LYS A 147 -2.945 -4.192 -13.855 1.00 0.83 C ATOM 2463 CD LYS A 147 -4.154 -3.331 -13.527 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.455 -4.027 -13.893 1.00 1.55 C ATOM 2465 NZ LYS A 147 -6.604 -3.086 -13.893 1.00 1.98 N ATOM 0 H LYS A 147 -2.780 -7.872 -12.326 1.00 0.54 H new ATOM 0 HA LYS A 147 -1.641 -6.493 -14.536 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -3.901 -6.075 -13.503 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.100 -5.403 -12.097 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -2.037 -3.673 -13.548 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.883 -4.332 -14.934 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -4.155 -3.094 -12.463 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.084 -2.385 -14.064 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -5.359 -4.483 -14.879 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.647 -4.834 -13.186 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -7.492 -3.623 -13.825 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -6.525 -2.442 -13.080 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -6.600 -2.533 -14.774 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.464 -5.750 -11.534 1.00 0.33 N ATOM 2480 CA ALA A 148 0.675 -5.155 -10.852 1.00 0.29 C ATOM 2481 C ALA A 148 1.945 -5.939 -11.147 1.00 0.31 C ATOM 2482 O ALA A 148 3.011 -5.359 -11.340 1.00 0.34 O ATOM 2483 CB ALA A 148 0.426 -5.078 -9.359 1.00 0.33 C ATOM 0 H ALA A 148 -1.177 -6.135 -10.914 1.00 0.33 H new ATOM 0 HA ALA A 148 0.806 -4.140 -11.227 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.290 -4.630 -8.869 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.456 -4.467 -9.168 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.265 -6.081 -8.965 1.00 0.33 H new ATOM 2489 N ALA A 149 1.822 -7.263 -11.182 1.00 0.35 N ATOM 2490 CA ALA A 149 2.931 -8.118 -11.575 1.00 0.41 C ATOM 2491 C ALA A 149 3.407 -7.764 -12.982 1.00 0.43 C ATOM 2492 O ALA A 149 4.600 -7.669 -13.230 1.00 0.51 O ATOM 2493 CB ALA A 149 2.529 -9.586 -11.502 1.00 0.48 C ATOM 0 H ALA A 149 0.966 -7.764 -10.943 1.00 0.35 H new ATOM 0 HA ALA A 149 3.754 -7.952 -10.880 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.372 -10.209 -11.800 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.238 -9.833 -10.481 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.689 -9.767 -12.173 1.00 0.48 H new ATOM 2499 N LYS A 150 2.463 -7.536 -13.887 1.00 0.41 N ATOM 2500 CA LYS A 150 2.789 -7.173 -15.265 1.00 0.46 C ATOM 2501 C LYS A 150 3.540 -5.846 -15.301 1.00 0.45 C ATOM 2502 O LYS A 150 4.513 -5.691 -16.041 1.00 0.59 O ATOM 2503 CB LYS A 150 1.520 -7.085 -16.115 1.00 0.53 C ATOM 2504 CG LYS A 150 1.787 -6.683 -17.555 1.00 1.16 C ATOM 2505 CD LYS A 150 2.665 -7.695 -18.276 1.00 1.45 C ATOM 2506 CE LYS A 150 2.975 -7.241 -19.693 1.00 1.96 C ATOM 2507 NZ LYS A 150 3.911 -8.165 -20.385 1.00 2.82 N ATOM 0 H LYS A 150 1.463 -7.596 -13.693 1.00 0.41 H new ATOM 0 HA LYS A 150 3.430 -7.950 -15.681 1.00 0.46 H new ATOM 0 HB2 LYS A 150 1.015 -8.051 -16.103 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.839 -6.363 -15.664 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.840 -6.582 -18.085 1.00 1.16 H new ATOM 0 HG3 LYS A 150 2.269 -5.706 -17.575 1.00 1.16 H new ATOM 0 HD2 LYS A 150 3.595 -7.833 -17.724 1.00 1.45 H new ATOM 0 HD3 LYS A 150 2.163 -8.662 -18.303 1.00 1.45 H new ATOM 0 HE2 LYS A 150 2.048 -7.172 -20.262 1.00 1.96 H new ATOM 0 HE3 LYS A 150 3.408 -6.241 -19.666 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 4.094 -7.817 -21.348 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 4.806 -8.212 -19.857 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 3.489 -9.114 -20.435 1.00 2.82 H new ATOM 2521 N PHE A 151 3.087 -4.900 -14.487 1.00 0.35 N ATOM 2522 CA PHE A 151 3.731 -3.597 -14.375 1.00 0.36 C ATOM 2523 C PHE A 151 5.158 -3.753 -13.845 1.00 0.40 C ATOM 2524 O PHE A 151 6.066 -3.022 -14.247 1.00 0.46 O ATOM 2525 CB PHE A 151 2.915 -2.692 -13.444 1.00 0.34 C ATOM 2526 CG PHE A 151 3.241 -1.229 -13.571 1.00 0.33 C ATOM 2527 CD1 PHE A 151 4.309 -0.686 -12.877 1.00 0.43 C ATOM 2528 CD2 PHE A 151 2.485 -0.400 -14.384 1.00 0.46 C ATOM 2529 CE1 PHE A 151 4.615 0.656 -12.989 1.00 0.44 C ATOM 2530 CE2 PHE A 151 2.786 0.942 -14.500 1.00 0.49 C ATOM 2531 CZ PHE A 151 3.832 1.477 -13.810 1.00 0.39 C ATOM 0 H PHE A 151 2.268 -5.013 -13.889 1.00 0.35 H new ATOM 0 HA PHE A 151 3.778 -3.140 -15.363 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.855 -2.837 -13.651 1.00 0.34 H new ATOM 0 HB3 PHE A 151 3.083 -3.003 -12.413 1.00 0.34 H new ATOM 0 HD1 PHE A 151 4.910 -1.319 -12.241 1.00 0.43 H new ATOM 0 HD2 PHE A 151 1.650 -0.809 -14.934 1.00 0.46 H new ATOM 0 HE1 PHE A 151 5.453 1.070 -12.447 1.00 0.44 H new ATOM 0 HE2 PHE A 151 2.188 1.572 -15.142 1.00 0.49 H new ATOM 0 HZ PHE A 151 4.056 2.530 -13.896 1.00 0.39 H new ATOM 2541 N ALA A 152 5.345 -4.723 -12.960 1.00 0.39 N ATOM 2542 CA ALA A 152 6.643 -4.979 -12.350 1.00 0.44 C ATOM 2543 C ALA A 152 7.565 -5.766 -13.279 1.00 0.52 C ATOM 2544 O ALA A 152 8.781 -5.567 -13.289 1.00 0.59 O ATOM 2545 CB ALA A 152 6.454 -5.747 -11.051 1.00 0.44 C ATOM 0 H ALA A 152 4.606 -5.352 -12.646 1.00 0.39 H new ATOM 0 HA ALA A 152 7.113 -4.015 -12.153 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.426 -5.938 -10.596 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.842 -5.159 -10.367 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.958 -6.695 -11.258 1.00 0.44 H new ATOM 2551 N GLY A 153 6.973 -6.656 -14.061 1.00 0.65 N ATOM 2552 CA GLY A 153 7.747 -7.543 -14.909 1.00 0.84 C ATOM 2553 C GLY A 153 7.697 -8.969 -14.401 1.00 1.06 C ATOM 2554 O GLY A 153 8.622 -9.753 -14.626 1.00 1.62 O ATOM 0 H GLY A 153 5.963 -6.781 -14.124 1.00 0.65 H new ATOM 0 HA2 GLY A 153 7.362 -7.504 -15.928 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.782 -7.203 -14.946 1.00 0.84 H new ATOM 2558 N GLU A 154 6.607 -9.278 -13.697 1.00 0.99 N ATOM 2559 CA GLU A 154 6.370 -10.585 -13.086 1.00 1.35 C ATOM 2560 C GLU A 154 7.361 -10.824 -11.943 1.00 1.52 C ATOM 2561 O GLU A 154 8.251 -10.006 -11.705 1.00 2.33 O ATOM 2562 CB GLU A 154 6.430 -11.701 -14.138 1.00 1.95 C ATOM 2563 CG GLU A 154 5.853 -13.026 -13.662 1.00 2.50 C ATOM 2564 CD GLU A 154 5.817 -14.073 -14.751 1.00 3.37 C ATOM 2565 OE1 GLU A 154 6.873 -14.331 -15.371 1.00 4.12 O ATOM 2566 OE2 GLU A 154 4.737 -14.652 -14.990 1.00 3.70 O ATOM 0 H GLU A 154 5.851 -8.614 -13.533 1.00 0.99 H new ATOM 0 HA GLU A 154 5.365 -10.598 -12.663 1.00 1.35 H new ATOM 0 HB2 GLU A 154 5.889 -11.378 -15.027 1.00 1.95 H new ATOM 0 HB3 GLU A 154 7.468 -11.853 -14.434 1.00 1.95 H new ATOM 0 HG2 GLU A 154 6.447 -13.397 -12.827 1.00 2.50 H new ATOM 0 HG3 GLU A 154 4.843 -12.863 -13.287 1.00 2.50 H new ATOM 2573 N ASN A 155 7.197 -11.923 -11.221 1.00 1.82 N ATOM 2574 CA ASN A 155 8.035 -12.213 -10.072 1.00 2.70 C ATOM 2575 C ASN A 155 8.470 -13.670 -10.102 1.00 3.48 C ATOM 2576 O ASN A 155 9.527 -13.967 -10.691 1.00 3.96 O ATOM 2577 CB ASN A 155 7.288 -11.921 -8.767 1.00 2.84 C ATOM 2578 CG ASN A 155 6.907 -10.462 -8.617 1.00 3.21 C ATOM 2579 OD1 ASN A 155 5.825 -10.045 -9.033 1.00 3.95 O ATOM 2580 ND2 ASN A 155 7.791 -9.673 -8.023 1.00 3.15 N ATOM 2581 OXT ASN A 155 7.743 -14.520 -9.552 1.00 4.01 O ATOM 0 H ASN A 155 6.487 -12.630 -11.414 1.00 1.82 H new ATOM 0 HA ASN A 155 8.915 -11.572 -10.118 1.00 2.70 H new ATOM 0 HB2 ASN A 155 6.387 -12.532 -8.726 1.00 2.84 H new ATOM 0 HB3 ASN A 155 7.912 -12.217 -7.924 1.00 2.84 H new ATOM 0 HD21 ASN A 155 7.586 -8.682 -7.897 1.00 3.15 H new ATOM 0 HD22 ASN A 155 8.676 -10.057 -7.692 1.00 3.15 H new TER 2588 ASN A 155