USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1049 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 104 MET CE :methyl 163:sc= -0.214 (180deg=-0.359) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.145 X(o=-0.36,f=-0.69) USER MOD Set 2.1: A 98 LYS NZ :NH3+ 161:sc= 0.995 (180deg=0) USER MOD Set 2.2: A 100 TYR OH : rot 30:sc= 0.859 USER MOD Set 3.1: A 85 LYS NZ :NH3+ -150:sc= 1.16 (180deg=0.751) USER MOD Set 3.2: A 116 SER OG : rot -24:sc= 0.265 USER MOD Set 4.1: A 67 GLN :FLIP amide:sc= -0.0898 F(o=-2.4,f=-0.49) USER MOD Set 4.2: A 97 MET CE :methyl 178:sc= -0.398 (180deg=-0.377) USER MOD Set 5.1: A 24 ASN :FLIP amide:sc= 0.326 F(o=-2.3,f=-0.44) USER MOD Set 5.2: A 39 TYR OH : rot 11:sc= -1.24! USER MOD Set 5.3: A 55 ASN : amide:sc= 0.473 K(o=-0.44,f=-6.3!) USER MOD Set 6.1: A 26 CYS SG : rot 70:sc= 0.89 USER MOD Set 6.2: A 38 HIS : no HE2:sc= -0.0537 X(o=0.84,f=0.62) USER MOD Set 7.1: A 20 LYS NZ :NH3+ -119:sc= -0.699! (180deg=-4.37!) USER MOD Set 7.2: A 46 ASN : amide:sc= 0.219 K(o=-0.48,f=-8.7) USER MOD Set 8.1: A 12 ASN : amide:sc= -0.0901 K(o=-0.09,f=-3.2) USER MOD Set 8.2: A 18 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0734 (180deg=-0.0354) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 5 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -1.06 X(o=-1.1,f=-0.9) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-0.93) USER MOD Single : A 11 MET CE :methyl -169:sc=-0.00413 (180deg=-0.151) USER MOD Single : A 21 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.59) USER MOD Single : A 22 LYS NZ :NH3+ -146:sc= 1.02 (180deg=0.317) USER MOD Single : A 28 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0515) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.043) USER MOD Single : A 36 MET CE :methyl 157:sc= -0.239 (180deg=-0.931) USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0426 (180deg=-0.272) USER MOD Single : A 40 THR OG1 : rot 28:sc= 1.09 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.012) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -169:sc= 0.514 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 59 CYS SG : rot -108:sc= -0.684! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -132:sc= -0.628 (180deg=-2.78!) USER MOD Single : A 73 CYS SG : rot 50:sc= -1.77! USER MOD Single : A 76 CYS SG : rot -16:sc= -3.15! USER MOD Single : A 78 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.23) USER MOD Single : A 82 THR OG1 : rot -17:sc= 0.571 USER MOD Single : A 87 TYR OH : rot -159:sc= 0.565 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.566 (180deg=0.524) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 102 LYS NZ :NH3+ -157:sc= 0.477 (180deg=0.251) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc=-0.00949 F(o=-0.74,f=-0.0095) USER MOD Single : A 109 LYS NZ :NH3+ -103:sc= 1.07 (180deg=0.0204) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 80:sc= -5.49! USER MOD Single : A 118 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0314) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= 0.307 F(o=-0.55,f=0.31) USER MOD Single : A 127 CYS SG : rot -55:sc= -3.65! USER MOD Single : A 128 MET CE :methyl -158:sc= -0.136 (180deg=-0.641) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.250 43.494 2.275 1.00 62.30 N ATOM 2 CA MET A 1 2.235 44.006 3.248 1.00 35.13 C ATOM 3 C MET A 1 3.588 44.236 2.559 1.00 34.55 C ATOM 4 O MET A 1 3.804 43.771 1.431 1.00 22.02 O ATOM 5 CB MET A 1 2.355 43.035 4.458 1.00 4.03 C ATOM 6 CG MET A 1 2.743 41.580 4.136 1.00 3.44 C ATOM 7 SD MET A 1 4.442 41.389 3.540 1.00 12.25 S ATOM 8 CE MET A 1 4.593 39.608 3.419 1.00 21.43 C ATOM 0 H1 MET A 1 0.702 42.724 2.708 1.00 62.30 H new ATOM 0 H2 MET A 1 0.607 44.262 1.996 1.00 62.30 H new ATOM 0 H3 MET A 1 1.746 43.135 1.435 1.00 62.30 H new ATOM 0 HA MET A 1 1.895 44.967 3.634 1.00 35.13 H new ATOM 0 HB2 MET A 1 3.095 43.440 5.149 1.00 4.03 H new ATOM 0 HB3 MET A 1 1.400 43.025 4.983 1.00 4.03 H new ATOM 0 HG2 MET A 1 2.612 40.973 5.032 1.00 3.44 H new ATOM 0 HG3 MET A 1 2.058 41.190 3.383 1.00 3.44 H new ATOM 0 HE1 MET A 1 5.591 39.351 3.063 1.00 21.43 H new ATOM 0 HE2 MET A 1 4.431 39.162 4.400 1.00 21.43 H new ATOM 0 HE3 MET A 1 3.849 39.226 2.720 1.00 21.43 H new ATOM 20 N GLY A 2 4.494 44.962 3.243 1.00 65.55 N ATOM 21 CA GLY A 2 5.824 45.236 2.707 1.00 4.43 C ATOM 22 C GLY A 2 6.678 46.086 3.643 1.00 54.51 C ATOM 23 O GLY A 2 7.176 47.144 3.254 1.00 41.44 O ATOM 0 H GLY A 2 4.321 45.364 4.164 1.00 65.55 H new ATOM 0 HA2 GLY A 2 6.334 44.292 2.515 1.00 4.43 H new ATOM 0 HA3 GLY A 2 5.726 45.746 1.749 1.00 4.43 H new ATOM 27 N HIS A 3 6.837 45.611 4.888 1.00 33.14 N ATOM 28 CA HIS A 3 7.785 46.194 5.871 1.00 42.51 C ATOM 29 C HIS A 3 8.663 45.066 6.424 1.00 11.13 C ATOM 30 O HIS A 3 8.140 44.022 6.824 1.00 33.33 O ATOM 31 CB HIS A 3 7.024 46.926 7.010 1.00 50.41 C ATOM 32 CG HIS A 3 7.914 47.629 8.018 1.00 65.54 C ATOM 33 ND1 HIS A 3 8.216 48.974 7.952 1.00 50.33 N ATOM 34 CD2 HIS A 3 8.580 47.160 9.108 1.00 53.15 C ATOM 35 CE1 HIS A 3 9.020 49.295 8.946 1.00 53.10 C ATOM 36 NE2 HIS A 3 9.259 48.216 9.661 1.00 72.43 N ATOM 0 H HIS A 3 6.316 44.812 5.249 1.00 33.14 H new ATOM 0 HA HIS A 3 8.414 46.938 5.382 1.00 42.51 H new ATOM 0 HB2 HIS A 3 6.351 47.660 6.566 1.00 50.41 H new ATOM 0 HB3 HIS A 3 6.403 46.202 7.537 1.00 50.41 H new ATOM 0 HD2 HIS A 3 8.575 46.143 9.471 1.00 53.15 H new ATOM 0 HE1 HIS A 3 9.417 50.280 9.141 1.00 53.10 H new ATOM 0 HE2 HIS A 3 9.852 48.172 10.490 1.00 72.43 H new ATOM 45 N HIS A 4 9.998 45.298 6.417 1.00 50.54 N ATOM 46 CA HIS A 4 11.048 44.309 6.799 1.00 0.14 C ATOM 47 C HIS A 4 11.183 43.192 5.721 1.00 10.44 C ATOM 48 O HIS A 4 11.942 42.230 5.891 1.00 42.43 O ATOM 49 CB HIS A 4 10.813 43.727 8.234 1.00 13.51 C ATOM 50 CG HIS A 4 11.939 42.874 8.768 1.00 1.24 C ATOM 51 ND1 HIS A 4 11.809 41.521 9.030 1.00 63.41 N ATOM 52 CD2 HIS A 4 13.219 43.182 9.057 1.00 14.33 C ATOM 53 CE1 HIS A 4 12.961 41.047 9.455 1.00 11.11 C ATOM 54 NE2 HIS A 4 13.831 42.032 9.480 1.00 62.04 N ATOM 0 H HIS A 4 10.389 46.198 6.140 1.00 50.54 H new ATOM 0 HA HIS A 4 12.000 44.838 6.838 1.00 0.14 H new ATOM 0 HB2 HIS A 4 10.646 44.555 8.923 1.00 13.51 H new ATOM 0 HB3 HIS A 4 9.900 43.132 8.224 1.00 13.51 H new ATOM 0 HD2 HIS A 4 13.678 44.156 8.971 1.00 14.33 H new ATOM 0 HE1 HIS A 4 13.158 40.023 9.736 1.00 11.11 H new ATOM 0 HE2 HIS A 4 14.806 41.953 9.768 1.00 62.04 H new ATOM 63 N HIS A 5 10.474 43.367 4.585 1.00 21.14 N ATOM 64 CA HIS A 5 10.464 42.397 3.477 1.00 54.33 C ATOM 65 C HIS A 5 11.816 42.422 2.734 1.00 73.24 C ATOM 66 O HIS A 5 12.377 43.504 2.487 1.00 13.30 O ATOM 67 CB HIS A 5 9.296 42.702 2.496 1.00 33.01 C ATOM 68 CG HIS A 5 9.426 43.977 1.681 1.00 62.05 C ATOM 69 ND1 HIS A 5 9.335 44.008 0.302 1.00 74.41 N ATOM 70 CD2 HIS A 5 9.623 45.265 2.063 1.00 33.30 C ATOM 71 CE1 HIS A 5 9.456 45.255 -0.115 1.00 31.21 C ATOM 72 NE2 HIS A 5 9.630 46.032 0.930 1.00 43.22 N ATOM 0 H HIS A 5 9.893 44.187 4.414 1.00 21.14 H new ATOM 0 HA HIS A 5 10.313 41.399 3.889 1.00 54.33 H new ATOM 0 HB2 HIS A 5 9.198 41.863 1.807 1.00 33.01 H new ATOM 0 HB3 HIS A 5 8.370 42.754 3.069 1.00 33.01 H new ATOM 0 HD2 HIS A 5 9.751 45.619 3.075 1.00 33.30 H new ATOM 0 HE1 HIS A 5 9.418 45.582 -1.144 1.00 31.21 H new ATOM 0 HE2 HIS A 5 9.751 47.044 0.901 1.00 43.22 H new ATOM 81 N HIS A 6 12.328 41.230 2.410 1.00 0.53 N ATOM 82 CA HIS A 6 13.576 41.071 1.656 1.00 61.14 C ATOM 83 C HIS A 6 13.581 39.689 0.994 1.00 31.52 C ATOM 84 O HIS A 6 13.198 38.699 1.629 1.00 44.10 O ATOM 85 CB HIS A 6 14.812 41.241 2.586 1.00 54.01 C ATOM 86 CG HIS A 6 16.131 41.262 1.848 1.00 10.01 C ATOM 87 ND1 HIS A 6 16.638 42.399 1.252 1.00 31.23 N ATOM 88 CD2 HIS A 6 17.030 40.278 1.585 1.00 75.22 C ATOM 89 CE1 HIS A 6 17.779 42.116 0.663 1.00 55.45 C ATOM 90 NE2 HIS A 6 18.037 40.839 0.851 1.00 42.54 N ATOM 0 H HIS A 6 11.887 40.346 2.664 1.00 0.53 H new ATOM 0 HA HIS A 6 13.636 41.843 0.889 1.00 61.14 H new ATOM 0 HB2 HIS A 6 14.707 42.168 3.149 1.00 54.01 H new ATOM 0 HB3 HIS A 6 14.825 40.427 3.311 1.00 54.01 H new ATOM 0 HD2 HIS A 6 16.962 39.246 1.897 1.00 75.22 H new ATOM 0 HE1 HIS A 6 18.399 42.813 0.118 1.00 55.45 H new ATOM 0 HE2 HIS A 6 18.859 40.346 0.503 1.00 42.54 H new ATOM 99 N HIS A 7 14.012 39.638 -0.280 1.00 62.25 N ATOM 100 CA HIS A 7 14.109 38.387 -1.047 1.00 34.22 C ATOM 101 C HIS A 7 15.208 37.483 -0.447 1.00 72.13 C ATOM 102 O HIS A 7 16.397 37.626 -0.743 1.00 14.35 O ATOM 103 CB HIS A 7 14.356 38.674 -2.551 1.00 1.44 C ATOM 104 CG HIS A 7 13.161 39.260 -3.265 1.00 50.14 C ATOM 105 ND1 HIS A 7 12.268 38.494 -3.984 1.00 73.11 N ATOM 106 CD2 HIS A 7 12.713 40.537 -3.362 1.00 42.31 C ATOM 107 CE1 HIS A 7 11.332 39.271 -4.490 1.00 34.35 C ATOM 108 NE2 HIS A 7 11.577 40.510 -4.127 1.00 72.11 N ATOM 0 H HIS A 7 14.302 40.463 -0.804 1.00 62.25 H new ATOM 0 HA HIS A 7 13.160 37.856 -0.977 1.00 34.22 H new ATOM 0 HB2 HIS A 7 15.197 39.361 -2.647 1.00 1.44 H new ATOM 0 HB3 HIS A 7 14.644 37.746 -3.046 1.00 1.44 H new ATOM 0 HD2 HIS A 7 13.167 41.411 -2.919 1.00 42.31 H new ATOM 0 HE1 HIS A 7 10.503 38.945 -5.100 1.00 34.35 H new ATOM 0 HE2 HIS A 7 11.012 41.322 -4.375 1.00 72.11 H new ATOM 117 N HIS A 8 14.769 36.610 0.464 1.00 4.54 N ATOM 118 CA HIS A 8 15.633 35.679 1.216 1.00 42.55 C ATOM 119 C HIS A 8 15.762 34.330 0.478 1.00 44.24 C ATOM 120 O HIS A 8 15.036 34.064 -0.489 1.00 61.42 O ATOM 121 CB HIS A 8 15.056 35.494 2.646 1.00 35.21 C ATOM 122 CG HIS A 8 13.586 35.150 2.683 1.00 41.44 C ATOM 123 ND1 HIS A 8 12.599 36.084 2.930 1.00 2.22 N ATOM 124 CD2 HIS A 8 12.938 33.979 2.483 1.00 71.42 C ATOM 125 CE1 HIS A 8 11.419 35.496 2.891 1.00 14.43 C ATOM 126 NE2 HIS A 8 11.597 34.223 2.618 1.00 21.02 N ATOM 0 H HIS A 8 13.783 36.524 0.709 1.00 4.54 H new ATOM 0 HA HIS A 8 16.637 36.096 1.293 1.00 42.55 H new ATOM 0 HB2 HIS A 8 15.614 34.706 3.151 1.00 35.21 H new ATOM 0 HB3 HIS A 8 15.217 36.412 3.212 1.00 35.21 H new ATOM 0 HD1 HIS A 8 12.758 37.075 3.114 1.00 2.22 H new ATOM 0 HD2 HIS A 8 13.395 33.026 2.258 1.00 71.42 H new ATOM 0 HE1 HIS A 8 10.467 35.979 3.056 1.00 14.43 H new ATOM 135 N SER A 9 16.671 33.483 0.976 1.00 33.22 N ATOM 136 CA SER A 9 17.012 32.186 0.363 1.00 31.01 C ATOM 137 C SER A 9 15.954 31.096 0.673 1.00 22.32 C ATOM 138 O SER A 9 14.914 31.371 1.288 1.00 23.44 O ATOM 139 CB SER A 9 18.421 31.766 0.853 1.00 1.11 C ATOM 140 OG SER A 9 19.393 32.758 0.533 1.00 1.03 O ATOM 0 H SER A 9 17.199 33.678 1.827 1.00 33.22 H new ATOM 0 HA SER A 9 17.017 32.296 -0.721 1.00 31.01 H new ATOM 0 HB2 SER A 9 18.402 31.606 1.931 1.00 1.11 H new ATOM 0 HB3 SER A 9 18.701 30.817 0.395 1.00 1.11 H new ATOM 0 HG SER A 9 20.273 32.470 0.854 1.00 1.03 H new ATOM 146 N HIS A 10 16.270 29.865 0.219 1.00 14.44 N ATOM 147 CA HIS A 10 15.410 28.660 0.280 1.00 3.13 C ATOM 148 C HIS A 10 14.930 28.365 1.725 1.00 55.34 C ATOM 149 O HIS A 10 15.733 27.995 2.581 1.00 1.45 O ATOM 150 CB HIS A 10 16.234 27.476 -0.305 1.00 43.42 C ATOM 151 CG HIS A 10 15.541 26.143 -0.391 1.00 54.02 C ATOM 152 ND1 HIS A 10 16.080 24.997 0.144 1.00 41.22 N ATOM 153 CD2 HIS A 10 14.410 25.759 -1.024 1.00 32.12 C ATOM 154 CE1 HIS A 10 15.326 23.971 -0.157 1.00 62.41 C ATOM 155 NE2 HIS A 10 14.302 24.402 -0.864 1.00 51.22 N ATOM 0 H HIS A 10 17.171 29.673 -0.220 1.00 14.44 H new ATOM 0 HA HIS A 10 14.503 28.816 -0.304 1.00 3.13 H new ATOM 0 HB2 HIS A 10 16.562 27.753 -1.307 1.00 43.42 H new ATOM 0 HB3 HIS A 10 17.131 27.354 0.302 1.00 43.42 H new ATOM 0 HD2 HIS A 10 13.722 26.400 -1.555 1.00 32.12 H new ATOM 0 HE1 HIS A 10 15.512 22.945 0.126 1.00 62.41 H new ATOM 0 HE2 HIS A 10 13.550 23.820 -1.233 1.00 51.22 H new ATOM 164 N MET A 11 13.618 28.573 1.978 1.00 22.25 N ATOM 165 CA MET A 11 13.006 28.387 3.317 1.00 74.43 C ATOM 166 C MET A 11 12.701 26.904 3.562 1.00 71.24 C ATOM 167 O MET A 11 13.389 26.250 4.354 1.00 64.35 O ATOM 168 CB MET A 11 11.703 29.227 3.461 1.00 12.15 C ATOM 169 CG MET A 11 11.894 30.734 3.287 1.00 1.11 C ATOM 170 SD MET A 11 12.983 31.472 4.532 1.00 62.22 S ATOM 171 CE MET A 11 12.031 31.281 6.041 1.00 20.14 C ATOM 0 H MET A 11 12.954 28.873 1.264 1.00 22.25 H new ATOM 0 HA MET A 11 13.721 28.734 4.063 1.00 74.43 H new ATOM 0 HB2 MET A 11 10.979 28.879 2.725 1.00 12.15 H new ATOM 0 HB3 MET A 11 11.273 29.040 4.445 1.00 12.15 H new ATOM 0 HG2 MET A 11 12.304 30.928 2.296 1.00 1.11 H new ATOM 0 HG3 MET A 11 10.921 31.223 3.331 1.00 1.11 H new ATOM 0 HE1 MET A 11 12.494 31.862 6.839 1.00 20.14 H new ATOM 0 HE2 MET A 11 11.014 31.636 5.877 1.00 20.14 H new ATOM 0 HE3 MET A 11 12.007 30.229 6.325 1.00 20.14 H new ATOM 181 N ASN A 12 11.674 26.390 2.844 1.00 41.12 N ATOM 182 CA ASN A 12 11.193 25.006 2.976 1.00 15.14 C ATOM 183 C ASN A 12 12.318 24.040 2.576 1.00 74.31 C ATOM 184 O ASN A 12 12.696 24.030 1.411 1.00 30.03 O ATOM 185 CB ASN A 12 9.942 24.779 2.076 1.00 4.02 C ATOM 186 CG ASN A 12 8.724 25.566 2.555 1.00 54.41 C ATOM 187 OD1 ASN A 12 7.919 25.061 3.331 1.00 51.10 O ATOM 188 ND2 ASN A 12 8.595 26.809 2.120 1.00 64.43 N ATOM 0 H ASN A 12 11.156 26.934 2.153 1.00 41.12 H new ATOM 0 HA ASN A 12 10.907 24.821 4.011 1.00 15.14 H new ATOM 0 HB2 ASN A 12 10.178 25.069 1.052 1.00 4.02 H new ATOM 0 HB3 ASN A 12 9.700 23.716 2.058 1.00 4.02 H new ATOM 0 HD21 ASN A 12 7.808 27.379 2.430 1.00 64.43 H new ATOM 0 HD22 ASN A 12 9.283 27.198 1.475 1.00 64.43 H new ATOM 195 N PRO A 13 12.865 23.209 3.535 1.00 2.50 N ATOM 196 CA PRO A 13 14.033 22.313 3.282 1.00 1.33 C ATOM 197 C PRO A 13 13.807 21.364 2.091 1.00 75.02 C ATOM 198 O PRO A 13 14.754 21.013 1.381 1.00 51.43 O ATOM 199 CB PRO A 13 14.202 21.529 4.619 1.00 33.44 C ATOM 200 CG PRO A 13 12.905 21.723 5.353 1.00 12.12 C ATOM 201 CD PRO A 13 12.387 23.076 4.933 1.00 62.33 C ATOM 0 HA PRO A 13 14.924 22.877 3.007 1.00 1.33 H new ATOM 0 HB2 PRO A 13 14.396 20.472 4.435 1.00 33.44 H new ATOM 0 HB3 PRO A 13 15.043 21.912 5.197 1.00 33.44 H new ATOM 0 HG2 PRO A 13 12.193 20.937 5.101 1.00 12.12 H new ATOM 0 HG3 PRO A 13 13.057 21.681 6.432 1.00 12.12 H new ATOM 0 HD2 PRO A 13 11.300 23.126 4.992 1.00 62.33 H new ATOM 0 HD3 PRO A 13 12.778 23.871 5.568 1.00 62.33 H new ATOM 209 N ASP A 14 12.537 20.988 1.881 1.00 2.44 N ATOM 210 CA ASP A 14 12.102 20.218 0.717 1.00 72.53 C ATOM 211 C ASP A 14 10.586 20.404 0.529 1.00 71.42 C ATOM 212 O ASP A 14 9.792 19.943 1.344 1.00 52.34 O ATOM 213 CB ASP A 14 12.477 18.718 0.873 1.00 62.24 C ATOM 214 CG ASP A 14 11.924 17.832 -0.249 1.00 20.14 C ATOM 215 OD1 ASP A 14 12.280 18.045 -1.426 1.00 24.31 O ATOM 216 OD2 ASP A 14 11.134 16.920 0.039 1.00 71.34 O ATOM 0 H ASP A 14 11.778 21.215 2.524 1.00 2.44 H new ATOM 0 HA ASP A 14 12.615 20.583 -0.173 1.00 72.53 H new ATOM 0 HB2 ASP A 14 13.563 18.623 0.899 1.00 62.24 H new ATOM 0 HB3 ASP A 14 12.103 18.355 1.830 1.00 62.24 H new ATOM 221 N LEU A 15 10.198 21.098 -0.550 1.00 72.55 N ATOM 222 CA LEU A 15 8.784 21.390 -0.861 1.00 21.01 C ATOM 223 C LEU A 15 7.971 20.092 -1.075 1.00 41.54 C ATOM 224 O LEU A 15 6.779 20.033 -0.729 1.00 22.52 O ATOM 225 CB LEU A 15 8.680 22.324 -2.101 1.00 20.50 C ATOM 226 CG LEU A 15 9.291 23.773 -1.940 1.00 65.01 C ATOM 227 CD1 LEU A 15 10.831 23.794 -2.039 1.00 14.21 C ATOM 228 CD2 LEU A 15 8.655 24.764 -2.939 1.00 72.43 C ATOM 0 H LEU A 15 10.853 21.475 -1.235 1.00 72.55 H new ATOM 0 HA LEU A 15 8.352 21.907 -0.004 1.00 21.01 H new ATOM 0 HB2 LEU A 15 9.175 21.835 -2.940 1.00 20.50 H new ATOM 0 HB3 LEU A 15 7.628 22.424 -2.367 1.00 20.50 H new ATOM 0 HG LEU A 15 9.043 24.098 -0.929 1.00 65.01 H new ATOM 0 HD11 LEU A 15 11.189 24.817 -1.921 1.00 14.21 H new ATOM 0 HD12 LEU A 15 11.255 23.168 -1.254 1.00 14.21 H new ATOM 0 HD13 LEU A 15 11.138 23.412 -3.013 1.00 14.21 H new ATOM 0 HD21 LEU A 15 9.096 25.751 -2.803 1.00 72.43 H new ATOM 0 HD22 LEU A 15 8.838 24.422 -3.958 1.00 72.43 H new ATOM 0 HD23 LEU A 15 7.581 24.819 -2.763 1.00 72.43 H new ATOM 240 N ALA A 16 8.651 19.043 -1.588 1.00 32.23 N ATOM 241 CA ALA A 16 8.053 17.707 -1.767 1.00 65.44 C ATOM 242 C ALA A 16 7.622 17.088 -0.416 1.00 54.43 C ATOM 243 O ALA A 16 6.681 16.283 -0.372 1.00 50.30 O ATOM 244 CB ALA A 16 9.007 16.764 -2.518 1.00 40.41 C ATOM 0 H ALA A 16 9.624 19.101 -1.887 1.00 32.23 H new ATOM 0 HA ALA A 16 7.157 17.836 -2.374 1.00 65.44 H new ATOM 0 HB1 ALA A 16 8.537 15.787 -2.634 1.00 40.41 H new ATOM 0 HB2 ALA A 16 9.229 17.179 -3.501 1.00 40.41 H new ATOM 0 HB3 ALA A 16 9.932 16.656 -1.952 1.00 40.41 H new ATOM 250 N LEU A 17 8.288 17.487 0.693 1.00 53.33 N ATOM 251 CA LEU A 17 7.922 17.004 2.036 1.00 42.35 C ATOM 252 C LEU A 17 6.671 17.745 2.532 1.00 44.13 C ATOM 253 O LEU A 17 5.930 17.210 3.349 1.00 2.51 O ATOM 254 CB LEU A 17 9.133 17.099 3.043 1.00 51.25 C ATOM 255 CG LEU A 17 9.257 18.373 3.984 1.00 34.11 C ATOM 256 CD1 LEU A 17 8.472 18.212 5.317 1.00 24.30 C ATOM 257 CD2 LEU A 17 10.736 18.725 4.262 1.00 62.32 C ATOM 0 H LEU A 17 9.074 18.137 0.680 1.00 53.33 H new ATOM 0 HA LEU A 17 7.676 15.944 1.976 1.00 42.35 H new ATOM 0 HB2 LEU A 17 9.096 16.219 3.685 1.00 51.25 H new ATOM 0 HB3 LEU A 17 10.051 17.030 2.460 1.00 51.25 H new ATOM 0 HG LEU A 17 8.800 19.200 3.441 1.00 34.11 H new ATOM 0 HD11 LEU A 17 8.592 19.112 5.921 1.00 24.30 H new ATOM 0 HD12 LEU A 17 7.415 18.058 5.100 1.00 24.30 H new ATOM 0 HD13 LEU A 17 8.859 17.353 5.865 1.00 24.30 H new ATOM 0 HD21 LEU A 17 10.786 19.601 4.909 1.00 62.32 H new ATOM 0 HD22 LEU A 17 11.224 17.883 4.753 1.00 62.32 H new ATOM 0 HD23 LEU A 17 11.242 18.939 3.321 1.00 62.32 H new ATOM 269 N MET A 18 6.433 18.962 2.009 1.00 42.03 N ATOM 270 CA MET A 18 5.303 19.807 2.447 1.00 64.00 C ATOM 271 C MET A 18 4.006 19.363 1.742 1.00 52.35 C ATOM 272 O MET A 18 2.924 19.338 2.350 1.00 31.41 O ATOM 273 CB MET A 18 5.615 21.304 2.163 1.00 55.33 C ATOM 274 CG MET A 18 6.914 21.809 2.809 1.00 54.52 C ATOM 275 SD MET A 18 6.946 21.548 4.599 1.00 20.24 S ATOM 276 CE MET A 18 8.537 22.243 5.054 1.00 33.51 C ATOM 0 H MET A 18 7.009 19.384 1.281 1.00 42.03 H new ATOM 0 HA MET A 18 5.161 19.689 3.521 1.00 64.00 H new ATOM 0 HB2 MET A 18 5.677 21.453 1.085 1.00 55.33 H new ATOM 0 HB3 MET A 18 4.784 21.911 2.522 1.00 55.33 H new ATOM 0 HG2 MET A 18 7.764 21.298 2.356 1.00 54.52 H new ATOM 0 HG3 MET A 18 7.031 22.872 2.598 1.00 54.52 H new ATOM 0 HE1 MET A 18 8.860 21.820 6.005 1.00 33.51 H new ATOM 0 HE2 MET A 18 9.271 22.006 4.284 1.00 33.51 H new ATOM 0 HE3 MET A 18 8.447 23.325 5.150 1.00 33.51 H new ATOM 286 N VAL A 19 4.140 18.982 0.457 1.00 23.15 N ATOM 287 CA VAL A 19 2.995 18.594 -0.392 1.00 43.43 C ATOM 288 C VAL A 19 2.429 17.205 -0.004 1.00 5.10 C ATOM 289 O VAL A 19 1.225 16.946 -0.169 1.00 32.42 O ATOM 290 CB VAL A 19 3.365 18.624 -1.919 1.00 51.25 C ATOM 291 CG1 VAL A 19 4.407 17.550 -2.270 1.00 14.55 C ATOM 292 CG2 VAL A 19 2.106 18.499 -2.813 1.00 72.11 C ATOM 0 H VAL A 19 5.040 18.934 -0.021 1.00 23.15 H new ATOM 0 HA VAL A 19 2.216 19.336 -0.215 1.00 43.43 H new ATOM 0 HB VAL A 19 3.815 19.596 -2.121 1.00 51.25 H new ATOM 0 HG11 VAL A 19 4.638 17.601 -3.334 1.00 14.55 H new ATOM 0 HG12 VAL A 19 5.315 17.722 -1.693 1.00 14.55 H new ATOM 0 HG13 VAL A 19 4.007 16.564 -2.032 1.00 14.55 H new ATOM 0 HG21 VAL A 19 2.401 18.524 -3.862 1.00 72.11 H new ATOM 0 HG22 VAL A 19 1.601 17.557 -2.600 1.00 72.11 H new ATOM 0 HG23 VAL A 19 1.429 19.328 -2.607 1.00 72.11 H new ATOM 302 N LYS A 20 3.295 16.313 0.511 1.00 35.10 N ATOM 303 CA LYS A 20 2.857 14.989 0.983 1.00 62.02 C ATOM 304 C LYS A 20 2.015 15.138 2.265 1.00 55.02 C ATOM 305 O LYS A 20 1.073 14.384 2.469 1.00 33.40 O ATOM 306 CB LYS A 20 4.061 14.027 1.211 1.00 61.02 C ATOM 307 CG LYS A 20 5.000 14.401 2.377 1.00 63.44 C ATOM 308 CD LYS A 20 6.195 13.429 2.582 1.00 50.34 C ATOM 309 CE LYS A 20 7.227 13.443 1.432 1.00 62.31 C ATOM 310 NZ LYS A 20 6.774 12.717 0.221 1.00 53.14 N ATOM 0 H LYS A 20 4.296 16.484 0.610 1.00 35.10 H new ATOM 0 HA LYS A 20 2.238 14.542 0.206 1.00 62.02 H new ATOM 0 HB2 LYS A 20 3.673 13.024 1.388 1.00 61.02 H new ATOM 0 HB3 LYS A 20 4.648 13.985 0.294 1.00 61.02 H new ATOM 0 HG2 LYS A 20 5.390 15.404 2.205 1.00 63.44 H new ATOM 0 HG3 LYS A 20 4.418 14.439 3.298 1.00 63.44 H new ATOM 0 HD2 LYS A 20 6.701 13.685 3.513 1.00 50.34 H new ATOM 0 HD3 LYS A 20 5.809 12.416 2.697 1.00 50.34 H new ATOM 0 HE2 LYS A 20 7.447 14.477 1.165 1.00 62.31 H new ATOM 0 HE3 LYS A 20 8.158 12.999 1.785 1.00 62.31 H new ATOM 0 HZ1 LYS A 20 7.425 11.930 0.024 1.00 53.14 H new ATOM 0 HZ2 LYS A 20 5.816 12.343 0.378 1.00 53.14 H new ATOM 0 HZ3 LYS A 20 6.762 13.368 -0.590 1.00 53.14 H new ATOM 324 N ASN A 21 2.342 16.165 3.083 1.00 62.04 N ATOM 325 CA ASN A 21 1.675 16.421 4.380 1.00 60.41 C ATOM 326 C ASN A 21 0.226 16.884 4.176 1.00 61.20 C ATOM 327 O ASN A 21 -0.677 16.440 4.893 1.00 33.32 O ATOM 328 CB ASN A 21 2.450 17.478 5.216 1.00 73.12 C ATOM 329 CG ASN A 21 3.869 17.052 5.581 1.00 74.23 C ATOM 330 OD1 ASN A 21 4.168 15.864 5.691 1.00 63.32 O ATOM 331 ND2 ASN A 21 4.751 18.023 5.781 1.00 75.21 N ATOM 0 H ASN A 21 3.075 16.839 2.862 1.00 62.04 H new ATOM 0 HA ASN A 21 1.669 15.479 4.929 1.00 60.41 H new ATOM 0 HB2 ASN A 21 2.494 18.411 4.655 1.00 73.12 H new ATOM 0 HB3 ASN A 21 1.895 17.682 6.131 1.00 73.12 H new ATOM 0 HD21 ASN A 21 5.712 17.795 6.035 1.00 75.21 H new ATOM 0 HD22 ASN A 21 4.468 18.998 5.681 1.00 75.21 H new ATOM 338 N LYS A 22 0.011 17.782 3.196 1.00 54.12 N ATOM 339 CA LYS A 22 -1.331 18.304 2.886 1.00 20.14 C ATOM 340 C LYS A 22 -2.171 17.231 2.164 1.00 62.03 C ATOM 341 O LYS A 22 -3.382 17.141 2.388 1.00 0.04 O ATOM 342 CB LYS A 22 -1.237 19.632 2.084 1.00 3.51 C ATOM 343 CG LYS A 22 -0.233 19.612 0.897 1.00 71.12 C ATOM 344 CD LYS A 22 -0.881 19.829 -0.483 1.00 33.50 C ATOM 345 CE LYS A 22 -1.408 21.263 -0.678 1.00 33.23 C ATOM 346 NZ LYS A 22 -1.952 21.475 -2.043 1.00 43.22 N ATOM 0 H LYS A 22 0.751 18.161 2.605 1.00 54.12 H new ATOM 0 HA LYS A 22 -1.845 18.540 3.818 1.00 20.14 H new ATOM 0 HB2 LYS A 22 -2.227 19.878 1.699 1.00 3.51 H new ATOM 0 HB3 LYS A 22 -0.953 20.432 2.767 1.00 3.51 H new ATOM 0 HG2 LYS A 22 0.518 20.385 1.058 1.00 71.12 H new ATOM 0 HG3 LYS A 22 0.289 18.655 0.894 1.00 71.12 H new ATOM 0 HD2 LYS A 22 -0.151 19.607 -1.261 1.00 33.50 H new ATOM 0 HD3 LYS A 22 -1.704 19.125 -0.607 1.00 33.50 H new ATOM 0 HE2 LYS A 22 -2.186 21.467 0.058 1.00 33.23 H new ATOM 0 HE3 LYS A 22 -0.602 21.974 -0.495 1.00 33.23 H new ATOM 0 HZ1 LYS A 22 -1.763 22.452 -2.344 1.00 43.22 H new ATOM 0 HZ2 LYS A 22 -1.496 20.815 -2.705 1.00 43.22 H new ATOM 0 HZ3 LYS A 22 -2.978 21.307 -2.038 1.00 43.22 H new ATOM 360 N GLY A 23 -1.503 16.394 1.338 1.00 51.24 N ATOM 361 CA GLY A 23 -2.141 15.210 0.742 1.00 12.21 C ATOM 362 C GLY A 23 -2.626 14.225 1.811 1.00 63.24 C ATOM 363 O GLY A 23 -3.727 13.659 1.700 1.00 15.34 O ATOM 0 H GLY A 23 -0.526 16.520 1.073 1.00 51.24 H new ATOM 0 HA2 GLY A 23 -2.985 15.523 0.127 1.00 12.21 H new ATOM 0 HA3 GLY A 23 -1.433 14.710 0.081 1.00 12.21 H new ATOM 367 N ASN A 24 -1.784 14.055 2.859 1.00 53.10 N ATOM 368 CA ASN A 24 -2.070 13.191 4.022 1.00 13.33 C ATOM 369 C ASN A 24 -3.299 13.684 4.785 1.00 22.44 C ATOM 370 O ASN A 24 -4.229 12.902 5.067 1.00 14.42 O ATOM 371 CB ASN A 24 -0.843 13.114 4.985 1.00 64.41 C ATOM 372 CG ASN A 24 0.262 12.129 4.557 1.00 61.02 C ATOM 373 OD1 ASN A 24 0.439 11.879 3.263 1.00 62.01 O flip ATOM 374 ND2 ASN A 24 0.949 11.577 5.405 1.00 33.33 N flip ATOM 0 H ASN A 24 -0.878 14.521 2.918 1.00 53.10 H new ATOM 0 HA ASN A 24 -2.274 12.191 3.639 1.00 13.33 H new ATOM 0 HB2 ASN A 24 -0.407 14.109 5.073 1.00 64.41 H new ATOM 0 HB3 ASN A 24 -1.196 12.831 5.977 1.00 64.41 H new ATOM 0 HD21 ASN A 24 0.800 11.780 6.393 1.00 33.33 H new ATOM 0 HD22 ASN A 24 1.671 10.913 5.124 1.00 33.33 H new ATOM 381 N GLU A 25 -3.299 14.991 5.125 1.00 2.31 N ATOM 382 CA GLU A 25 -4.357 15.573 5.955 1.00 73.15 C ATOM 383 C GLU A 25 -5.687 15.556 5.198 1.00 32.34 C ATOM 384 O GLU A 25 -6.700 15.249 5.803 1.00 73.11 O ATOM 385 CB GLU A 25 -4.015 17.005 6.459 1.00 63.43 C ATOM 386 CG GLU A 25 -4.072 18.120 5.398 1.00 15.34 C ATOM 387 CD GLU A 25 -3.716 19.508 5.948 1.00 5.21 C ATOM 388 OE1 GLU A 25 -4.572 20.132 6.613 1.00 40.13 O ATOM 389 OE2 GLU A 25 -2.582 19.985 5.717 1.00 2.31 O ATOM 0 H GLU A 25 -2.579 15.654 4.836 1.00 2.31 H new ATOM 0 HA GLU A 25 -4.445 14.953 6.847 1.00 73.15 H new ATOM 0 HB2 GLU A 25 -4.703 17.260 7.265 1.00 63.43 H new ATOM 0 HB3 GLU A 25 -3.013 16.989 6.889 1.00 63.43 H new ATOM 0 HG2 GLU A 25 -3.388 17.873 4.586 1.00 15.34 H new ATOM 0 HG3 GLU A 25 -5.074 18.153 4.971 1.00 15.34 H new ATOM 396 N CYS A 26 -5.650 15.827 3.862 1.00 60.13 N ATOM 397 CA CYS A 26 -6.856 15.813 2.998 1.00 1.50 C ATOM 398 C CYS A 26 -7.649 14.500 3.146 1.00 13.33 C ATOM 399 O CYS A 26 -8.838 14.527 3.503 1.00 25.51 O ATOM 400 CB CYS A 26 -6.479 16.052 1.522 1.00 54.41 C ATOM 401 SG CYS A 26 -5.852 17.709 1.186 1.00 53.21 S ATOM 0 H CYS A 26 -4.791 16.058 3.363 1.00 60.13 H new ATOM 0 HA CYS A 26 -7.500 16.628 3.329 1.00 1.50 H new ATOM 0 HB2 CYS A 26 -5.725 15.322 1.227 1.00 54.41 H new ATOM 0 HB3 CYS A 26 -7.356 15.873 0.900 1.00 54.41 H new ATOM 0 HG CYS A 26 -4.681 17.849 1.733 1.00 53.21 H new ATOM 407 N PHE A 27 -6.951 13.360 2.944 1.00 63.45 N ATOM 408 CA PHE A 27 -7.538 12.015 3.112 1.00 64.32 C ATOM 409 C PHE A 27 -8.168 11.858 4.514 1.00 62.32 C ATOM 410 O PHE A 27 -9.324 11.419 4.660 1.00 31.02 O ATOM 411 CB PHE A 27 -6.457 10.925 2.873 1.00 4.32 C ATOM 412 CG PHE A 27 -6.979 9.492 2.982 1.00 60.52 C ATOM 413 CD1 PHE A 27 -7.881 8.987 2.046 1.00 32.33 C ATOM 414 CD2 PHE A 27 -6.586 8.659 4.025 1.00 22.31 C ATOM 415 CE1 PHE A 27 -8.365 7.702 2.147 1.00 12.14 C ATOM 416 CE2 PHE A 27 -7.074 7.373 4.127 1.00 72.42 C ATOM 417 CZ PHE A 27 -7.962 6.895 3.187 1.00 73.32 C ATOM 0 H PHE A 27 -5.971 13.348 2.662 1.00 63.45 H new ATOM 0 HA PHE A 27 -8.330 11.891 2.373 1.00 64.32 H new ATOM 0 HB2 PHE A 27 -6.025 11.068 1.883 1.00 4.32 H new ATOM 0 HB3 PHE A 27 -5.652 11.063 3.595 1.00 4.32 H new ATOM 0 HD1 PHE A 27 -8.205 9.614 1.229 1.00 32.33 H new ATOM 0 HD2 PHE A 27 -5.889 9.024 4.765 1.00 22.31 H new ATOM 0 HE1 PHE A 27 -9.061 7.327 1.411 1.00 12.14 H new ATOM 0 HE2 PHE A 27 -6.760 6.740 4.944 1.00 72.42 H new ATOM 0 HZ PHE A 27 -8.342 5.887 3.267 1.00 73.32 H new ATOM 427 N GLN A 28 -7.406 12.312 5.523 1.00 3.41 N ATOM 428 CA GLN A 28 -7.794 12.273 6.940 1.00 3.51 C ATOM 429 C GLN A 28 -9.059 13.126 7.211 1.00 71.00 C ATOM 430 O GLN A 28 -9.827 12.799 8.118 1.00 75.01 O ATOM 431 CB GLN A 28 -6.601 12.770 7.804 1.00 1.54 C ATOM 432 CG GLN A 28 -6.826 12.796 9.335 1.00 50.20 C ATOM 433 CD GLN A 28 -7.059 11.416 9.975 1.00 11.24 C ATOM 434 OE1 GLN A 28 -7.799 11.302 10.952 1.00 4.21 O ATOM 435 NE2 GLN A 28 -6.408 10.370 9.463 1.00 53.22 N ATOM 0 H GLN A 28 -6.485 12.724 5.372 1.00 3.41 H new ATOM 0 HA GLN A 28 -8.040 11.245 7.208 1.00 3.51 H new ATOM 0 HB2 GLN A 28 -5.740 12.135 7.596 1.00 1.54 H new ATOM 0 HB3 GLN A 28 -6.340 13.777 7.480 1.00 1.54 H new ATOM 0 HG2 GLN A 28 -5.960 13.259 9.808 1.00 50.20 H new ATOM 0 HG3 GLN A 28 -7.685 13.431 9.551 1.00 50.20 H new ATOM 0 HE21 GLN A 28 -5.801 10.494 8.653 1.00 53.22 H new ATOM 0 HE22 GLN A 28 -6.517 9.446 9.882 1.00 53.22 H new ATOM 444 N LYS A 29 -9.302 14.198 6.402 1.00 63.54 N ATOM 445 CA LYS A 29 -10.487 15.080 6.602 1.00 65.31 C ATOM 446 C LYS A 29 -11.785 14.357 6.155 1.00 11.54 C ATOM 447 O LYS A 29 -12.893 14.839 6.421 1.00 54.24 O ATOM 448 CB LYS A 29 -10.360 16.441 5.831 1.00 21.15 C ATOM 449 CG LYS A 29 -8.989 17.159 5.917 1.00 43.20 C ATOM 450 CD LYS A 29 -8.472 17.461 7.357 1.00 22.53 C ATOM 451 CE LYS A 29 -8.809 18.880 7.849 1.00 52.11 C ATOM 452 NZ LYS A 29 -10.273 19.126 7.935 1.00 1.45 N ATOM 0 H LYS A 29 -8.705 14.467 5.620 1.00 63.54 H new ATOM 0 HA LYS A 29 -10.533 15.302 7.668 1.00 65.31 H new ATOM 0 HB2 LYS A 29 -10.585 16.260 4.780 1.00 21.15 H new ATOM 0 HB3 LYS A 29 -11.125 17.120 6.208 1.00 21.15 H new ATOM 0 HG2 LYS A 29 -8.246 16.547 5.405 1.00 43.20 H new ATOM 0 HG3 LYS A 29 -9.058 18.100 5.371 1.00 43.20 H new ATOM 0 HD2 LYS A 29 -8.901 16.735 8.048 1.00 22.53 H new ATOM 0 HD3 LYS A 29 -7.391 17.324 7.382 1.00 22.53 H new ATOM 0 HE2 LYS A 29 -8.360 19.036 8.830 1.00 52.11 H new ATOM 0 HE3 LYS A 29 -8.361 19.610 7.174 1.00 52.11 H new ATOM 0 HZ1 LYS A 29 -10.444 20.057 8.366 1.00 1.45 H new ATOM 0 HZ2 LYS A 29 -10.685 19.106 6.980 1.00 1.45 H new ATOM 0 HZ3 LYS A 29 -10.715 18.388 8.519 1.00 1.45 H new ATOM 466 N GLY A 30 -11.616 13.204 5.465 1.00 70.04 N ATOM 467 CA GLY A 30 -12.728 12.401 4.964 1.00 74.43 C ATOM 468 C GLY A 30 -12.779 12.378 3.451 1.00 74.24 C ATOM 469 O GLY A 30 -13.788 11.966 2.881 1.00 52.21 O ATOM 0 H GLY A 30 -10.699 12.815 5.246 1.00 70.04 H new ATOM 0 HA2 GLY A 30 -12.636 11.382 5.339 1.00 74.43 H new ATOM 0 HA3 GLY A 30 -13.666 12.799 5.352 1.00 74.43 H new ATOM 473 N ASP A 31 -11.690 12.828 2.803 1.00 63.32 N ATOM 474 CA ASP A 31 -11.587 12.873 1.335 1.00 1.42 C ATOM 475 C ASP A 31 -10.913 11.591 0.828 1.00 24.22 C ATOM 476 O ASP A 31 -9.699 11.539 0.742 1.00 50.55 O ATOM 477 CB ASP A 31 -10.779 14.123 0.878 1.00 32.14 C ATOM 478 CG ASP A 31 -11.439 15.443 1.293 1.00 23.32 C ATOM 479 OD1 ASP A 31 -11.297 15.839 2.467 1.00 61.13 O ATOM 480 OD2 ASP A 31 -12.120 16.085 0.464 1.00 62.13 O ATOM 0 H ASP A 31 -10.857 13.170 3.283 1.00 63.32 H new ATOM 0 HA ASP A 31 -12.590 12.944 0.914 1.00 1.42 H new ATOM 0 HB2 ASP A 31 -9.775 14.075 1.301 1.00 32.14 H new ATOM 0 HB3 ASP A 31 -10.669 14.102 -0.206 1.00 32.14 H new ATOM 485 N TYR A 32 -11.704 10.546 0.535 1.00 41.41 N ATOM 486 CA TYR A 32 -11.175 9.253 0.038 1.00 43.11 C ATOM 487 C TYR A 32 -10.790 9.325 -1.476 1.00 72.50 C ATOM 488 O TYR A 32 -9.645 8.989 -1.820 1.00 12.12 O ATOM 489 CB TYR A 32 -12.164 8.079 0.349 1.00 31.20 C ATOM 490 CG TYR A 32 -12.260 7.722 1.843 1.00 33.11 C ATOM 491 CD1 TYR A 32 -12.776 8.635 2.769 1.00 33.44 C ATOM 492 CD2 TYR A 32 -11.816 6.489 2.328 1.00 23.23 C ATOM 493 CE1 TYR A 32 -12.839 8.337 4.114 1.00 71.53 C ATOM 494 CE2 TYR A 32 -11.886 6.186 3.676 1.00 14.22 C ATOM 495 CZ TYR A 32 -12.396 7.114 4.562 1.00 75.41 C ATOM 496 OH TYR A 32 -12.460 6.820 5.908 1.00 51.23 O ATOM 0 H TYR A 32 -12.719 10.566 0.633 1.00 41.41 H new ATOM 0 HA TYR A 32 -10.252 9.043 0.578 1.00 43.11 H new ATOM 0 HB2 TYR A 32 -13.156 8.347 -0.015 1.00 31.20 H new ATOM 0 HB3 TYR A 32 -11.849 7.195 -0.206 1.00 31.20 H new ATOM 0 HD1 TYR A 32 -13.133 9.594 2.423 1.00 33.44 H new ATOM 0 HD2 TYR A 32 -11.412 5.761 1.640 1.00 23.23 H new ATOM 0 HE1 TYR A 32 -13.234 9.060 4.812 1.00 71.53 H new ATOM 0 HE2 TYR A 32 -11.543 5.227 4.034 1.00 14.22 H new ATOM 0 HH TYR A 32 -12.110 5.918 6.063 1.00 51.23 H new ATOM 506 N PRO A 33 -11.711 9.768 -2.425 1.00 65.51 N ATOM 507 CA PRO A 33 -11.345 9.939 -3.854 1.00 44.44 C ATOM 508 C PRO A 33 -10.387 11.134 -4.082 1.00 3.21 C ATOM 509 O PRO A 33 -9.310 10.982 -4.691 1.00 44.43 O ATOM 510 CB PRO A 33 -12.709 10.152 -4.561 1.00 74.34 C ATOM 511 CG PRO A 33 -13.615 10.711 -3.506 1.00 64.35 C ATOM 512 CD PRO A 33 -13.164 10.072 -2.211 1.00 35.51 C ATOM 0 HA PRO A 33 -10.797 9.081 -4.242 1.00 44.44 H new ATOM 0 HB2 PRO A 33 -12.614 10.838 -5.402 1.00 74.34 H new ATOM 0 HB3 PRO A 33 -13.098 9.214 -4.957 1.00 74.34 H new ATOM 0 HG2 PRO A 33 -13.537 11.797 -3.456 1.00 64.35 H new ATOM 0 HG3 PRO A 33 -14.658 10.475 -3.718 1.00 64.35 H new ATOM 0 HD2 PRO A 33 -13.308 10.745 -1.366 1.00 35.51 H new ATOM 0 HD3 PRO A 33 -13.731 9.166 -1.997 1.00 35.51 H new ATOM 520 N GLN A 34 -10.772 12.307 -3.527 1.00 31.43 N ATOM 521 CA GLN A 34 -10.016 13.566 -3.667 1.00 61.05 C ATOM 522 C GLN A 34 -8.584 13.442 -3.120 1.00 32.42 C ATOM 523 O GLN A 34 -7.699 14.199 -3.535 1.00 10.52 O ATOM 524 CB GLN A 34 -10.764 14.724 -2.959 1.00 51.24 C ATOM 525 CG GLN A 34 -12.122 15.100 -3.590 1.00 0.25 C ATOM 526 CD GLN A 34 -12.000 15.632 -5.025 1.00 24.40 C ATOM 527 OE1 GLN A 34 -11.815 16.832 -5.242 1.00 13.22 O ATOM 528 NE2 GLN A 34 -12.135 14.755 -6.008 1.00 64.12 N ATOM 0 H GLN A 34 -11.620 12.403 -2.968 1.00 31.43 H new ATOM 0 HA GLN A 34 -9.941 13.785 -4.732 1.00 61.05 H new ATOM 0 HB2 GLN A 34 -10.927 14.449 -1.917 1.00 51.24 H new ATOM 0 HB3 GLN A 34 -10.123 15.606 -2.959 1.00 51.24 H new ATOM 0 HG2 GLN A 34 -12.770 14.224 -3.589 1.00 0.25 H new ATOM 0 HG3 GLN A 34 -12.606 15.855 -2.970 1.00 0.25 H new ATOM 0 HE21 GLN A 34 -12.287 13.769 -5.795 1.00 64.12 H new ATOM 0 HE22 GLN A 34 -12.087 15.065 -6.978 1.00 64.12 H new ATOM 537 N ALA A 35 -8.374 12.469 -2.205 1.00 40.21 N ATOM 538 CA ALA A 35 -7.047 12.131 -1.691 1.00 30.24 C ATOM 539 C ALA A 35 -6.078 11.816 -2.825 1.00 13.41 C ATOM 540 O ALA A 35 -5.009 12.407 -2.857 1.00 20.13 O ATOM 541 CB ALA A 35 -7.103 10.950 -0.740 1.00 30.03 C ATOM 0 H ALA A 35 -9.124 11.903 -1.809 1.00 40.21 H new ATOM 0 HA ALA A 35 -6.689 13.005 -1.148 1.00 30.24 H new ATOM 0 HB1 ALA A 35 -6.100 10.727 -0.378 1.00 30.03 H new ATOM 0 HB2 ALA A 35 -7.748 11.193 0.104 1.00 30.03 H new ATOM 0 HB3 ALA A 35 -7.502 10.081 -1.263 1.00 30.03 H new ATOM 547 N MET A 36 -6.487 10.941 -3.794 1.00 72.24 N ATOM 548 CA MET A 36 -5.576 10.508 -4.888 1.00 24.12 C ATOM 549 C MET A 36 -5.059 11.722 -5.678 1.00 31.13 C ATOM 550 O MET A 36 -3.906 11.742 -6.095 1.00 64.14 O ATOM 551 CB MET A 36 -6.237 9.514 -5.890 1.00 45.21 C ATOM 552 CG MET A 36 -6.621 8.136 -5.323 1.00 40.12 C ATOM 553 SD MET A 36 -8.327 8.047 -4.749 1.00 60.50 S ATOM 554 CE MET A 36 -9.218 8.185 -6.309 1.00 62.33 C ATOM 0 H MET A 36 -7.421 10.533 -3.836 1.00 72.24 H new ATOM 0 HA MET A 36 -4.755 9.989 -4.394 1.00 24.12 H new ATOM 0 HB2 MET A 36 -7.135 9.981 -6.294 1.00 45.21 H new ATOM 0 HB3 MET A 36 -5.553 9.363 -6.725 1.00 45.21 H new ATOM 0 HG2 MET A 36 -6.464 7.379 -6.091 1.00 40.12 H new ATOM 0 HG3 MET A 36 -5.954 7.893 -4.496 1.00 40.12 H new ATOM 0 HE1 MET A 36 -10.212 7.752 -6.200 1.00 62.33 H new ATOM 0 HE2 MET A 36 -9.308 9.236 -6.585 1.00 62.33 H new ATOM 0 HE3 MET A 36 -8.673 7.651 -7.088 1.00 62.33 H new ATOM 564 N LYS A 37 -5.925 12.733 -5.816 1.00 74.15 N ATOM 565 CA LYS A 37 -5.646 13.961 -6.576 1.00 1.01 C ATOM 566 C LYS A 37 -4.745 14.915 -5.765 1.00 63.30 C ATOM 567 O LYS A 37 -3.834 15.549 -6.314 1.00 14.20 O ATOM 568 CB LYS A 37 -6.984 14.641 -6.962 1.00 44.20 C ATOM 569 CG LYS A 37 -8.003 13.666 -7.591 1.00 55.41 C ATOM 570 CD LYS A 37 -9.252 14.372 -8.156 1.00 4.53 C ATOM 571 CE LYS A 37 -10.191 13.394 -8.877 1.00 54.12 C ATOM 572 NZ LYS A 37 -9.528 12.727 -10.034 1.00 44.33 N ATOM 0 H LYS A 37 -6.855 12.722 -5.397 1.00 74.15 H new ATOM 0 HA LYS A 37 -5.107 13.705 -7.488 1.00 1.01 H new ATOM 0 HB2 LYS A 37 -7.424 15.093 -6.073 1.00 44.20 H new ATOM 0 HB3 LYS A 37 -6.784 15.450 -7.665 1.00 44.20 H new ATOM 0 HG2 LYS A 37 -7.516 13.108 -8.391 1.00 55.41 H new ATOM 0 HG3 LYS A 37 -8.313 12.940 -6.839 1.00 55.41 H new ATOM 0 HD2 LYS A 37 -9.791 14.859 -7.344 1.00 4.53 H new ATOM 0 HD3 LYS A 37 -8.943 15.155 -8.849 1.00 4.53 H new ATOM 0 HE2 LYS A 37 -10.536 12.637 -8.172 1.00 54.12 H new ATOM 0 HE3 LYS A 37 -11.073 13.930 -9.226 1.00 54.12 H new ATOM 0 HZ1 LYS A 37 -10.247 12.266 -10.628 1.00 44.33 H new ATOM 0 HZ2 LYS A 37 -9.017 13.436 -10.597 1.00 44.33 H new ATOM 0 HZ3 LYS A 37 -8.857 12.013 -9.685 1.00 44.33 H new ATOM 586 N HIS A 38 -4.992 14.977 -4.444 1.00 23.15 N ATOM 587 CA HIS A 38 -4.135 15.720 -3.488 1.00 42.12 C ATOM 588 C HIS A 38 -2.765 15.029 -3.319 1.00 51.52 C ATOM 589 O HIS A 38 -1.799 15.642 -2.850 1.00 33.12 O ATOM 590 CB HIS A 38 -4.851 15.901 -2.123 1.00 61.05 C ATOM 591 CG HIS A 38 -5.986 16.896 -2.156 1.00 0.45 C ATOM 592 ND1 HIS A 38 -5.793 18.231 -2.431 1.00 65.31 N ATOM 593 CD2 HIS A 38 -7.319 16.756 -1.934 1.00 43.34 C ATOM 594 CE1 HIS A 38 -6.949 18.862 -2.375 1.00 5.03 C ATOM 595 NE2 HIS A 38 -7.888 17.993 -2.079 1.00 34.20 N ATOM 0 H HIS A 38 -5.789 14.516 -4.005 1.00 23.15 H new ATOM 0 HA HIS A 38 -3.954 16.713 -3.899 1.00 42.12 H new ATOM 0 HB2 HIS A 38 -5.236 14.936 -1.795 1.00 61.05 H new ATOM 0 HB3 HIS A 38 -4.121 16.222 -1.380 1.00 61.05 H new ATOM 0 HD1 HIS A 38 -4.895 18.665 -2.645 1.00 65.31 H new ATOM 0 HD2 HIS A 38 -7.834 15.839 -1.689 1.00 43.34 H new ATOM 0 HE1 HIS A 38 -7.099 19.918 -2.544 1.00 5.03 H new ATOM 604 N TYR A 39 -2.714 13.733 -3.647 1.00 72.34 N ATOM 605 CA TYR A 39 -1.460 12.981 -3.757 1.00 53.21 C ATOM 606 C TYR A 39 -0.854 13.069 -5.172 1.00 62.20 C ATOM 607 O TYR A 39 0.343 12.898 -5.306 1.00 62.13 O ATOM 608 CB TYR A 39 -1.659 11.508 -3.334 1.00 43.14 C ATOM 609 CG TYR A 39 -1.764 11.298 -1.808 1.00 13.53 C ATOM 610 CD1 TYR A 39 -0.628 11.316 -1.005 1.00 43.12 C ATOM 611 CD2 TYR A 39 -2.986 11.050 -1.183 1.00 12.11 C ATOM 612 CE1 TYR A 39 -0.713 11.089 0.357 1.00 61.41 C ATOM 613 CE2 TYR A 39 -3.074 10.815 0.170 1.00 5.23 C ATOM 614 CZ TYR A 39 -1.940 10.838 0.935 1.00 30.22 C ATOM 615 OH TYR A 39 -2.034 10.580 2.284 1.00 23.11 O ATOM 0 H TYR A 39 -3.545 13.175 -3.844 1.00 72.34 H new ATOM 0 HA TYR A 39 -0.749 13.442 -3.072 1.00 53.21 H new ATOM 0 HB2 TYR A 39 -2.564 11.125 -3.806 1.00 43.14 H new ATOM 0 HB3 TYR A 39 -0.826 10.916 -3.715 1.00 43.14 H new ATOM 0 HD1 TYR A 39 0.336 11.510 -1.452 1.00 43.12 H new ATOM 0 HD2 TYR A 39 -3.888 11.042 -1.777 1.00 12.11 H new ATOM 0 HE1 TYR A 39 0.179 11.108 0.966 1.00 61.41 H new ATOM 0 HE2 TYR A 39 -4.032 10.614 0.625 1.00 5.23 H new ATOM 0 HH TYR A 39 -1.178 10.782 2.716 1.00 23.11 H new ATOM 625 N THR A 40 -1.668 13.325 -6.227 1.00 70.25 N ATOM 626 CA THR A 40 -1.149 13.408 -7.621 1.00 31.22 C ATOM 627 C THR A 40 -0.152 14.576 -7.740 1.00 31.21 C ATOM 628 O THR A 40 0.945 14.424 -8.301 1.00 33.25 O ATOM 629 CB THR A 40 -2.286 13.580 -8.697 1.00 70.11 C ATOM 630 OG1 THR A 40 -3.255 12.526 -8.578 1.00 74.34 O ATOM 631 CG2 THR A 40 -1.725 13.569 -10.139 1.00 74.15 C ATOM 0 H THR A 40 -2.673 13.476 -6.144 1.00 70.25 H new ATOM 0 HA THR A 40 -0.654 12.459 -7.826 1.00 31.22 H new ATOM 0 HB THR A 40 -2.752 14.547 -8.508 1.00 70.11 H new ATOM 0 HG1 THR A 40 -3.280 12.207 -7.652 1.00 74.34 H new ATOM 0 HG21 THR A 40 -2.543 13.690 -10.849 1.00 74.15 H new ATOM 0 HG22 THR A 40 -1.016 14.388 -10.260 1.00 74.15 H new ATOM 0 HG23 THR A 40 -1.220 12.621 -10.326 1.00 74.15 H new ATOM 639 N GLU A 41 -0.544 15.725 -7.158 1.00 54.42 N ATOM 640 CA GLU A 41 0.322 16.916 -7.054 1.00 61.22 C ATOM 641 C GLU A 41 1.591 16.596 -6.223 1.00 22.53 C ATOM 642 O GLU A 41 2.677 17.114 -6.516 1.00 33.30 O ATOM 643 CB GLU A 41 -0.474 18.100 -6.432 1.00 14.23 C ATOM 644 CG GLU A 41 -1.074 17.803 -5.040 1.00 65.13 C ATOM 645 CD GLU A 41 -1.848 18.983 -4.423 1.00 73.43 C ATOM 646 OE1 GLU A 41 -1.302 20.092 -4.383 1.00 43.11 O ATOM 647 OE2 GLU A 41 -3.007 18.813 -3.981 1.00 13.40 O ATOM 0 H GLU A 41 -1.469 15.854 -6.747 1.00 54.42 H new ATOM 0 HA GLU A 41 0.645 17.208 -8.053 1.00 61.22 H new ATOM 0 HB2 GLU A 41 0.186 18.964 -6.353 1.00 14.23 H new ATOM 0 HB3 GLU A 41 -1.281 18.376 -7.111 1.00 14.23 H new ATOM 0 HG2 GLU A 41 -1.743 16.946 -5.120 1.00 65.13 H new ATOM 0 HG3 GLU A 41 -0.269 17.517 -4.363 1.00 65.13 H new ATOM 654 N ALA A 42 1.438 15.701 -5.215 1.00 31.23 N ATOM 655 CA ALA A 42 2.550 15.245 -4.363 1.00 22.12 C ATOM 656 C ALA A 42 3.543 14.390 -5.163 1.00 5.12 C ATOM 657 O ALA A 42 4.746 14.584 -5.035 1.00 63.43 O ATOM 658 CB ALA A 42 2.028 14.497 -3.125 1.00 65.21 C ATOM 0 H ALA A 42 0.540 15.280 -4.976 1.00 31.23 H new ATOM 0 HA ALA A 42 3.087 16.125 -4.010 1.00 22.12 H new ATOM 0 HB1 ALA A 42 2.870 14.172 -2.514 1.00 65.21 H new ATOM 0 HB2 ALA A 42 1.391 15.161 -2.541 1.00 65.21 H new ATOM 0 HB3 ALA A 42 1.452 13.627 -3.441 1.00 65.21 H new ATOM 664 N ILE A 43 3.019 13.485 -6.029 1.00 52.42 N ATOM 665 CA ILE A 43 3.845 12.587 -6.872 1.00 2.34 C ATOM 666 C ILE A 43 4.663 13.414 -7.886 1.00 72.44 C ATOM 667 O ILE A 43 5.803 13.077 -8.186 1.00 30.30 O ATOM 668 CB ILE A 43 2.955 11.469 -7.597 1.00 25.41 C ATOM 669 CG1 ILE A 43 2.786 10.191 -6.698 1.00 21.24 C ATOM 670 CG2 ILE A 43 3.505 11.058 -8.993 1.00 74.41 C ATOM 671 CD1 ILE A 43 1.985 10.374 -5.426 1.00 12.14 C ATOM 0 H ILE A 43 2.015 13.359 -6.161 1.00 52.42 H new ATOM 0 HA ILE A 43 4.542 12.056 -6.224 1.00 2.34 H new ATOM 0 HB ILE A 43 1.980 11.931 -7.752 1.00 25.41 H new ATOM 0 HG12 ILE A 43 2.310 9.412 -7.294 1.00 21.24 H new ATOM 0 HG13 ILE A 43 3.778 9.826 -6.430 1.00 21.24 H new ATOM 0 HG21 ILE A 43 2.857 10.298 -9.430 1.00 74.41 H new ATOM 0 HG22 ILE A 43 3.532 11.931 -9.645 1.00 74.41 H new ATOM 0 HG23 ILE A 43 4.512 10.656 -8.883 1.00 74.41 H new ATOM 0 HD11 ILE A 43 1.935 9.427 -4.888 1.00 12.14 H new ATOM 0 HD12 ILE A 43 2.466 11.124 -4.798 1.00 12.14 H new ATOM 0 HD13 ILE A 43 0.976 10.703 -5.675 1.00 12.14 H new ATOM 683 N LYS A 44 4.091 14.526 -8.377 1.00 35.44 N ATOM 684 CA LYS A 44 4.800 15.431 -9.318 1.00 10.41 C ATOM 685 C LYS A 44 6.035 16.079 -8.657 1.00 1.31 C ATOM 686 O LYS A 44 6.974 16.481 -9.345 1.00 62.44 O ATOM 687 CB LYS A 44 3.828 16.508 -9.882 1.00 10.10 C ATOM 688 CG LYS A 44 2.626 15.914 -10.648 1.00 53.44 C ATOM 689 CD LYS A 44 3.059 14.987 -11.811 1.00 31.34 C ATOM 690 CE LYS A 44 1.889 14.212 -12.426 1.00 0.21 C ATOM 691 NZ LYS A 44 2.352 13.279 -13.487 1.00 40.25 N ATOM 0 H LYS A 44 3.144 14.825 -8.144 1.00 35.44 H new ATOM 0 HA LYS A 44 5.160 14.831 -10.153 1.00 10.41 H new ATOM 0 HB2 LYS A 44 3.458 17.118 -9.058 1.00 10.10 H new ATOM 0 HB3 LYS A 44 4.380 17.172 -10.547 1.00 10.10 H new ATOM 0 HG2 LYS A 44 2.000 15.352 -9.955 1.00 53.44 H new ATOM 0 HG3 LYS A 44 2.015 16.726 -11.043 1.00 53.44 H new ATOM 0 HD2 LYS A 44 3.539 15.585 -12.586 1.00 31.34 H new ATOM 0 HD3 LYS A 44 3.804 14.280 -11.447 1.00 31.34 H new ATOM 0 HE2 LYS A 44 1.373 13.651 -11.647 1.00 0.21 H new ATOM 0 HE3 LYS A 44 1.167 14.913 -12.846 1.00 0.21 H new ATOM 0 HZ1 LYS A 44 1.536 12.770 -13.882 1.00 40.25 H new ATOM 0 HZ2 LYS A 44 2.823 13.818 -14.242 1.00 40.25 H new ATOM 0 HZ3 LYS A 44 3.022 12.595 -13.080 1.00 40.25 H new ATOM 705 N ARG A 45 6.022 16.145 -7.318 1.00 33.32 N ATOM 706 CA ARG A 45 7.136 16.668 -6.509 1.00 4.13 C ATOM 707 C ARG A 45 8.072 15.534 -6.047 1.00 11.33 C ATOM 708 O ARG A 45 9.293 15.710 -6.013 1.00 15.01 O ATOM 709 CB ARG A 45 6.563 17.429 -5.289 1.00 31.51 C ATOM 710 CG ARG A 45 5.721 18.660 -5.670 1.00 14.32 C ATOM 711 CD ARG A 45 6.558 19.739 -6.373 1.00 51.30 C ATOM 712 NE ARG A 45 5.750 20.868 -6.865 1.00 33.13 N ATOM 713 CZ ARG A 45 6.257 22.052 -7.260 1.00 73.32 C ATOM 714 NH1 ARG A 45 7.571 22.277 -7.233 1.00 4.11 N ATOM 715 NH2 ARG A 45 5.443 23.000 -7.700 1.00 45.23 N ATOM 0 H ARG A 45 5.229 15.833 -6.758 1.00 33.32 H new ATOM 0 HA ARG A 45 7.726 17.349 -7.121 1.00 4.13 H new ATOM 0 HB2 ARG A 45 5.949 16.747 -4.702 1.00 31.51 H new ATOM 0 HB3 ARG A 45 7.387 17.746 -4.650 1.00 31.51 H new ATOM 0 HG2 ARG A 45 4.905 18.352 -6.324 1.00 14.32 H new ATOM 0 HG3 ARG A 45 5.269 19.081 -4.772 1.00 14.32 H new ATOM 0 HD2 ARG A 45 7.312 20.114 -5.681 1.00 51.30 H new ATOM 0 HD3 ARG A 45 7.090 19.289 -7.211 1.00 51.30 H new ATOM 0 HE ARG A 45 4.738 20.745 -6.910 1.00 33.13 H new ATOM 0 HH11 ARG A 45 8.207 21.548 -6.910 1.00 4.11 H new ATOM 0 HH12 ARG A 45 7.940 23.178 -7.535 1.00 4.11 H new ATOM 0 HH21 ARG A 45 4.438 22.832 -7.738 1.00 45.23 H new ATOM 0 HH22 ARG A 45 5.822 23.898 -8.000 1.00 45.23 H new ATOM 729 N ASN A 46 7.483 14.373 -5.698 1.00 30.33 N ATOM 730 CA ASN A 46 8.230 13.207 -5.161 1.00 72.42 C ATOM 731 C ASN A 46 7.817 11.885 -5.863 1.00 50.43 C ATOM 732 O ASN A 46 7.246 10.985 -5.242 1.00 4.31 O ATOM 733 CB ASN A 46 8.104 13.137 -3.597 1.00 61.41 C ATOM 734 CG ASN A 46 6.688 13.312 -3.011 1.00 75.42 C ATOM 735 OD1 ASN A 46 6.474 14.143 -2.134 1.00 43.52 O ATOM 736 ND2 ASN A 46 5.722 12.515 -3.429 1.00 72.25 N ATOM 0 H ASN A 46 6.479 14.212 -5.778 1.00 30.33 H new ATOM 0 HA ASN A 46 9.287 13.345 -5.388 1.00 72.42 H new ATOM 0 HB2 ASN A 46 8.493 12.174 -3.266 1.00 61.41 H new ATOM 0 HB3 ASN A 46 8.748 13.905 -3.168 1.00 61.41 H new ATOM 0 HD21 ASN A 46 4.789 12.587 -3.022 1.00 72.25 H new ATOM 0 HD22 ASN A 46 5.908 11.827 -4.159 1.00 72.25 H new ATOM 743 N PRO A 47 8.169 11.713 -7.188 1.00 12.41 N ATOM 744 CA PRO A 47 7.691 10.561 -8.005 1.00 61.42 C ATOM 745 C PRO A 47 8.421 9.243 -7.685 1.00 23.42 C ATOM 746 O PRO A 47 8.085 8.201 -8.247 1.00 13.14 O ATOM 747 CB PRO A 47 7.975 11.035 -9.449 1.00 34.31 C ATOM 748 CG PRO A 47 9.184 11.912 -9.328 1.00 51.34 C ATOM 749 CD PRO A 47 9.064 12.610 -7.986 1.00 20.12 C ATOM 0 HA PRO A 47 6.645 10.322 -7.814 1.00 61.42 H new ATOM 0 HB2 PRO A 47 8.162 10.191 -10.114 1.00 34.31 H new ATOM 0 HB3 PRO A 47 7.127 11.583 -9.860 1.00 34.31 H new ATOM 0 HG2 PRO A 47 10.100 11.323 -9.381 1.00 51.34 H new ATOM 0 HG3 PRO A 47 9.223 12.636 -10.142 1.00 51.34 H new ATOM 0 HD2 PRO A 47 10.037 12.729 -7.510 1.00 20.12 H new ATOM 0 HD3 PRO A 47 8.637 13.607 -8.092 1.00 20.12 H new ATOM 757 N LYS A 48 9.435 9.316 -6.800 1.00 64.14 N ATOM 758 CA LYS A 48 10.243 8.153 -6.384 1.00 61.02 C ATOM 759 C LYS A 48 9.742 7.581 -5.047 1.00 23.33 C ATOM 760 O LYS A 48 10.067 6.438 -4.709 1.00 63.53 O ATOM 761 CB LYS A 48 11.744 8.555 -6.284 1.00 32.53 C ATOM 762 CG LYS A 48 12.300 9.227 -7.553 1.00 34.23 C ATOM 763 CD LYS A 48 12.143 8.336 -8.803 1.00 44.30 C ATOM 764 CE LYS A 48 12.642 9.020 -10.074 1.00 42.22 C ATOM 765 NZ LYS A 48 14.112 9.227 -10.059 1.00 63.44 N ATOM 0 H LYS A 48 9.718 10.188 -6.352 1.00 64.14 H new ATOM 0 HA LYS A 48 10.138 7.373 -7.138 1.00 61.02 H new ATOM 0 HB2 LYS A 48 11.872 9.233 -5.441 1.00 32.53 H new ATOM 0 HB3 LYS A 48 12.334 7.664 -6.069 1.00 32.53 H new ATOM 0 HG2 LYS A 48 11.784 10.173 -7.717 1.00 34.23 H new ATOM 0 HG3 LYS A 48 13.354 9.460 -7.406 1.00 34.23 H new ATOM 0 HD2 LYS A 48 12.693 7.407 -8.654 1.00 44.30 H new ATOM 0 HD3 LYS A 48 11.093 8.069 -8.926 1.00 44.30 H new ATOM 0 HE2 LYS A 48 12.371 8.416 -10.940 1.00 42.22 H new ATOM 0 HE3 LYS A 48 12.142 9.982 -10.187 1.00 42.22 H new ATOM 0 HZ1 LYS A 48 14.413 9.647 -10.961 1.00 63.44 H new ATOM 0 HZ2 LYS A 48 14.365 9.866 -9.278 1.00 63.44 H new ATOM 0 HZ3 LYS A 48 14.590 8.313 -9.927 1.00 63.44 H new ATOM 779 N ASP A 49 8.948 8.382 -4.299 1.00 75.31 N ATOM 780 CA ASP A 49 8.417 7.976 -2.985 1.00 63.42 C ATOM 781 C ASP A 49 7.328 6.902 -3.133 1.00 30.42 C ATOM 782 O ASP A 49 6.149 7.208 -3.334 1.00 3.30 O ATOM 783 CB ASP A 49 7.892 9.203 -2.170 1.00 14.54 C ATOM 784 CG ASP A 49 8.987 10.000 -1.439 1.00 62.15 C ATOM 785 OD1 ASP A 49 10.117 9.494 -1.256 1.00 14.44 O ATOM 786 OD2 ASP A 49 8.700 11.121 -0.986 1.00 2.42 O ATOM 0 H ASP A 49 8.662 9.317 -4.589 1.00 75.31 H new ATOM 0 HA ASP A 49 9.243 7.540 -2.422 1.00 63.42 H new ATOM 0 HB2 ASP A 49 7.363 9.874 -2.847 1.00 14.54 H new ATOM 0 HB3 ASP A 49 7.165 8.852 -1.437 1.00 14.54 H new ATOM 791 N ALA A 50 7.779 5.642 -3.027 1.00 4.51 N ATOM 792 CA ALA A 50 6.942 4.434 -3.082 1.00 41.32 C ATOM 793 C ALA A 50 5.886 4.394 -1.979 1.00 71.40 C ATOM 794 O ALA A 50 4.854 3.756 -2.146 1.00 73.43 O ATOM 795 CB ALA A 50 7.833 3.199 -2.977 1.00 5.12 C ATOM 0 H ALA A 50 8.768 5.430 -2.896 1.00 4.51 H new ATOM 0 HA ALA A 50 6.412 4.450 -4.034 1.00 41.32 H new ATOM 0 HB1 ALA A 50 7.216 2.301 -3.017 1.00 5.12 H new ATOM 0 HB2 ALA A 50 8.542 3.190 -3.805 1.00 5.12 H new ATOM 0 HB3 ALA A 50 8.378 3.223 -2.033 1.00 5.12 H new ATOM 801 N LYS A 51 6.169 5.061 -0.851 1.00 33.21 N ATOM 802 CA LYS A 51 5.247 5.123 0.299 1.00 60.33 C ATOM 803 C LYS A 51 4.031 6.033 0.008 1.00 42.13 C ATOM 804 O LYS A 51 2.980 5.876 0.635 1.00 61.35 O ATOM 805 CB LYS A 51 5.980 5.569 1.599 1.00 70.45 C ATOM 806 CG LYS A 51 6.581 7.000 1.611 1.00 5.42 C ATOM 807 CD LYS A 51 7.988 7.125 0.960 1.00 71.22 C ATOM 808 CE LYS A 51 9.074 6.311 1.689 1.00 71.15 C ATOM 809 NZ LYS A 51 10.444 6.582 1.157 1.00 60.42 N ATOM 0 H LYS A 51 7.040 5.572 -0.707 1.00 33.21 H new ATOM 0 HA LYS A 51 4.872 4.112 0.461 1.00 60.33 H new ATOM 0 HB2 LYS A 51 5.278 5.489 2.429 1.00 70.45 H new ATOM 0 HB3 LYS A 51 6.786 4.861 1.794 1.00 70.45 H new ATOM 0 HG2 LYS A 51 5.896 7.670 1.092 1.00 5.42 H new ATOM 0 HG3 LYS A 51 6.643 7.344 2.644 1.00 5.42 H new ATOM 0 HD2 LYS A 51 7.931 6.794 -0.077 1.00 71.22 H new ATOM 0 HD3 LYS A 51 8.281 8.175 0.944 1.00 71.22 H new ATOM 0 HE2 LYS A 51 9.047 6.546 2.753 1.00 71.15 H new ATOM 0 HE3 LYS A 51 8.854 5.248 1.592 1.00 71.15 H new ATOM 0 HZ1 LYS A 51 11.139 6.011 1.680 1.00 60.42 H new ATOM 0 HZ2 LYS A 51 10.480 6.333 0.148 1.00 60.42 H new ATOM 0 HZ3 LYS A 51 10.668 7.591 1.273 1.00 60.42 H new ATOM 823 N LEU A 52 4.187 6.969 -0.949 1.00 24.53 N ATOM 824 CA LEU A 52 3.081 7.830 -1.448 1.00 4.31 C ATOM 825 C LEU A 52 2.150 6.998 -2.355 1.00 14.44 C ATOM 826 O LEU A 52 0.924 7.184 -2.349 1.00 52.20 O ATOM 827 CB LEU A 52 3.659 9.068 -2.213 1.00 42.01 C ATOM 828 CG LEU A 52 4.090 10.313 -1.349 1.00 35.15 C ATOM 829 CD1 LEU A 52 2.878 11.165 -0.915 1.00 35.31 C ATOM 830 CD2 LEU A 52 4.925 9.910 -0.113 1.00 64.02 C ATOM 0 H LEU A 52 5.082 7.154 -1.402 1.00 24.53 H new ATOM 0 HA LEU A 52 2.501 8.203 -0.604 1.00 4.31 H new ATOM 0 HB2 LEU A 52 4.526 8.737 -2.784 1.00 42.01 H new ATOM 0 HB3 LEU A 52 2.911 9.399 -2.933 1.00 42.01 H new ATOM 0 HG LEU A 52 4.721 10.921 -1.998 1.00 35.15 H new ATOM 0 HD11 LEU A 52 3.222 12.012 -0.322 1.00 35.31 H new ATOM 0 HD12 LEU A 52 2.355 11.530 -1.799 1.00 35.31 H new ATOM 0 HD13 LEU A 52 2.200 10.555 -0.318 1.00 35.31 H new ATOM 0 HD21 LEU A 52 5.197 10.803 0.449 1.00 64.02 H new ATOM 0 HD22 LEU A 52 4.338 9.246 0.522 1.00 64.02 H new ATOM 0 HD23 LEU A 52 5.830 9.396 -0.437 1.00 64.02 H new ATOM 842 N TYR A 53 2.769 6.085 -3.125 1.00 15.02 N ATOM 843 CA TYR A 53 2.057 5.109 -3.975 1.00 1.34 C ATOM 844 C TYR A 53 1.366 4.025 -3.116 1.00 34.41 C ATOM 845 O TYR A 53 0.220 3.643 -3.383 1.00 51.23 O ATOM 846 CB TYR A 53 3.045 4.451 -4.975 1.00 72.11 C ATOM 847 CG TYR A 53 3.623 5.426 -6.014 1.00 34.42 C ATOM 848 CD1 TYR A 53 2.859 5.847 -7.101 1.00 13.32 C ATOM 849 CD2 TYR A 53 4.923 5.924 -5.912 1.00 53.23 C ATOM 850 CE1 TYR A 53 3.369 6.717 -8.045 1.00 13.14 C ATOM 851 CE2 TYR A 53 5.438 6.799 -6.854 1.00 54.52 C ATOM 852 CZ TYR A 53 4.658 7.192 -7.918 1.00 72.24 C ATOM 853 OH TYR A 53 5.169 8.063 -8.868 1.00 10.53 O ATOM 0 H TYR A 53 3.784 6.002 -3.176 1.00 15.02 H new ATOM 0 HA TYR A 53 1.287 5.641 -4.533 1.00 1.34 H new ATOM 0 HB2 TYR A 53 3.866 4.002 -4.417 1.00 72.11 H new ATOM 0 HB3 TYR A 53 2.534 3.642 -5.496 1.00 72.11 H new ATOM 0 HD1 TYR A 53 1.847 5.485 -7.207 1.00 13.32 H new ATOM 0 HD2 TYR A 53 5.541 5.620 -5.080 1.00 53.23 H new ATOM 0 HE1 TYR A 53 2.759 7.025 -8.882 1.00 13.14 H new ATOM 0 HE2 TYR A 53 6.447 7.171 -6.754 1.00 54.52 H new ATOM 0 HH TYR A 53 6.135 8.162 -8.735 1.00 10.53 H new ATOM 863 N SER A 54 2.081 3.567 -2.069 1.00 33.22 N ATOM 864 CA SER A 54 1.616 2.521 -1.131 1.00 3.12 C ATOM 865 C SER A 54 0.474 3.043 -0.253 1.00 2.55 C ATOM 866 O SER A 54 -0.371 2.258 0.203 1.00 41.35 O ATOM 867 CB SER A 54 2.786 2.048 -0.238 1.00 72.22 C ATOM 868 OG SER A 54 2.360 1.096 0.728 1.00 22.31 O ATOM 0 H SER A 54 3.013 3.918 -1.846 1.00 33.22 H new ATOM 0 HA SER A 54 1.247 1.680 -1.717 1.00 3.12 H new ATOM 0 HB2 SER A 54 3.565 1.610 -0.862 1.00 72.22 H new ATOM 0 HB3 SER A 54 3.228 2.907 0.268 1.00 72.22 H new ATOM 0 HG SER A 54 3.125 0.818 1.273 1.00 22.31 H new ATOM 874 N ASN A 55 0.490 4.367 -0.008 1.00 42.22 N ATOM 875 CA ASN A 55 -0.593 5.082 0.679 1.00 74.54 C ATOM 876 C ASN A 55 -1.909 4.897 -0.096 1.00 52.45 C ATOM 877 O ASN A 55 -2.960 4.591 0.486 1.00 22.24 O ATOM 878 CB ASN A 55 -0.255 6.589 0.767 1.00 15.23 C ATOM 879 CG ASN A 55 -1.303 7.390 1.544 1.00 41.31 C ATOM 880 OD1 ASN A 55 -2.347 7.760 1.004 1.00 4.30 O ATOM 881 ND2 ASN A 55 -1.029 7.676 2.801 1.00 34.12 N ATOM 0 H ASN A 55 1.263 4.972 -0.285 1.00 42.22 H new ATOM 0 HA ASN A 55 -0.704 4.678 1.685 1.00 74.54 H new ATOM 0 HB2 ASN A 55 0.717 6.711 1.246 1.00 15.23 H new ATOM 0 HB3 ASN A 55 -0.167 6.996 -0.240 1.00 15.23 H new ATOM 0 HD21 ASN A 55 -1.690 8.219 3.356 1.00 34.12 H new ATOM 0 HD22 ASN A 55 -0.156 7.355 3.218 1.00 34.12 H new ATOM 888 N ARG A 56 -1.820 5.071 -1.431 1.00 61.43 N ATOM 889 CA ARG A 56 -2.983 4.980 -2.321 1.00 25.12 C ATOM 890 C ARG A 56 -3.418 3.529 -2.489 1.00 73.44 C ATOM 891 O ARG A 56 -4.610 3.256 -2.520 1.00 55.41 O ATOM 892 CB ARG A 56 -2.704 5.636 -3.701 1.00 42.35 C ATOM 893 CG ARG A 56 -2.216 7.102 -3.639 1.00 44.55 C ATOM 894 CD ARG A 56 -2.939 7.938 -2.573 1.00 64.23 C ATOM 895 NE ARG A 56 -4.412 7.911 -2.703 1.00 32.31 N ATOM 896 CZ ARG A 56 -5.293 7.962 -1.678 1.00 62.54 C ATOM 897 NH1 ARG A 56 -4.872 8.074 -0.427 1.00 4.14 N ATOM 898 NH2 ARG A 56 -6.604 7.930 -1.916 1.00 25.32 N ATOM 0 H ARG A 56 -0.945 5.277 -1.914 1.00 61.43 H new ATOM 0 HA ARG A 56 -3.798 5.535 -1.856 1.00 25.12 H new ATOM 0 HB2 ARG A 56 -1.956 5.041 -4.225 1.00 42.35 H new ATOM 0 HB3 ARG A 56 -3.616 5.597 -4.296 1.00 42.35 H new ATOM 0 HG2 ARG A 56 -1.145 7.113 -3.435 1.00 44.55 H new ATOM 0 HG3 ARG A 56 -2.359 7.567 -4.614 1.00 44.55 H new ATOM 0 HD2 ARG A 56 -2.662 7.571 -1.585 1.00 64.23 H new ATOM 0 HD3 ARG A 56 -2.595 8.970 -2.637 1.00 64.23 H new ATOM 0 HE ARG A 56 -4.796 7.849 -3.646 1.00 32.31 H new ATOM 0 HH11 ARG A 56 -3.873 8.123 -0.228 1.00 4.14 H new ATOM 0 HH12 ARG A 56 -5.547 8.111 0.337 1.00 4.14 H new ATOM 0 HH21 ARG A 56 -6.947 7.867 -2.875 1.00 25.32 H new ATOM 0 HH22 ARG A 56 -7.264 7.969 -1.140 1.00 25.32 H new ATOM 912 N ALA A 57 -2.436 2.618 -2.571 1.00 44.02 N ATOM 913 CA ALA A 57 -2.676 1.164 -2.651 1.00 23.41 C ATOM 914 C ALA A 57 -3.432 0.656 -1.404 1.00 44.14 C ATOM 915 O ALA A 57 -4.267 -0.255 -1.494 1.00 31.30 O ATOM 916 CB ALA A 57 -1.341 0.427 -2.828 1.00 32.44 C ATOM 0 H ALA A 57 -1.447 2.868 -2.584 1.00 44.02 H new ATOM 0 HA ALA A 57 -3.306 0.960 -3.517 1.00 23.41 H new ATOM 0 HB1 ALA A 57 -1.523 -0.646 -2.887 1.00 32.44 H new ATOM 0 HB2 ALA A 57 -0.858 0.764 -3.745 1.00 32.44 H new ATOM 0 HB3 ALA A 57 -0.693 0.639 -1.978 1.00 32.44 H new ATOM 922 N ALA A 58 -3.138 1.283 -0.249 1.00 42.51 N ATOM 923 CA ALA A 58 -3.852 1.023 1.011 1.00 41.41 C ATOM 924 C ALA A 58 -5.308 1.507 0.926 1.00 74.54 C ATOM 925 O ALA A 58 -6.218 0.828 1.391 1.00 32.23 O ATOM 926 CB ALA A 58 -3.123 1.697 2.185 1.00 61.20 C ATOM 0 H ALA A 58 -2.400 1.982 -0.165 1.00 42.51 H new ATOM 0 HA ALA A 58 -3.866 -0.053 1.182 1.00 41.41 H new ATOM 0 HB1 ALA A 58 -3.662 1.497 3.111 1.00 61.20 H new ATOM 0 HB2 ALA A 58 -2.111 1.300 2.261 1.00 61.20 H new ATOM 0 HB3 ALA A 58 -3.079 2.773 2.016 1.00 61.20 H new ATOM 932 N CYS A 59 -5.513 2.683 0.314 1.00 61.13 N ATOM 933 CA CYS A 59 -6.845 3.304 0.184 1.00 11.15 C ATOM 934 C CYS A 59 -7.703 2.605 -0.900 1.00 65.32 C ATOM 935 O CYS A 59 -8.935 2.532 -0.776 1.00 72.14 O ATOM 936 CB CYS A 59 -6.672 4.799 -0.140 1.00 13.34 C ATOM 937 SG CYS A 59 -5.665 5.678 1.075 1.00 10.11 S ATOM 0 H CYS A 59 -4.762 3.232 -0.105 1.00 61.13 H new ATOM 0 HA CYS A 59 -7.376 3.190 1.129 1.00 11.15 H new ATOM 0 HB2 CYS A 59 -6.214 4.900 -1.124 1.00 13.34 H new ATOM 0 HB3 CYS A 59 -7.654 5.268 -0.196 1.00 13.34 H new ATOM 0 HG CYS A 59 -6.426 6.450 1.792 1.00 10.11 H new ATOM 943 N TYR A 60 -7.033 2.048 -1.936 1.00 15.01 N ATOM 944 CA TYR A 60 -7.699 1.421 -3.104 1.00 12.02 C ATOM 945 C TYR A 60 -8.511 0.179 -2.712 1.00 41.13 C ATOM 946 O TYR A 60 -9.411 -0.221 -3.445 1.00 41.21 O ATOM 947 CB TYR A 60 -6.669 1.074 -4.220 1.00 22.03 C ATOM 948 CG TYR A 60 -6.159 2.280 -5.029 1.00 45.33 C ATOM 949 CD1 TYR A 60 -6.988 3.375 -5.298 1.00 0.44 C ATOM 950 CD2 TYR A 60 -4.858 2.314 -5.542 1.00 70.51 C ATOM 951 CE1 TYR A 60 -6.539 4.450 -6.035 1.00 61.12 C ATOM 952 CE2 TYR A 60 -4.407 3.395 -6.280 1.00 5.33 C ATOM 953 CZ TYR A 60 -5.256 4.458 -6.523 1.00 44.24 C ATOM 954 OH TYR A 60 -4.819 5.546 -7.251 1.00 15.34 O ATOM 0 H TYR A 60 -6.015 2.020 -1.986 1.00 15.01 H new ATOM 0 HA TYR A 60 -8.400 2.157 -3.498 1.00 12.02 H new ATOM 0 HB2 TYR A 60 -5.815 0.574 -3.763 1.00 22.03 H new ATOM 0 HB3 TYR A 60 -7.126 0.361 -4.907 1.00 22.03 H new ATOM 0 HD1 TYR A 60 -8.000 3.378 -4.921 1.00 0.44 H new ATOM 0 HD2 TYR A 60 -4.194 1.482 -5.359 1.00 70.51 H new ATOM 0 HE1 TYR A 60 -7.196 5.285 -6.228 1.00 61.12 H new ATOM 0 HE2 TYR A 60 -3.398 3.407 -6.664 1.00 5.33 H new ATOM 0 HH TYR A 60 -3.889 5.403 -7.526 1.00 15.34 H new ATOM 964 N THR A 61 -8.200 -0.403 -1.550 1.00 62.03 N ATOM 965 CA THR A 61 -9.000 -1.478 -0.965 1.00 71.12 C ATOM 966 C THR A 61 -10.426 -0.956 -0.654 1.00 24.33 C ATOM 967 O THR A 61 -11.433 -1.555 -1.080 1.00 24.30 O ATOM 968 CB THR A 61 -8.324 -2.043 0.327 1.00 12.02 C ATOM 969 OG1 THR A 61 -8.226 -1.013 1.321 1.00 34.04 O ATOM 970 CG2 THR A 61 -6.914 -2.603 0.039 1.00 71.34 C ATOM 0 H THR A 61 -7.388 -0.141 -0.991 1.00 62.03 H new ATOM 0 HA THR A 61 -9.068 -2.294 -1.685 1.00 71.12 H new ATOM 0 HB THR A 61 -8.949 -2.858 0.691 1.00 12.02 H new ATOM 0 HG1 THR A 61 -7.436 -0.460 1.143 1.00 34.04 H new ATOM 0 HG21 THR A 61 -6.479 -2.986 0.962 1.00 71.34 H new ATOM 0 HG22 THR A 61 -6.985 -3.410 -0.690 1.00 71.34 H new ATOM 0 HG23 THR A 61 -6.281 -1.809 -0.358 1.00 71.34 H new ATOM 978 N LYS A 62 -10.481 0.243 -0.022 1.00 31.42 N ATOM 979 CA LYS A 62 -11.743 0.895 0.395 1.00 64.30 C ATOM 980 C LYS A 62 -12.565 1.307 -0.828 1.00 25.34 C ATOM 981 O LYS A 62 -13.798 1.286 -0.803 1.00 52.13 O ATOM 982 CB LYS A 62 -11.447 2.153 1.268 1.00 31.45 C ATOM 983 CG LYS A 62 -10.644 1.873 2.556 1.00 51.11 C ATOM 984 CD LYS A 62 -11.349 0.889 3.518 1.00 62.12 C ATOM 985 CE LYS A 62 -12.736 1.373 3.967 1.00 64.12 C ATOM 986 NZ LYS A 62 -13.377 0.416 4.910 1.00 65.11 N ATOM 0 H LYS A 62 -9.649 0.784 0.212 1.00 31.42 H new ATOM 0 HA LYS A 62 -12.314 0.177 0.984 1.00 64.30 H new ATOM 0 HB2 LYS A 62 -10.898 2.876 0.664 1.00 31.45 H new ATOM 0 HB3 LYS A 62 -12.394 2.619 1.541 1.00 31.45 H new ATOM 0 HG2 LYS A 62 -9.668 1.469 2.286 1.00 51.11 H new ATOM 0 HG3 LYS A 62 -10.467 2.814 3.077 1.00 51.11 H new ATOM 0 HD2 LYS A 62 -11.450 -0.079 3.028 1.00 62.12 H new ATOM 0 HD3 LYS A 62 -10.722 0.737 4.397 1.00 62.12 H new ATOM 0 HE2 LYS A 62 -12.643 2.348 4.446 1.00 64.12 H new ATOM 0 HE3 LYS A 62 -13.375 1.506 3.094 1.00 64.12 H new ATOM 0 HZ1 LYS A 62 -14.311 0.778 5.190 1.00 65.11 H new ATOM 0 HZ2 LYS A 62 -13.489 -0.508 4.445 1.00 65.11 H new ATOM 0 HZ3 LYS A 62 -12.780 0.308 5.755 1.00 65.11 H new ATOM 1000 N LEU A 63 -11.847 1.675 -1.895 1.00 54.35 N ATOM 1001 CA LEU A 63 -12.435 2.149 -3.152 1.00 4.53 C ATOM 1002 C LEU A 63 -12.785 0.976 -4.088 1.00 11.23 C ATOM 1003 O LEU A 63 -13.307 1.210 -5.185 1.00 73.14 O ATOM 1004 CB LEU A 63 -11.438 3.133 -3.831 1.00 55.22 C ATOM 1005 CG LEU A 63 -10.975 4.341 -2.946 1.00 64.02 C ATOM 1006 CD1 LEU A 63 -9.987 5.249 -3.708 1.00 13.31 C ATOM 1007 CD2 LEU A 63 -12.181 5.147 -2.399 1.00 13.52 C ATOM 0 H LEU A 63 -10.827 1.651 -1.909 1.00 54.35 H new ATOM 0 HA LEU A 63 -13.369 2.668 -2.938 1.00 4.53 H new ATOM 0 HB2 LEU A 63 -10.556 2.573 -4.141 1.00 55.22 H new ATOM 0 HB3 LEU A 63 -11.901 3.525 -4.737 1.00 55.22 H new ATOM 0 HG LEU A 63 -10.447 3.929 -2.086 1.00 64.02 H new ATOM 0 HD11 LEU A 63 -9.685 6.077 -3.067 1.00 13.31 H new ATOM 0 HD12 LEU A 63 -9.108 4.671 -3.993 1.00 13.31 H new ATOM 0 HD13 LEU A 63 -10.469 5.641 -4.603 1.00 13.31 H new ATOM 0 HD21 LEU A 63 -11.819 5.976 -1.791 1.00 13.52 H new ATOM 0 HD22 LEU A 63 -12.766 5.537 -3.232 1.00 13.52 H new ATOM 0 HD23 LEU A 63 -12.807 4.496 -1.789 1.00 13.52 H new ATOM 1019 N LEU A 64 -12.492 -0.288 -3.641 1.00 32.24 N ATOM 1020 CA LEU A 64 -12.717 -1.524 -4.444 1.00 62.21 C ATOM 1021 C LEU A 64 -11.819 -1.554 -5.711 1.00 74.31 C ATOM 1022 O LEU A 64 -12.016 -2.377 -6.608 1.00 54.00 O ATOM 1023 CB LEU A 64 -14.234 -1.736 -4.806 1.00 30.21 C ATOM 1024 CG LEU A 64 -15.213 -2.141 -3.638 1.00 14.55 C ATOM 1025 CD1 LEU A 64 -14.753 -3.436 -2.927 1.00 53.02 C ATOM 1026 CD2 LEU A 64 -15.438 -0.989 -2.625 1.00 72.01 C ATOM 0 H LEU A 64 -12.096 -0.471 -2.719 1.00 32.24 H new ATOM 0 HA LEU A 64 -12.425 -2.364 -3.813 1.00 62.21 H new ATOM 0 HB2 LEU A 64 -14.605 -0.813 -5.251 1.00 30.21 H new ATOM 0 HB3 LEU A 64 -14.292 -2.506 -5.575 1.00 30.21 H new ATOM 0 HG LEU A 64 -16.178 -2.344 -4.103 1.00 14.55 H new ATOM 0 HD11 LEU A 64 -15.454 -3.681 -2.129 1.00 53.02 H new ATOM 0 HD12 LEU A 64 -14.721 -4.254 -3.646 1.00 53.02 H new ATOM 0 HD13 LEU A 64 -13.760 -3.286 -2.504 1.00 53.02 H new ATOM 0 HD21 LEU A 64 -16.120 -1.321 -1.842 1.00 72.01 H new ATOM 0 HD22 LEU A 64 -14.485 -0.705 -2.180 1.00 72.01 H new ATOM 0 HD23 LEU A 64 -15.868 -0.130 -3.140 1.00 72.01 H new ATOM 1038 N GLU A 65 -10.795 -0.679 -5.726 1.00 54.12 N ATOM 1039 CA GLU A 65 -9.791 -0.570 -6.797 1.00 32.42 C ATOM 1040 C GLU A 65 -8.550 -1.417 -6.449 1.00 44.43 C ATOM 1041 O GLU A 65 -7.412 -0.988 -6.681 1.00 33.53 O ATOM 1042 CB GLU A 65 -9.417 0.946 -7.026 1.00 14.42 C ATOM 1043 CG GLU A 65 -9.991 1.565 -8.317 1.00 43.02 C ATOM 1044 CD GLU A 65 -11.527 1.639 -8.355 1.00 4.43 C ATOM 1045 OE1 GLU A 65 -12.100 2.656 -7.897 1.00 22.32 O ATOM 1046 OE2 GLU A 65 -12.165 0.701 -8.881 1.00 13.12 O ATOM 0 H GLU A 65 -10.641 -0.011 -4.971 1.00 54.12 H new ATOM 0 HA GLU A 65 -10.205 -0.958 -7.727 1.00 32.42 H new ATOM 0 HB2 GLU A 65 -9.770 1.526 -6.173 1.00 14.42 H new ATOM 0 HB3 GLU A 65 -8.331 1.039 -7.047 1.00 14.42 H new ATOM 0 HG2 GLU A 65 -9.587 2.571 -8.434 1.00 43.02 H new ATOM 0 HG3 GLU A 65 -9.646 0.981 -9.170 1.00 43.02 H new ATOM 1053 N PHE A 66 -8.795 -2.649 -5.939 1.00 2.22 N ATOM 1054 CA PHE A 66 -7.731 -3.608 -5.563 1.00 45.54 C ATOM 1055 C PHE A 66 -6.803 -3.909 -6.763 1.00 33.42 C ATOM 1056 O PHE A 66 -5.620 -4.189 -6.571 1.00 54.41 O ATOM 1057 CB PHE A 66 -8.324 -4.946 -5.049 1.00 4.21 C ATOM 1058 CG PHE A 66 -9.152 -4.887 -3.762 1.00 44.44 C ATOM 1059 CD1 PHE A 66 -10.505 -4.560 -3.792 1.00 2.52 C ATOM 1060 CD2 PHE A 66 -8.587 -5.216 -2.530 1.00 11.51 C ATOM 1061 CE1 PHE A 66 -11.257 -4.553 -2.633 1.00 34.51 C ATOM 1062 CE2 PHE A 66 -9.344 -5.217 -1.373 1.00 13.12 C ATOM 1063 CZ PHE A 66 -10.678 -4.886 -1.428 1.00 11.33 C ATOM 0 H PHE A 66 -9.737 -3.004 -5.777 1.00 2.22 H new ATOM 0 HA PHE A 66 -7.158 -3.139 -4.763 1.00 45.54 H new ATOM 0 HB2 PHE A 66 -8.951 -5.364 -5.837 1.00 4.21 H new ATOM 0 HB3 PHE A 66 -7.501 -5.644 -4.892 1.00 4.21 H new ATOM 0 HD1 PHE A 66 -10.972 -4.309 -4.733 1.00 2.52 H new ATOM 0 HD2 PHE A 66 -7.540 -5.475 -2.479 1.00 11.51 H new ATOM 0 HE1 PHE A 66 -12.303 -4.285 -2.672 1.00 34.51 H new ATOM 0 HE2 PHE A 66 -8.889 -5.477 -0.429 1.00 13.12 H new ATOM 0 HZ PHE A 66 -11.272 -4.887 -0.526 1.00 11.33 H new ATOM 1073 N GLN A 67 -7.363 -3.837 -7.993 1.00 42.00 N ATOM 1074 CA GLN A 67 -6.600 -3.974 -9.248 1.00 43.41 C ATOM 1075 C GLN A 67 -5.463 -2.949 -9.313 1.00 53.42 C ATOM 1076 O GLN A 67 -4.352 -3.280 -9.739 1.00 12.24 O ATOM 1077 CB GLN A 67 -7.521 -3.785 -10.481 1.00 53.54 C ATOM 1078 CG GLN A 67 -8.579 -4.879 -10.676 1.00 12.34 C ATOM 1079 CD GLN A 67 -7.970 -6.269 -10.895 1.00 31.14 C ATOM 1080 OE1 GLN A 67 -7.703 -6.973 -9.820 1.00 1.04 O flip ATOM 1081 NE2 GLN A 67 -7.721 -6.690 -12.023 1.00 32.01 N flip ATOM 0 H GLN A 67 -8.360 -3.682 -8.139 1.00 42.00 H new ATOM 0 HA GLN A 67 -6.180 -4.980 -9.263 1.00 43.41 H new ATOM 0 HB2 GLN A 67 -8.027 -2.823 -10.393 1.00 53.54 H new ATOM 0 HB3 GLN A 67 -6.900 -3.738 -11.375 1.00 53.54 H new ATOM 0 HG2 GLN A 67 -9.230 -4.907 -9.802 1.00 12.34 H new ATOM 0 HG3 GLN A 67 -9.205 -4.624 -11.531 1.00 12.34 H new ATOM 0 HE21 GLN A 67 -7.940 -6.120 -12.840 1.00 32.01 H new ATOM 0 HE22 GLN A 67 -7.296 -7.609 -12.142 1.00 32.01 H new ATOM 1090 N LEU A 68 -5.760 -1.705 -8.873 1.00 72.53 N ATOM 1091 CA LEU A 68 -4.775 -0.614 -8.847 1.00 75.15 C ATOM 1092 C LEU A 68 -3.827 -0.797 -7.656 1.00 55.14 C ATOM 1093 O LEU A 68 -2.650 -0.499 -7.761 1.00 13.34 O ATOM 1094 CB LEU A 68 -5.461 0.783 -8.822 1.00 33.24 C ATOM 1095 CG LEU A 68 -6.482 1.085 -9.974 1.00 31.01 C ATOM 1096 CD1 LEU A 68 -6.859 2.584 -10.005 1.00 24.22 C ATOM 1097 CD2 LEU A 68 -5.967 0.605 -11.350 1.00 75.41 C ATOM 0 H LEU A 68 -6.682 -1.437 -8.530 1.00 72.53 H new ATOM 0 HA LEU A 68 -4.191 -0.657 -9.766 1.00 75.15 H new ATOM 0 HB2 LEU A 68 -5.980 0.890 -7.870 1.00 33.24 H new ATOM 0 HB3 LEU A 68 -4.682 1.545 -8.848 1.00 33.24 H new ATOM 0 HG LEU A 68 -7.386 0.515 -9.759 1.00 31.01 H new ATOM 0 HD11 LEU A 68 -7.568 2.764 -10.813 1.00 24.22 H new ATOM 0 HD12 LEU A 68 -7.313 2.865 -9.055 1.00 24.22 H new ATOM 0 HD13 LEU A 68 -5.962 3.181 -10.169 1.00 24.22 H new ATOM 0 HD21 LEU A 68 -6.707 0.835 -12.116 1.00 75.41 H new ATOM 0 HD22 LEU A 68 -5.031 1.112 -11.585 1.00 75.41 H new ATOM 0 HD23 LEU A 68 -5.799 -0.472 -11.320 1.00 75.41 H new ATOM 1109 N ALA A 69 -4.351 -1.341 -6.541 1.00 70.25 N ATOM 1110 CA ALA A 69 -3.531 -1.689 -5.354 1.00 62.35 C ATOM 1111 C ALA A 69 -2.479 -2.776 -5.688 1.00 52.21 C ATOM 1112 O ALA A 69 -1.426 -2.853 -5.048 1.00 52.41 O ATOM 1113 CB ALA A 69 -4.430 -2.145 -4.194 1.00 42.22 C ATOM 0 H ALA A 69 -5.343 -1.552 -6.433 1.00 70.25 H new ATOM 0 HA ALA A 69 -2.993 -0.792 -5.048 1.00 62.35 H new ATOM 0 HB1 ALA A 69 -3.812 -2.396 -3.332 1.00 42.22 H new ATOM 0 HB2 ALA A 69 -5.116 -1.341 -3.927 1.00 42.22 H new ATOM 0 HB3 ALA A 69 -5.001 -3.022 -4.499 1.00 42.22 H new ATOM 1119 N LEU A 70 -2.805 -3.617 -6.687 1.00 34.34 N ATOM 1120 CA LEU A 70 -1.880 -4.623 -7.240 1.00 52.33 C ATOM 1121 C LEU A 70 -0.866 -3.965 -8.207 1.00 65.54 C ATOM 1122 O LEU A 70 0.346 -3.970 -7.949 1.00 3.32 O ATOM 1123 CB LEU A 70 -2.690 -5.739 -7.971 1.00 63.21 C ATOM 1124 CG LEU A 70 -3.641 -6.590 -7.070 1.00 32.12 C ATOM 1125 CD1 LEU A 70 -4.587 -7.478 -7.910 1.00 44.43 C ATOM 1126 CD2 LEU A 70 -2.849 -7.434 -6.050 1.00 22.31 C ATOM 0 H LEU A 70 -3.721 -3.618 -7.135 1.00 34.34 H new ATOM 0 HA LEU A 70 -1.319 -5.071 -6.420 1.00 52.33 H new ATOM 0 HB2 LEU A 70 -3.285 -5.274 -8.757 1.00 63.21 H new ATOM 0 HB3 LEU A 70 -1.986 -6.412 -8.460 1.00 63.21 H new ATOM 0 HG LEU A 70 -4.261 -5.889 -6.512 1.00 32.12 H new ATOM 0 HD11 LEU A 70 -5.231 -8.053 -7.245 1.00 44.43 H new ATOM 0 HD12 LEU A 70 -5.200 -6.848 -8.555 1.00 44.43 H new ATOM 0 HD13 LEU A 70 -3.997 -8.159 -8.523 1.00 44.43 H new ATOM 0 HD21 LEU A 70 -3.543 -8.013 -5.440 1.00 22.31 H new ATOM 0 HD22 LEU A 70 -2.179 -8.111 -6.580 1.00 22.31 H new ATOM 0 HD23 LEU A 70 -2.265 -6.775 -5.408 1.00 22.31 H new ATOM 1138 N LYS A 71 -1.380 -3.374 -9.302 1.00 51.34 N ATOM 1139 CA LYS A 71 -0.537 -2.927 -10.437 1.00 24.51 C ATOM 1140 C LYS A 71 0.337 -1.700 -10.105 1.00 41.51 C ATOM 1141 O LYS A 71 1.490 -1.624 -10.553 1.00 54.22 O ATOM 1142 CB LYS A 71 -1.376 -2.665 -11.712 1.00 43.33 C ATOM 1143 CG LYS A 71 -2.408 -1.525 -11.613 1.00 2.51 C ATOM 1144 CD LYS A 71 -3.162 -1.231 -12.939 1.00 74.44 C ATOM 1145 CE LYS A 71 -4.068 -2.382 -13.429 1.00 53.10 C ATOM 1146 NZ LYS A 71 -3.310 -3.532 -14.012 1.00 33.12 N ATOM 0 H LYS A 71 -2.376 -3.193 -9.429 1.00 51.34 H new ATOM 0 HA LYS A 71 0.143 -3.756 -10.634 1.00 24.51 H new ATOM 0 HB2 LYS A 71 -0.695 -2.443 -12.533 1.00 43.33 H new ATOM 0 HB3 LYS A 71 -1.901 -3.584 -11.974 1.00 43.33 H new ATOM 0 HG2 LYS A 71 -3.136 -1.776 -10.842 1.00 2.51 H new ATOM 0 HG3 LYS A 71 -1.900 -0.617 -11.288 1.00 2.51 H new ATOM 0 HD2 LYS A 71 -3.772 -0.337 -12.805 1.00 74.44 H new ATOM 0 HD3 LYS A 71 -2.431 -1.005 -13.715 1.00 74.44 H new ATOM 0 HE2 LYS A 71 -4.670 -2.740 -12.594 1.00 53.10 H new ATOM 0 HE3 LYS A 71 -4.759 -1.996 -14.178 1.00 53.10 H new ATOM 0 HZ1 LYS A 71 -3.736 -3.803 -14.921 1.00 33.12 H new ATOM 0 HZ2 LYS A 71 -2.319 -3.254 -14.162 1.00 33.12 H new ATOM 0 HZ3 LYS A 71 -3.348 -4.340 -13.358 1.00 33.12 H new ATOM 1160 N ASP A 72 -0.205 -0.756 -9.319 1.00 5.51 N ATOM 1161 CA ASP A 72 0.553 0.429 -8.851 1.00 63.31 C ATOM 1162 C ASP A 72 1.712 -0.017 -7.944 1.00 0.45 C ATOM 1163 O ASP A 72 2.807 0.538 -8.003 1.00 60.24 O ATOM 1164 CB ASP A 72 -0.387 1.423 -8.118 1.00 61.12 C ATOM 1165 CG ASP A 72 0.325 2.679 -7.595 1.00 43.12 C ATOM 1166 OD1 ASP A 72 0.725 3.531 -8.421 1.00 74.12 O ATOM 1167 OD2 ASP A 72 0.485 2.820 -6.367 1.00 1.55 O ATOM 0 H ASP A 72 -1.170 -0.786 -8.990 1.00 5.51 H new ATOM 0 HA ASP A 72 0.973 0.948 -9.713 1.00 63.31 H new ATOM 0 HB2 ASP A 72 -1.183 1.725 -8.799 1.00 61.12 H new ATOM 0 HB3 ASP A 72 -0.861 0.910 -7.281 1.00 61.12 H new ATOM 1172 N CYS A 73 1.460 -1.069 -7.150 1.00 11.32 N ATOM 1173 CA CYS A 73 2.463 -1.655 -6.252 1.00 13.14 C ATOM 1174 C CYS A 73 3.509 -2.493 -7.033 1.00 64.24 C ATOM 1175 O CYS A 73 4.693 -2.505 -6.663 1.00 40.31 O ATOM 1176 CB CYS A 73 1.764 -2.513 -5.176 1.00 63.42 C ATOM 1177 SG CYS A 73 2.875 -3.291 -3.982 1.00 54.13 S ATOM 0 H CYS A 73 0.554 -1.536 -7.114 1.00 11.32 H new ATOM 0 HA CYS A 73 3.001 -0.842 -5.765 1.00 13.14 H new ATOM 0 HB2 CYS A 73 1.056 -1.885 -4.635 1.00 63.42 H new ATOM 0 HB3 CYS A 73 1.185 -3.292 -5.673 1.00 63.42 H new ATOM 0 HG CYS A 73 3.695 -2.400 -3.508 1.00 54.13 H new ATOM 1183 N GLU A 74 3.081 -3.177 -8.130 1.00 1.21 N ATOM 1184 CA GLU A 74 3.985 -4.078 -8.901 1.00 45.24 C ATOM 1185 C GLU A 74 4.979 -3.293 -9.775 1.00 10.45 C ATOM 1186 O GLU A 74 6.042 -3.814 -10.107 1.00 70.54 O ATOM 1187 CB GLU A 74 3.198 -5.100 -9.774 1.00 32.33 C ATOM 1188 CG GLU A 74 2.652 -4.571 -11.118 1.00 52.15 C ATOM 1189 CD GLU A 74 1.912 -5.640 -11.934 1.00 32.02 C ATOM 1190 OE1 GLU A 74 0.690 -5.817 -11.735 1.00 52.54 O ATOM 1191 OE2 GLU A 74 2.553 -6.318 -12.765 1.00 31.02 O ATOM 0 H GLU A 74 2.131 -3.124 -8.496 1.00 1.21 H new ATOM 0 HA GLU A 74 4.552 -4.636 -8.156 1.00 45.24 H new ATOM 0 HB2 GLU A 74 3.850 -5.949 -9.980 1.00 32.33 H new ATOM 0 HB3 GLU A 74 2.360 -5.477 -9.188 1.00 32.33 H new ATOM 0 HG2 GLU A 74 1.976 -3.738 -10.925 1.00 52.15 H new ATOM 0 HG3 GLU A 74 3.479 -4.180 -11.710 1.00 52.15 H new ATOM 1198 N GLU A 75 4.611 -2.068 -10.179 1.00 4.10 N ATOM 1199 CA GLU A 75 5.512 -1.179 -10.951 1.00 70.14 C ATOM 1200 C GLU A 75 6.413 -0.372 -9.997 1.00 5.21 C ATOM 1201 O GLU A 75 7.578 -0.087 -10.312 1.00 12.34 O ATOM 1202 CB GLU A 75 4.689 -0.245 -11.874 1.00 0.34 C ATOM 1203 CG GLU A 75 3.711 0.695 -11.143 1.00 34.12 C ATOM 1204 CD GLU A 75 2.886 1.576 -12.090 1.00 44.22 C ATOM 1205 OE1 GLU A 75 3.412 2.618 -12.541 1.00 35.22 O ATOM 1206 OE2 GLU A 75 1.721 1.233 -12.392 1.00 44.41 O ATOM 0 H GLU A 75 3.695 -1.664 -9.987 1.00 4.10 H new ATOM 0 HA GLU A 75 6.155 -1.791 -11.583 1.00 70.14 H new ATOM 0 HB2 GLU A 75 5.379 0.359 -12.463 1.00 0.34 H new ATOM 0 HB3 GLU A 75 4.124 -0.858 -12.576 1.00 0.34 H new ATOM 0 HG2 GLU A 75 3.034 0.098 -10.532 1.00 34.12 H new ATOM 0 HG3 GLU A 75 4.274 1.334 -10.463 1.00 34.12 H new ATOM 1213 N CYS A 76 5.861 -0.080 -8.802 1.00 71.23 N ATOM 1214 CA CYS A 76 6.515 0.722 -7.748 1.00 21.20 C ATOM 1215 C CYS A 76 7.856 0.108 -7.278 1.00 12.52 C ATOM 1216 O CYS A 76 8.727 0.827 -6.750 1.00 70.14 O ATOM 1217 CB CYS A 76 5.546 0.867 -6.570 1.00 23.14 C ATOM 1218 SG CYS A 76 6.119 1.944 -5.265 1.00 34.24 S ATOM 0 H CYS A 76 4.930 -0.401 -8.537 1.00 71.23 H new ATOM 0 HA CYS A 76 6.757 1.700 -8.164 1.00 21.20 H new ATOM 0 HB2 CYS A 76 4.594 1.245 -6.944 1.00 23.14 H new ATOM 0 HB3 CYS A 76 5.354 -0.121 -6.150 1.00 23.14 H new ATOM 0 HG CYS A 76 7.396 2.149 -5.401 1.00 34.24 H new ATOM 1224 N ILE A 77 7.997 -1.228 -7.481 1.00 64.53 N ATOM 1225 CA ILE A 77 9.228 -1.986 -7.180 1.00 30.44 C ATOM 1226 C ILE A 77 10.466 -1.365 -7.876 1.00 71.14 C ATOM 1227 O ILE A 77 11.563 -1.359 -7.307 1.00 64.12 O ATOM 1228 CB ILE A 77 9.115 -3.509 -7.603 1.00 44.21 C ATOM 1229 CG1 ILE A 77 10.346 -4.324 -7.074 1.00 64.12 C ATOM 1230 CG2 ILE A 77 8.970 -3.662 -9.137 1.00 3.23 C ATOM 1231 CD1 ILE A 77 10.449 -5.763 -7.541 1.00 11.15 C ATOM 0 H ILE A 77 7.250 -1.809 -7.862 1.00 64.53 H new ATOM 0 HA ILE A 77 9.353 -1.931 -6.099 1.00 30.44 H new ATOM 0 HB ILE A 77 8.212 -3.914 -7.146 1.00 44.21 H new ATOM 0 HG12 ILE A 77 11.255 -3.802 -7.371 1.00 64.12 H new ATOM 0 HG13 ILE A 77 10.317 -4.319 -5.984 1.00 64.12 H new ATOM 0 HG21 ILE A 77 8.895 -4.719 -9.392 1.00 3.23 H new ATOM 0 HG22 ILE A 77 8.071 -3.144 -9.471 1.00 3.23 H new ATOM 0 HG23 ILE A 77 9.842 -3.231 -9.630 1.00 3.23 H new ATOM 0 HD11 ILE A 77 11.339 -6.222 -7.110 1.00 11.15 H new ATOM 0 HD12 ILE A 77 9.565 -6.314 -7.220 1.00 11.15 H new ATOM 0 HD13 ILE A 77 10.518 -5.789 -8.629 1.00 11.15 H new ATOM 1243 N GLN A 78 10.263 -0.816 -9.097 1.00 24.11 N ATOM 1244 CA GLN A 78 11.360 -0.289 -9.935 1.00 64.42 C ATOM 1245 C GLN A 78 12.033 0.930 -9.275 1.00 20.21 C ATOM 1246 O GLN A 78 13.229 1.175 -9.461 1.00 22.31 O ATOM 1247 CB GLN A 78 10.825 0.070 -11.347 1.00 74.21 C ATOM 1248 CG GLN A 78 10.253 -1.137 -12.131 1.00 22.41 C ATOM 1249 CD GLN A 78 11.290 -2.229 -12.448 1.00 13.32 C ATOM 1250 OE1 GLN A 78 12.473 -1.951 -12.658 1.00 10.54 O ATOM 1251 NE2 GLN A 78 10.857 -3.481 -12.479 1.00 22.25 N ATOM 0 H GLN A 78 9.341 -0.727 -9.524 1.00 24.11 H new ATOM 0 HA GLN A 78 12.118 -1.065 -10.035 1.00 64.42 H new ATOM 0 HB2 GLN A 78 10.047 0.827 -11.248 1.00 74.21 H new ATOM 0 HB3 GLN A 78 11.632 0.517 -11.927 1.00 74.21 H new ATOM 0 HG2 GLN A 78 9.441 -1.579 -11.554 1.00 22.41 H new ATOM 0 HG3 GLN A 78 9.822 -0.778 -13.066 1.00 22.41 H new ATOM 0 HE21 GLN A 78 9.873 -3.685 -12.302 1.00 22.25 H new ATOM 0 HE22 GLN A 78 11.507 -4.241 -12.680 1.00 22.25 H new ATOM 1260 N LEU A 79 11.237 1.666 -8.495 1.00 13.35 N ATOM 1261 CA LEU A 79 11.692 2.821 -7.711 1.00 25.42 C ATOM 1262 C LEU A 79 12.243 2.336 -6.365 1.00 11.32 C ATOM 1263 O LEU A 79 13.323 2.742 -5.927 1.00 75.14 O ATOM 1264 CB LEU A 79 10.499 3.793 -7.489 1.00 1.23 C ATOM 1265 CG LEU A 79 9.735 4.212 -8.784 1.00 22.21 C ATOM 1266 CD1 LEU A 79 8.501 5.072 -8.456 1.00 23.11 C ATOM 1267 CD2 LEU A 79 10.678 4.918 -9.788 1.00 41.52 C ATOM 0 H LEU A 79 10.241 1.474 -8.388 1.00 13.35 H new ATOM 0 HA LEU A 79 12.482 3.347 -8.247 1.00 25.42 H new ATOM 0 HB2 LEU A 79 9.792 3.325 -6.804 1.00 1.23 H new ATOM 0 HB3 LEU A 79 10.870 4.693 -6.998 1.00 1.23 H new ATOM 0 HG LEU A 79 9.373 3.303 -9.264 1.00 22.21 H new ATOM 0 HD11 LEU A 79 7.992 5.346 -9.380 1.00 23.11 H new ATOM 0 HD12 LEU A 79 7.820 4.504 -7.822 1.00 23.11 H new ATOM 0 HD13 LEU A 79 8.816 5.975 -7.933 1.00 23.11 H new ATOM 0 HD21 LEU A 79 10.117 5.198 -10.680 1.00 41.52 H new ATOM 0 HD22 LEU A 79 11.096 5.813 -9.327 1.00 41.52 H new ATOM 0 HD23 LEU A 79 11.486 4.241 -10.066 1.00 41.52 H new ATOM 1279 N GLU A 80 11.480 1.434 -5.739 1.00 63.33 N ATOM 1280 CA GLU A 80 11.740 0.961 -4.379 1.00 61.40 C ATOM 1281 C GLU A 80 11.269 -0.493 -4.254 1.00 10.41 C ATOM 1282 O GLU A 80 10.070 -0.736 -4.269 1.00 53.25 O ATOM 1283 CB GLU A 80 11.004 1.874 -3.365 1.00 43.40 C ATOM 1284 CG GLU A 80 11.100 1.452 -1.888 1.00 60.22 C ATOM 1285 CD GLU A 80 12.533 1.478 -1.352 1.00 21.21 C ATOM 1286 OE1 GLU A 80 12.996 2.561 -0.931 1.00 70.43 O ATOM 1287 OE2 GLU A 80 13.198 0.425 -1.356 1.00 32.14 O ATOM 0 H GLU A 80 10.658 1.009 -6.168 1.00 63.33 H new ATOM 0 HA GLU A 80 12.808 1.001 -4.163 1.00 61.40 H new ATOM 0 HB2 GLU A 80 11.401 2.885 -3.461 1.00 43.40 H new ATOM 0 HB3 GLU A 80 9.951 1.918 -3.643 1.00 43.40 H new ATOM 0 HG2 GLU A 80 10.480 2.115 -1.285 1.00 60.22 H new ATOM 0 HG3 GLU A 80 10.694 0.447 -1.776 1.00 60.22 H new ATOM 1294 N PRO A 81 12.198 -1.497 -4.228 1.00 51.52 N ATOM 1295 CA PRO A 81 11.819 -2.922 -4.057 1.00 51.43 C ATOM 1296 C PRO A 81 11.346 -3.290 -2.629 1.00 53.11 C ATOM 1297 O PRO A 81 10.530 -4.196 -2.464 1.00 44.25 O ATOM 1298 CB PRO A 81 13.119 -3.673 -4.424 1.00 40.53 C ATOM 1299 CG PRO A 81 14.220 -2.711 -4.101 1.00 43.21 C ATOM 1300 CD PRO A 81 13.672 -1.342 -4.434 1.00 50.33 C ATOM 0 HA PRO A 81 10.959 -3.179 -4.676 1.00 51.43 H new ATOM 0 HB2 PRO A 81 13.218 -4.595 -3.851 1.00 40.53 H new ATOM 0 HB3 PRO A 81 13.132 -3.950 -5.478 1.00 40.53 H new ATOM 0 HG2 PRO A 81 14.502 -2.776 -3.050 1.00 43.21 H new ATOM 0 HG3 PRO A 81 15.115 -2.928 -4.685 1.00 43.21 H new ATOM 0 HD2 PRO A 81 14.090 -0.573 -3.784 1.00 50.33 H new ATOM 0 HD3 PRO A 81 13.906 -1.054 -5.459 1.00 50.33 H new ATOM 1308 N THR A 82 11.858 -2.584 -1.607 1.00 53.15 N ATOM 1309 CA THR A 82 11.715 -3.012 -0.199 1.00 35.25 C ATOM 1310 C THR A 82 10.656 -2.202 0.575 1.00 3.44 C ATOM 1311 O THR A 82 10.681 -2.210 1.804 1.00 54.05 O ATOM 1312 CB THR A 82 13.110 -2.962 0.535 1.00 52.51 C ATOM 1313 OG1 THR A 82 13.645 -1.634 0.522 1.00 55.14 O ATOM 1314 CG2 THR A 82 14.136 -3.923 -0.106 1.00 70.14 C ATOM 0 H THR A 82 12.376 -1.713 -1.726 1.00 53.15 H new ATOM 0 HA THR A 82 11.357 -4.041 -0.217 1.00 35.25 H new ATOM 0 HB THR A 82 12.933 -3.278 1.563 1.00 52.51 H new ATOM 0 HG1 THR A 82 13.188 -1.104 -0.164 1.00 55.14 H new ATOM 0 HG21 THR A 82 15.082 -3.856 0.431 1.00 70.14 H new ATOM 0 HG22 THR A 82 13.760 -4.945 -0.053 1.00 70.14 H new ATOM 0 HG23 THR A 82 14.291 -3.647 -1.149 1.00 70.14 H new ATOM 1322 N PHE A 83 9.729 -1.497 -0.125 1.00 53.43 N ATOM 1323 CA PHE A 83 8.617 -0.785 0.557 1.00 74.40 C ATOM 1324 C PHE A 83 7.625 -1.831 1.134 1.00 71.13 C ATOM 1325 O PHE A 83 6.791 -2.409 0.431 1.00 2.01 O ATOM 1326 CB PHE A 83 7.925 0.268 -0.371 1.00 65.04 C ATOM 1327 CG PHE A 83 7.077 -0.292 -1.519 1.00 23.14 C ATOM 1328 CD1 PHE A 83 7.658 -0.989 -2.570 1.00 55.23 C ATOM 1329 CD2 PHE A 83 5.698 -0.107 -1.539 1.00 50.33 C ATOM 1330 CE1 PHE A 83 6.891 -1.484 -3.613 1.00 70.01 C ATOM 1331 CE2 PHE A 83 4.928 -0.601 -2.581 1.00 12.31 C ATOM 1332 CZ PHE A 83 5.529 -1.288 -3.615 1.00 31.22 C ATOM 0 H PHE A 83 9.728 -1.407 -1.141 1.00 53.43 H new ATOM 0 HA PHE A 83 9.022 -0.202 1.384 1.00 74.40 H new ATOM 0 HB2 PHE A 83 7.289 0.903 0.246 1.00 65.04 H new ATOM 0 HB3 PHE A 83 8.697 0.909 -0.797 1.00 65.04 H new ATOM 0 HD1 PHE A 83 8.726 -1.148 -2.575 1.00 55.23 H new ATOM 0 HD2 PHE A 83 5.221 0.429 -0.732 1.00 50.33 H new ATOM 0 HE1 PHE A 83 7.361 -2.022 -4.422 1.00 70.01 H new ATOM 0 HE2 PHE A 83 3.859 -0.448 -2.583 1.00 12.31 H new ATOM 0 HZ PHE A 83 4.930 -1.673 -4.427 1.00 31.22 H new ATOM 1342 N ILE A 84 7.735 -2.046 2.439 1.00 4.45 N ATOM 1343 CA ILE A 84 7.233 -3.257 3.119 1.00 54.15 C ATOM 1344 C ILE A 84 5.708 -3.233 3.279 1.00 44.21 C ATOM 1345 O ILE A 84 5.012 -4.231 3.034 1.00 23.02 O ATOM 1346 CB ILE A 84 7.883 -3.403 4.542 1.00 12.13 C ATOM 1347 CG1 ILE A 84 9.417 -3.141 4.502 1.00 14.22 C ATOM 1348 CG2 ILE A 84 7.589 -4.796 5.115 1.00 23.01 C ATOM 1349 CD1 ILE A 84 10.084 -3.134 5.859 1.00 42.23 C ATOM 0 H ILE A 84 8.180 -1.382 3.073 1.00 4.45 H new ATOM 0 HA ILE A 84 7.508 -4.105 2.492 1.00 54.15 H new ATOM 0 HB ILE A 84 7.440 -2.649 5.193 1.00 12.13 H new ATOM 0 HG12 ILE A 84 9.888 -3.905 3.883 1.00 14.22 H new ATOM 0 HG13 ILE A 84 9.597 -2.182 4.017 1.00 14.22 H new ATOM 0 HG21 ILE A 84 8.044 -4.887 6.101 1.00 23.01 H new ATOM 0 HG22 ILE A 84 6.511 -4.935 5.198 1.00 23.01 H new ATOM 0 HG23 ILE A 84 8.003 -5.557 4.453 1.00 23.01 H new ATOM 0 HD11 ILE A 84 11.151 -2.945 5.739 1.00 42.23 H new ATOM 0 HD12 ILE A 84 9.644 -2.351 6.477 1.00 42.23 H new ATOM 0 HD13 ILE A 84 9.939 -4.101 6.341 1.00 42.23 H new ATOM 1361 N LYS A 85 5.203 -2.062 3.677 1.00 42.24 N ATOM 1362 CA LYS A 85 3.783 -1.858 3.987 1.00 45.50 C ATOM 1363 C LYS A 85 2.963 -1.704 2.692 1.00 5.42 C ATOM 1364 O LYS A 85 1.759 -1.533 2.759 1.00 35.15 O ATOM 1365 CB LYS A 85 3.595 -0.641 4.954 1.00 14.23 C ATOM 1366 CG LYS A 85 4.001 -0.919 6.434 1.00 22.22 C ATOM 1367 CD LYS A 85 5.517 -1.190 6.630 1.00 42.32 C ATOM 1368 CE LYS A 85 5.861 -1.728 8.028 1.00 5.11 C ATOM 1369 NZ LYS A 85 5.509 -0.779 9.113 1.00 63.54 N ATOM 0 H LYS A 85 5.771 -1.223 3.794 1.00 42.24 H new ATOM 0 HA LYS A 85 3.407 -2.740 4.506 1.00 45.50 H new ATOM 0 HB2 LYS A 85 4.184 0.197 4.581 1.00 14.23 H new ATOM 0 HB3 LYS A 85 2.550 -0.332 4.930 1.00 14.23 H new ATOM 0 HG2 LYS A 85 3.713 -0.065 7.046 1.00 22.22 H new ATOM 0 HG3 LYS A 85 3.438 -1.778 6.800 1.00 22.22 H new ATOM 0 HD2 LYS A 85 5.851 -1.907 5.880 1.00 42.32 H new ATOM 0 HD3 LYS A 85 6.070 -0.267 6.457 1.00 42.32 H new ATOM 0 HE2 LYS A 85 5.335 -2.669 8.190 1.00 5.11 H new ATOM 0 HE3 LYS A 85 6.928 -1.947 8.075 1.00 5.11 H new ATOM 0 HZ1 LYS A 85 6.163 -0.906 9.911 1.00 63.54 H new ATOM 0 HZ2 LYS A 85 5.581 0.196 8.758 1.00 63.54 H new ATOM 0 HZ3 LYS A 85 4.536 -0.961 9.431 1.00 63.54 H new ATOM 1383 N GLY A 86 3.645 -1.765 1.522 1.00 71.22 N ATOM 1384 CA GLY A 86 2.981 -1.926 0.227 1.00 32.52 C ATOM 1385 C GLY A 86 2.672 -3.380 -0.072 1.00 72.43 C ATOM 1386 O GLY A 86 1.672 -3.687 -0.724 1.00 30.24 O ATOM 0 H GLY A 86 4.661 -1.704 1.461 1.00 71.22 H new ATOM 0 HA2 GLY A 86 2.056 -1.349 0.219 1.00 32.52 H new ATOM 0 HA3 GLY A 86 3.617 -1.520 -0.560 1.00 32.52 H new ATOM 1390 N TYR A 87 3.547 -4.276 0.426 1.00 42.45 N ATOM 1391 CA TYR A 87 3.353 -5.740 0.340 1.00 53.43 C ATOM 1392 C TYR A 87 2.261 -6.226 1.315 1.00 14.23 C ATOM 1393 O TYR A 87 1.622 -7.256 1.072 1.00 12.52 O ATOM 1394 CB TYR A 87 4.691 -6.484 0.586 1.00 63.45 C ATOM 1395 CG TYR A 87 5.694 -6.285 -0.559 1.00 42.12 C ATOM 1396 CD1 TYR A 87 5.637 -7.077 -1.710 1.00 14.21 C ATOM 1397 CD2 TYR A 87 6.660 -5.282 -0.513 1.00 65.14 C ATOM 1398 CE1 TYR A 87 6.510 -6.877 -2.760 1.00 71.12 C ATOM 1399 CE2 TYR A 87 7.529 -5.072 -1.567 1.00 42.44 C ATOM 1400 CZ TYR A 87 7.450 -5.872 -2.688 1.00 74.42 C ATOM 1401 OH TYR A 87 8.310 -5.664 -3.749 1.00 43.15 O ATOM 0 H TYR A 87 4.409 -4.006 0.900 1.00 42.45 H new ATOM 0 HA TYR A 87 3.013 -5.972 -0.669 1.00 53.43 H new ATOM 0 HB2 TYR A 87 5.133 -6.131 1.518 1.00 63.45 H new ATOM 0 HB3 TYR A 87 4.493 -7.549 0.711 1.00 63.45 H new ATOM 0 HD1 TYR A 87 4.896 -7.860 -1.779 1.00 14.21 H new ATOM 0 HD2 TYR A 87 6.731 -4.656 0.364 1.00 65.14 H new ATOM 0 HE1 TYR A 87 6.457 -7.507 -3.636 1.00 71.12 H new ATOM 0 HE2 TYR A 87 8.267 -4.285 -1.513 1.00 42.44 H new ATOM 0 HH TYR A 87 9.100 -5.174 -3.439 1.00 43.15 H new ATOM 1411 N THR A 88 2.046 -5.470 2.404 1.00 13.15 N ATOM 1412 CA THR A 88 0.931 -5.708 3.334 1.00 3.54 C ATOM 1413 C THR A 88 -0.428 -5.505 2.600 1.00 15.14 C ATOM 1414 O THR A 88 -1.379 -6.279 2.798 1.00 1.42 O ATOM 1415 CB THR A 88 1.037 -4.747 4.570 1.00 21.50 C ATOM 1416 OG1 THR A 88 2.362 -4.817 5.127 1.00 2.11 O ATOM 1417 CG2 THR A 88 0.010 -5.085 5.667 1.00 21.32 C ATOM 0 H THR A 88 2.637 -4.680 2.663 1.00 13.15 H new ATOM 0 HA THR A 88 0.984 -6.736 3.693 1.00 3.54 H new ATOM 0 HB THR A 88 0.824 -3.739 4.213 1.00 21.50 H new ATOM 0 HG1 THR A 88 2.425 -4.215 5.897 1.00 2.11 H new ATOM 0 HG21 THR A 88 0.125 -4.391 6.500 1.00 21.32 H new ATOM 0 HG22 THR A 88 -0.998 -5.000 5.261 1.00 21.32 H new ATOM 0 HG23 THR A 88 0.175 -6.104 6.018 1.00 21.32 H new ATOM 1425 N ARG A 89 -0.473 -4.486 1.702 1.00 63.21 N ATOM 1426 CA ARG A 89 -1.702 -4.109 0.954 1.00 73.12 C ATOM 1427 C ARG A 89 -1.870 -5.013 -0.283 1.00 20.04 C ATOM 1428 O ARG A 89 -2.999 -5.289 -0.699 1.00 44.33 O ATOM 1429 CB ARG A 89 -1.671 -2.604 0.519 1.00 41.03 C ATOM 1430 CG ARG A 89 -1.051 -1.640 1.553 1.00 54.12 C ATOM 1431 CD ARG A 89 -1.652 -1.739 2.977 1.00 63.42 C ATOM 1432 NE ARG A 89 -0.764 -1.115 3.981 1.00 3.24 N ATOM 1433 CZ ARG A 89 -0.842 -1.302 5.311 1.00 53.04 C ATOM 1434 NH1 ARG A 89 -1.785 -2.081 5.837 1.00 12.03 N ATOM 1435 NH2 ARG A 89 0.050 -0.730 6.105 1.00 63.54 N ATOM 0 H ARG A 89 0.336 -3.906 1.477 1.00 63.21 H new ATOM 0 HA ARG A 89 -2.553 -4.248 1.621 1.00 73.12 H new ATOM 0 HB2 ARG A 89 -1.112 -2.522 -0.413 1.00 41.03 H new ATOM 0 HB3 ARG A 89 -2.691 -2.281 0.309 1.00 41.03 H new ATOM 0 HG2 ARG A 89 0.020 -1.833 1.612 1.00 54.12 H new ATOM 0 HG3 ARG A 89 -1.171 -0.618 1.194 1.00 54.12 H new ATOM 0 HD2 ARG A 89 -2.626 -1.251 2.997 1.00 63.42 H new ATOM 0 HD3 ARG A 89 -1.815 -2.786 3.233 1.00 63.42 H new ATOM 0 HE ARG A 89 -0.033 -0.492 3.637 1.00 3.24 H new ATOM 0 HH11 ARG A 89 -2.460 -2.545 5.230 1.00 12.03 H new ATOM 0 HH12 ARG A 89 -1.832 -2.214 6.847 1.00 12.03 H new ATOM 0 HH21 ARG A 89 0.790 -0.152 5.707 1.00 63.54 H new ATOM 0 HH22 ARG A 89 -0.003 -0.868 7.114 1.00 63.54 H new ATOM 1449 N LYS A 90 -0.720 -5.437 -0.865 1.00 51.42 N ATOM 1450 CA LYS A 90 -0.660 -6.427 -1.952 1.00 61.31 C ATOM 1451 C LYS A 90 -1.365 -7.720 -1.525 1.00 72.41 C ATOM 1452 O LYS A 90 -2.252 -8.221 -2.215 1.00 22.15 O ATOM 1453 CB LYS A 90 0.823 -6.757 -2.297 1.00 33.33 C ATOM 1454 CG LYS A 90 0.999 -7.791 -3.443 1.00 4.00 C ATOM 1455 CD LYS A 90 0.827 -7.165 -4.843 1.00 74.22 C ATOM 1456 CE LYS A 90 2.052 -6.328 -5.247 1.00 73.13 C ATOM 1457 NZ LYS A 90 1.946 -5.804 -6.628 1.00 0.21 N ATOM 0 H LYS A 90 0.198 -5.093 -0.584 1.00 51.42 H new ATOM 0 HA LYS A 90 -1.156 -6.007 -2.827 1.00 61.31 H new ATOM 0 HB2 LYS A 90 1.333 -5.834 -2.575 1.00 33.33 H new ATOM 0 HB3 LYS A 90 1.316 -7.137 -1.402 1.00 33.33 H new ATOM 0 HG2 LYS A 90 1.989 -8.242 -3.371 1.00 4.00 H new ATOM 0 HG3 LYS A 90 0.273 -8.594 -3.317 1.00 4.00 H new ATOM 0 HD2 LYS A 90 0.668 -7.955 -5.577 1.00 74.22 H new ATOM 0 HD3 LYS A 90 -0.063 -6.536 -4.853 1.00 74.22 H new ATOM 0 HE2 LYS A 90 2.165 -5.495 -4.553 1.00 73.13 H new ATOM 0 HE3 LYS A 90 2.951 -6.939 -5.161 1.00 73.13 H new ATOM 0 HZ1 LYS A 90 2.823 -5.304 -6.878 1.00 0.21 H new ATOM 0 HZ2 LYS A 90 1.797 -6.593 -7.288 1.00 0.21 H new ATOM 0 HZ3 LYS A 90 1.143 -5.146 -6.689 1.00 0.21 H new ATOM 1471 N ALA A 91 -0.945 -8.225 -0.357 1.00 74.20 N ATOM 1472 CA ALA A 91 -1.431 -9.481 0.211 1.00 33.13 C ATOM 1473 C ALA A 91 -2.903 -9.370 0.651 1.00 10.43 C ATOM 1474 O ALA A 91 -3.664 -10.331 0.519 1.00 72.44 O ATOM 1475 CB ALA A 91 -0.519 -9.883 1.367 1.00 41.52 C ATOM 0 H ALA A 91 -0.247 -7.762 0.225 1.00 74.20 H new ATOM 0 HA ALA A 91 -1.401 -10.259 -0.552 1.00 33.13 H new ATOM 0 HB1 ALA A 91 -0.871 -10.819 1.800 1.00 41.52 H new ATOM 0 HB2 ALA A 91 0.499 -10.013 0.999 1.00 41.52 H new ATOM 0 HB3 ALA A 91 -0.532 -9.104 2.129 1.00 41.52 H new ATOM 1481 N ALA A 92 -3.297 -8.179 1.148 1.00 3.01 N ATOM 1482 CA ALA A 92 -4.706 -7.878 1.479 1.00 42.53 C ATOM 1483 C ALA A 92 -5.587 -7.937 0.216 1.00 44.55 C ATOM 1484 O ALA A 92 -6.689 -8.492 0.238 1.00 53.53 O ATOM 1485 CB ALA A 92 -4.817 -6.504 2.157 1.00 23.01 C ATOM 0 H ALA A 92 -2.656 -7.407 1.330 1.00 3.01 H new ATOM 0 HA ALA A 92 -5.064 -8.635 2.177 1.00 42.53 H new ATOM 0 HB1 ALA A 92 -5.861 -6.298 2.394 1.00 23.01 H new ATOM 0 HB2 ALA A 92 -4.230 -6.503 3.075 1.00 23.01 H new ATOM 0 HB3 ALA A 92 -4.439 -5.734 1.484 1.00 23.01 H new ATOM 1491 N ALA A 93 -5.062 -7.388 -0.891 1.00 42.42 N ATOM 1492 CA ALA A 93 -5.742 -7.405 -2.194 1.00 35.10 C ATOM 1493 C ALA A 93 -5.906 -8.848 -2.705 1.00 21.34 C ATOM 1494 O ALA A 93 -7.015 -9.256 -3.069 1.00 61.53 O ATOM 1495 CB ALA A 93 -4.982 -6.535 -3.202 1.00 62.31 C ATOM 0 H ALA A 93 -4.155 -6.921 -0.907 1.00 42.42 H new ATOM 0 HA ALA A 93 -6.741 -6.985 -2.073 1.00 35.10 H new ATOM 0 HB1 ALA A 93 -5.497 -6.557 -4.162 1.00 62.31 H new ATOM 0 HB2 ALA A 93 -4.938 -5.509 -2.837 1.00 62.31 H new ATOM 0 HB3 ALA A 93 -3.970 -6.920 -3.324 1.00 62.31 H new ATOM 1501 N LEU A 94 -4.797 -9.623 -2.652 1.00 0.00 N ATOM 1502 CA LEU A 94 -4.761 -11.045 -3.052 1.00 24.33 C ATOM 1503 C LEU A 94 -5.787 -11.874 -2.263 1.00 70.41 C ATOM 1504 O LEU A 94 -6.488 -12.706 -2.839 1.00 62.10 O ATOM 1505 CB LEU A 94 -3.338 -11.630 -2.850 1.00 54.22 C ATOM 1506 CG LEU A 94 -2.244 -11.097 -3.820 1.00 1.13 C ATOM 1507 CD1 LEU A 94 -0.849 -11.648 -3.457 1.00 74.03 C ATOM 1508 CD2 LEU A 94 -2.603 -11.415 -5.284 1.00 52.22 C ATOM 0 H LEU A 94 -3.896 -9.273 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.021 -11.098 -4.109 1.00 24.33 H new ATOM 0 HB2 LEU A 94 -3.022 -11.423 -1.827 1.00 54.22 H new ATOM 0 HB3 LEU A 94 -3.393 -12.714 -2.954 1.00 54.22 H new ATOM 0 HG LEU A 94 -2.206 -10.013 -3.710 1.00 1.13 H new ATOM 0 HD11 LEU A 94 -0.110 -11.255 -4.155 1.00 74.03 H new ATOM 0 HD12 LEU A 94 -0.590 -11.342 -2.443 1.00 74.03 H new ATOM 0 HD13 LEU A 94 -0.861 -12.736 -3.516 1.00 74.03 H new ATOM 0 HD21 LEU A 94 -1.823 -11.032 -5.941 1.00 52.22 H new ATOM 0 HD22 LEU A 94 -2.688 -12.494 -5.412 1.00 52.22 H new ATOM 0 HD23 LEU A 94 -3.553 -10.944 -5.536 1.00 52.22 H new ATOM 1520 N GLU A 95 -5.888 -11.593 -0.954 1.00 64.24 N ATOM 1521 CA GLU A 95 -6.882 -12.219 -0.062 1.00 12.54 C ATOM 1522 C GLU A 95 -8.326 -11.983 -0.582 1.00 24.41 C ATOM 1523 O GLU A 95 -9.177 -12.890 -0.532 1.00 73.21 O ATOM 1524 CB GLU A 95 -6.729 -11.641 1.362 1.00 32.22 C ATOM 1525 CG GLU A 95 -7.697 -12.241 2.399 1.00 25.05 C ATOM 1526 CD GLU A 95 -7.769 -11.423 3.685 1.00 31.30 C ATOM 1527 OE1 GLU A 95 -8.500 -10.399 3.696 1.00 24.23 O ATOM 1528 OE2 GLU A 95 -7.101 -11.776 4.675 1.00 60.33 O ATOM 0 H GLU A 95 -5.281 -10.923 -0.481 1.00 64.24 H new ATOM 0 HA GLU A 95 -6.704 -13.294 -0.042 1.00 12.54 H new ATOM 0 HB2 GLU A 95 -5.706 -11.806 1.700 1.00 32.22 H new ATOM 0 HB3 GLU A 95 -6.882 -10.562 1.322 1.00 32.22 H new ATOM 0 HG2 GLU A 95 -8.693 -12.310 1.962 1.00 25.05 H new ATOM 0 HG3 GLU A 95 -7.382 -13.257 2.637 1.00 25.05 H new ATOM 1535 N ALA A 96 -8.568 -10.780 -1.154 1.00 43.22 N ATOM 1536 CA ALA A 96 -9.883 -10.401 -1.697 1.00 20.33 C ATOM 1537 C ALA A 96 -10.097 -11.046 -3.086 1.00 12.54 C ATOM 1538 O ALA A 96 -11.226 -11.117 -3.574 1.00 52.44 O ATOM 1539 CB ALA A 96 -10.004 -8.869 -1.770 1.00 4.33 C ATOM 0 H ALA A 96 -7.859 -10.053 -1.249 1.00 43.22 H new ATOM 0 HA ALA A 96 -10.663 -10.772 -1.032 1.00 20.33 H new ATOM 0 HB1 ALA A 96 -10.980 -8.600 -2.173 1.00 4.33 H new ATOM 0 HB2 ALA A 96 -9.895 -8.447 -0.771 1.00 4.33 H new ATOM 0 HB3 ALA A 96 -9.222 -8.473 -2.418 1.00 4.33 H new ATOM 1545 N MET A 97 -8.991 -11.532 -3.703 1.00 24.44 N ATOM 1546 CA MET A 97 -9.014 -12.225 -5.005 1.00 52.01 C ATOM 1547 C MET A 97 -8.963 -13.756 -4.787 1.00 24.42 C ATOM 1548 O MET A 97 -8.656 -14.509 -5.718 1.00 74.22 O ATOM 1549 CB MET A 97 -7.794 -11.772 -5.855 1.00 73.15 C ATOM 1550 CG MET A 97 -7.706 -10.269 -6.097 1.00 11.32 C ATOM 1551 SD MET A 97 -9.142 -9.626 -6.973 1.00 41.41 S ATOM 1552 CE MET A 97 -8.804 -7.872 -6.918 1.00 34.04 C ATOM 0 H MET A 97 -8.056 -11.451 -3.305 1.00 24.44 H new ATOM 0 HA MET A 97 -9.935 -11.973 -5.531 1.00 52.01 H new ATOM 0 HB2 MET A 97 -6.881 -12.100 -5.358 1.00 73.15 H new ATOM 0 HB3 MET A 97 -7.832 -12.279 -6.819 1.00 73.15 H new ATOM 0 HG2 MET A 97 -7.608 -9.755 -5.141 1.00 11.32 H new ATOM 0 HG3 MET A 97 -6.806 -10.049 -6.671 1.00 11.32 H new ATOM 0 HE1 MET A 97 -9.587 -7.334 -7.452 1.00 34.04 H new ATOM 0 HE2 MET A 97 -8.777 -7.539 -5.880 1.00 34.04 H new ATOM 0 HE3 MET A 97 -7.841 -7.672 -7.388 1.00 34.04 H new ATOM 1562 N LYS A 98 -9.237 -14.190 -3.526 1.00 1.52 N ATOM 1563 CA LYS A 98 -9.277 -15.615 -3.097 1.00 61.00 C ATOM 1564 C LYS A 98 -7.880 -16.272 -3.088 1.00 40.52 C ATOM 1565 O LYS A 98 -7.767 -17.478 -2.832 1.00 34.41 O ATOM 1566 CB LYS A 98 -10.275 -16.459 -3.970 1.00 23.41 C ATOM 1567 CG LYS A 98 -11.716 -15.892 -4.076 1.00 31.34 C ATOM 1568 CD LYS A 98 -12.429 -15.766 -2.714 1.00 12.22 C ATOM 1569 CE LYS A 98 -12.564 -17.114 -1.991 1.00 73.15 C ATOM 1570 NZ LYS A 98 -13.296 -16.981 -0.703 1.00 34.40 N ATOM 0 H LYS A 98 -9.441 -13.544 -2.763 1.00 1.52 H new ATOM 0 HA LYS A 98 -9.641 -15.608 -2.070 1.00 61.00 H new ATOM 0 HB2 LYS A 98 -9.864 -16.549 -4.976 1.00 23.41 H new ATOM 0 HB3 LYS A 98 -10.329 -17.466 -3.557 1.00 23.41 H new ATOM 0 HG2 LYS A 98 -11.678 -14.911 -4.549 1.00 31.34 H new ATOM 0 HG3 LYS A 98 -12.305 -16.538 -4.727 1.00 31.34 H new ATOM 0 HD2 LYS A 98 -11.875 -15.072 -2.081 1.00 12.22 H new ATOM 0 HD3 LYS A 98 -13.420 -15.338 -2.865 1.00 12.22 H new ATOM 0 HE2 LYS A 98 -13.088 -17.821 -2.635 1.00 73.15 H new ATOM 0 HE3 LYS A 98 -11.573 -17.527 -1.804 1.00 73.15 H new ATOM 0 HZ1 LYS A 98 -13.647 -17.914 -0.406 1.00 34.40 H new ATOM 0 HZ2 LYS A 98 -12.654 -16.605 0.024 1.00 34.40 H new ATOM 0 HZ3 LYS A 98 -14.099 -16.331 -0.825 1.00 34.40 H new ATOM 1584 N ASP A 99 -6.821 -15.473 -3.314 1.00 24.40 N ATOM 1585 CA ASP A 99 -5.428 -15.961 -3.401 1.00 31.41 C ATOM 1586 C ASP A 99 -4.793 -16.021 -2.002 1.00 32.41 C ATOM 1587 O ASP A 99 -3.684 -15.543 -1.825 1.00 43.04 O ATOM 1588 CB ASP A 99 -4.567 -15.022 -4.312 1.00 71.21 C ATOM 1589 CG ASP A 99 -5.027 -14.928 -5.765 1.00 31.04 C ATOM 1590 OD1 ASP A 99 -5.091 -15.965 -6.445 1.00 51.42 O ATOM 1591 OD2 ASP A 99 -5.307 -13.814 -6.245 1.00 31.42 O ATOM 0 H ASP A 99 -6.906 -14.465 -3.442 1.00 24.40 H new ATOM 0 HA ASP A 99 -5.451 -16.960 -3.835 1.00 31.41 H new ATOM 0 HB2 ASP A 99 -4.570 -14.021 -3.881 1.00 71.21 H new ATOM 0 HB3 ASP A 99 -3.535 -15.373 -4.296 1.00 71.21 H new ATOM 1596 N TYR A 100 -5.496 -16.619 -1.016 1.00 24.12 N ATOM 1597 CA TYR A 100 -4.979 -16.798 0.367 1.00 63.13 C ATOM 1598 C TYR A 100 -3.580 -17.454 0.368 1.00 50.45 C ATOM 1599 O TYR A 100 -2.683 -17.063 1.125 1.00 24.21 O ATOM 1600 CB TYR A 100 -5.958 -17.674 1.187 1.00 51.34 C ATOM 1601 CG TYR A 100 -7.417 -17.198 1.170 1.00 41.25 C ATOM 1602 CD1 TYR A 100 -7.745 -15.852 1.328 1.00 10.04 C ATOM 1603 CD2 TYR A 100 -8.472 -18.104 1.012 1.00 13.22 C ATOM 1604 CE1 TYR A 100 -9.062 -15.433 1.330 1.00 24.32 C ATOM 1605 CE2 TYR A 100 -9.785 -17.681 1.009 1.00 30.42 C ATOM 1606 CZ TYR A 100 -10.072 -16.348 1.171 1.00 63.32 C ATOM 1607 OH TYR A 100 -11.386 -15.932 1.188 1.00 32.01 O ATOM 0 H TYR A 100 -6.436 -16.992 -1.151 1.00 24.12 H new ATOM 0 HA TYR A 100 -4.895 -15.811 0.821 1.00 63.13 H new ATOM 0 HB2 TYR A 100 -5.919 -18.694 0.804 1.00 51.34 H new ATOM 0 HB3 TYR A 100 -5.614 -17.708 2.221 1.00 51.34 H new ATOM 0 HD1 TYR A 100 -6.956 -15.124 1.451 1.00 10.04 H new ATOM 0 HD2 TYR A 100 -8.254 -19.155 0.890 1.00 13.22 H new ATOM 0 HE1 TYR A 100 -9.296 -14.386 1.457 1.00 24.32 H new ATOM 0 HE2 TYR A 100 -10.584 -18.396 0.880 1.00 30.42 H new ATOM 0 HH TYR A 100 -11.443 -15.014 0.848 1.00 32.01 H new ATOM 1617 N THR A 101 -3.426 -18.419 -0.546 1.00 23.30 N ATOM 1618 CA THR A 101 -2.187 -19.151 -0.783 1.00 33.05 C ATOM 1619 C THR A 101 -1.043 -18.215 -1.247 1.00 42.12 C ATOM 1620 O THR A 101 0.110 -18.410 -0.862 1.00 72.13 O ATOM 1621 CB THR A 101 -2.437 -20.250 -1.861 1.00 53.10 C ATOM 1622 OG1 THR A 101 -3.041 -19.640 -3.019 1.00 63.51 O ATOM 1623 CG2 THR A 101 -3.347 -21.383 -1.340 1.00 43.02 C ATOM 0 H THR A 101 -4.186 -18.717 -1.157 1.00 23.30 H new ATOM 0 HA THR A 101 -1.879 -19.607 0.158 1.00 33.05 H new ATOM 0 HB THR A 101 -1.476 -20.696 -2.116 1.00 53.10 H new ATOM 0 HG1 THR A 101 -3.200 -20.323 -3.703 1.00 63.51 H new ATOM 0 HG21 THR A 101 -3.492 -22.124 -2.126 1.00 43.02 H new ATOM 0 HG22 THR A 101 -2.880 -21.857 -0.476 1.00 43.02 H new ATOM 0 HG23 THR A 101 -4.313 -20.969 -1.049 1.00 43.02 H new ATOM 1631 N LYS A 102 -1.376 -17.205 -2.082 1.00 24.50 N ATOM 1632 CA LYS A 102 -0.380 -16.261 -2.634 1.00 2.34 C ATOM 1633 C LYS A 102 -0.174 -15.067 -1.695 1.00 72.12 C ATOM 1634 O LYS A 102 0.909 -14.480 -1.657 1.00 42.24 O ATOM 1635 CB LYS A 102 -0.792 -15.784 -4.058 1.00 21.42 C ATOM 1636 CG LYS A 102 -0.873 -16.897 -5.141 1.00 25.44 C ATOM 1637 CD LYS A 102 0.462 -17.695 -5.329 1.00 50.01 C ATOM 1638 CE LYS A 102 0.523 -19.015 -4.521 1.00 74.11 C ATOM 1639 NZ LYS A 102 1.918 -19.513 -4.366 1.00 12.34 N ATOM 0 H LYS A 102 -2.332 -17.023 -2.389 1.00 24.50 H new ATOM 0 HA LYS A 102 0.570 -16.789 -2.718 1.00 2.34 H new ATOM 0 HB2 LYS A 102 -1.764 -15.295 -3.991 1.00 21.42 H new ATOM 0 HB3 LYS A 102 -0.078 -15.030 -4.390 1.00 21.42 H new ATOM 0 HG2 LYS A 102 -1.667 -17.594 -4.874 1.00 25.44 H new ATOM 0 HG3 LYS A 102 -1.152 -16.445 -6.093 1.00 25.44 H new ATOM 0 HD2 LYS A 102 0.592 -17.922 -6.387 1.00 50.01 H new ATOM 0 HD3 LYS A 102 1.298 -17.061 -5.034 1.00 50.01 H new ATOM 0 HE2 LYS A 102 0.083 -18.857 -3.536 1.00 74.11 H new ATOM 0 HE3 LYS A 102 -0.079 -19.774 -5.021 1.00 74.11 H new ATOM 0 HZ1 LYS A 102 1.903 -20.537 -4.185 1.00 12.34 H new ATOM 0 HZ2 LYS A 102 2.453 -19.324 -5.237 1.00 12.34 H new ATOM 0 HZ3 LYS A 102 2.374 -19.027 -3.568 1.00 12.34 H new ATOM 1653 N ALA A 103 -1.224 -14.744 -0.937 1.00 73.34 N ATOM 1654 CA ALA A 103 -1.242 -13.612 -0.009 1.00 21.12 C ATOM 1655 C ALA A 103 -0.334 -13.898 1.182 1.00 3.11 C ATOM 1656 O ALA A 103 0.490 -13.060 1.553 1.00 51.55 O ATOM 1657 CB ALA A 103 -2.677 -13.328 0.449 1.00 52.24 C ATOM 0 H ALA A 103 -2.098 -15.269 -0.951 1.00 73.34 H new ATOM 0 HA ALA A 103 -0.866 -12.725 -0.519 1.00 21.12 H new ATOM 0 HB1 ALA A 103 -2.678 -12.484 1.139 1.00 52.24 H new ATOM 0 HB2 ALA A 103 -3.295 -13.090 -0.417 1.00 52.24 H new ATOM 0 HB3 ALA A 103 -3.080 -14.208 0.951 1.00 52.24 H new ATOM 1663 N MET A 104 -0.471 -15.122 1.735 1.00 42.30 N ATOM 1664 CA MET A 104 0.319 -15.588 2.891 1.00 44.42 C ATOM 1665 C MET A 104 1.832 -15.534 2.606 1.00 34.33 C ATOM 1666 O MET A 104 2.630 -15.315 3.526 1.00 30.53 O ATOM 1667 CB MET A 104 -0.084 -17.031 3.300 1.00 14.24 C ATOM 1668 CG MET A 104 0.316 -18.141 2.318 1.00 60.43 C ATOM 1669 SD MET A 104 0.061 -19.802 2.978 1.00 61.23 S ATOM 1670 CE MET A 104 -1.647 -19.741 3.494 1.00 35.02 C ATOM 0 H MET A 104 -1.135 -15.815 1.390 1.00 42.30 H new ATOM 0 HA MET A 104 0.100 -14.911 3.717 1.00 44.42 H new ATOM 0 HB2 MET A 104 0.363 -17.252 4.270 1.00 14.24 H new ATOM 0 HB3 MET A 104 -1.165 -17.062 3.433 1.00 14.24 H new ATOM 0 HG2 MET A 104 -0.261 -18.030 1.400 1.00 60.43 H new ATOM 0 HG3 MET A 104 1.366 -18.020 2.052 1.00 60.43 H new ATOM 0 HE1 MET A 104 -2.021 -20.755 3.634 1.00 35.02 H new ATOM 0 HE2 MET A 104 -1.724 -19.193 4.433 1.00 35.02 H new ATOM 0 HE3 MET A 104 -2.240 -19.237 2.730 1.00 35.02 H new ATOM 1680 N ASP A 105 2.195 -15.738 1.319 1.00 61.05 N ATOM 1681 CA ASP A 105 3.583 -15.631 0.843 1.00 54.12 C ATOM 1682 C ASP A 105 4.091 -14.194 0.989 1.00 45.11 C ATOM 1683 O ASP A 105 5.223 -13.969 1.414 1.00 0.01 O ATOM 1684 CB ASP A 105 3.711 -16.051 -0.649 1.00 3.55 C ATOM 1685 CG ASP A 105 3.351 -17.516 -0.943 1.00 4.23 C ATOM 1686 OD1 ASP A 105 3.686 -18.398 -0.128 1.00 52.41 O ATOM 1687 OD2 ASP A 105 2.766 -17.794 -2.018 1.00 30.32 O ATOM 0 H ASP A 105 1.530 -15.981 0.585 1.00 61.05 H new ATOM 0 HA ASP A 105 4.182 -16.305 1.455 1.00 54.12 H new ATOM 0 HB2 ASP A 105 3.068 -15.407 -1.249 1.00 3.55 H new ATOM 0 HB3 ASP A 105 4.735 -15.872 -0.975 1.00 3.55 H new ATOM 1692 N VAL A 106 3.218 -13.231 0.646 1.00 1.20 N ATOM 1693 CA VAL A 106 3.577 -11.808 0.577 1.00 71.33 C ATOM 1694 C VAL A 106 3.574 -11.192 2.000 1.00 5.21 C ATOM 1695 O VAL A 106 4.346 -10.268 2.282 1.00 11.43 O ATOM 1696 CB VAL A 106 2.609 -11.034 -0.395 1.00 35.01 C ATOM 1697 CG1 VAL A 106 3.040 -9.569 -0.574 1.00 1.24 C ATOM 1698 CG2 VAL A 106 2.519 -11.737 -1.773 1.00 43.01 C ATOM 0 H VAL A 106 2.244 -13.420 0.409 1.00 1.20 H new ATOM 0 HA VAL A 106 4.584 -11.715 0.170 1.00 71.33 H new ATOM 0 HB VAL A 106 1.620 -11.043 0.064 1.00 35.01 H new ATOM 0 HG11 VAL A 106 2.349 -9.067 -1.251 1.00 1.24 H new ATOM 0 HG12 VAL A 106 3.031 -9.066 0.393 1.00 1.24 H new ATOM 0 HG13 VAL A 106 4.046 -9.534 -0.991 1.00 1.24 H new ATOM 0 HG21 VAL A 106 1.844 -11.180 -2.422 1.00 43.01 H new ATOM 0 HG22 VAL A 106 3.509 -11.776 -2.227 1.00 43.01 H new ATOM 0 HG23 VAL A 106 2.141 -12.751 -1.640 1.00 43.01 H new ATOM 1708 N TYR A 107 2.718 -11.745 2.898 1.00 21.23 N ATOM 1709 CA TYR A 107 2.723 -11.403 4.344 1.00 74.30 C ATOM 1710 C TYR A 107 4.028 -11.894 4.996 1.00 53.02 C ATOM 1711 O TYR A 107 4.640 -11.174 5.790 1.00 12.34 O ATOM 1712 CB TYR A 107 1.502 -12.023 5.094 1.00 62.31 C ATOM 1713 CG TYR A 107 0.160 -11.306 4.862 1.00 74.20 C ATOM 1714 CD1 TYR A 107 0.010 -9.950 5.171 1.00 53.31 C ATOM 1715 CD2 TYR A 107 -0.960 -11.983 4.368 1.00 73.03 C ATOM 1716 CE1 TYR A 107 -1.196 -9.302 4.991 1.00 14.15 C ATOM 1717 CE2 TYR A 107 -2.167 -11.333 4.186 1.00 43.41 C ATOM 1718 CZ TYR A 107 -2.276 -9.997 4.499 1.00 30.43 C ATOM 1719 OH TYR A 107 -3.471 -9.350 4.316 1.00 60.34 O ATOM 0 H TYR A 107 2.011 -12.434 2.643 1.00 21.23 H new ATOM 0 HA TYR A 107 2.651 -10.318 4.423 1.00 74.30 H new ATOM 0 HB2 TYR A 107 1.398 -13.064 4.788 1.00 62.31 H new ATOM 0 HB3 TYR A 107 1.715 -12.025 6.163 1.00 62.31 H new ATOM 0 HD1 TYR A 107 0.854 -9.399 5.558 1.00 53.31 H new ATOM 0 HD2 TYR A 107 -0.881 -13.032 4.124 1.00 73.03 H new ATOM 0 HE1 TYR A 107 -1.291 -8.254 5.235 1.00 14.15 H new ATOM 0 HE2 TYR A 107 -3.020 -11.871 3.800 1.00 43.41 H new ATOM 0 HH TYR A 107 -4.133 -9.980 3.961 1.00 60.34 H new ATOM 1729 N GLN A 108 4.426 -13.132 4.633 1.00 60.33 N ATOM 1730 CA GLN A 108 5.655 -13.782 5.123 1.00 22.32 C ATOM 1731 C GLN A 108 6.869 -12.939 4.706 1.00 14.41 C ATOM 1732 O GLN A 108 7.710 -12.591 5.545 1.00 14.35 O ATOM 1733 CB GLN A 108 5.751 -15.242 4.552 1.00 32.23 C ATOM 1734 CG GLN A 108 6.740 -16.201 5.272 1.00 72.44 C ATOM 1735 CD GLN A 108 8.216 -16.021 4.894 1.00 73.23 C ATOM 1736 OE1 GLN A 108 8.910 -15.149 5.596 1.00 41.31 O flip ATOM 1737 NE2 GLN A 108 8.706 -16.648 3.963 1.00 53.41 N flip ATOM 0 H GLN A 108 3.895 -13.713 3.984 1.00 60.33 H new ATOM 0 HA GLN A 108 5.635 -13.850 6.211 1.00 22.32 H new ATOM 0 HB2 GLN A 108 4.757 -15.688 4.585 1.00 32.23 H new ATOM 0 HB3 GLN A 108 6.038 -15.180 3.502 1.00 32.23 H new ATOM 0 HG2 GLN A 108 6.638 -16.062 6.348 1.00 72.44 H new ATOM 0 HG3 GLN A 108 6.448 -17.228 5.054 1.00 72.44 H new ATOM 0 HE21 GLN A 108 8.137 -17.315 3.442 1.00 53.41 H new ATOM 0 HE22 GLN A 108 9.683 -16.503 3.709 1.00 53.41 H new ATOM 1746 N LYS A 109 6.920 -12.584 3.405 1.00 35.41 N ATOM 1747 CA LYS A 109 8.022 -11.797 2.837 1.00 20.01 C ATOM 1748 C LYS A 109 8.033 -10.363 3.370 1.00 71.14 C ATOM 1749 O LYS A 109 9.104 -9.783 3.499 1.00 60.11 O ATOM 1750 CB LYS A 109 7.993 -11.815 1.285 1.00 74.54 C ATOM 1751 CG LYS A 109 8.221 -13.209 0.662 1.00 74.31 C ATOM 1752 CD LYS A 109 9.528 -13.901 1.118 1.00 24.35 C ATOM 1753 CE LYS A 109 10.793 -13.109 0.741 1.00 5.11 C ATOM 1754 NZ LYS A 109 12.034 -13.770 1.234 1.00 52.12 N ATOM 0 H LYS A 109 6.201 -12.836 2.727 1.00 35.41 H new ATOM 0 HA LYS A 109 8.949 -12.271 3.159 1.00 20.01 H new ATOM 0 HB2 LYS A 109 7.030 -11.432 0.947 1.00 74.54 H new ATOM 0 HB3 LYS A 109 8.757 -11.133 0.911 1.00 74.54 H new ATOM 0 HG2 LYS A 109 7.376 -13.850 0.914 1.00 74.31 H new ATOM 0 HG3 LYS A 109 8.234 -13.112 -0.424 1.00 74.31 H new ATOM 0 HD2 LYS A 109 9.501 -14.039 2.199 1.00 24.35 H new ATOM 0 HD3 LYS A 109 9.581 -14.894 0.671 1.00 24.35 H new ATOM 0 HE2 LYS A 109 10.845 -13.003 -0.343 1.00 5.11 H new ATOM 0 HE3 LYS A 109 10.728 -12.103 1.157 1.00 5.11 H new ATOM 0 HZ1 LYS A 109 12.381 -13.272 2.078 1.00 52.12 H new ATOM 0 HZ2 LYS A 109 11.827 -14.760 1.477 1.00 52.12 H new ATOM 0 HZ3 LYS A 109 12.762 -13.740 0.491 1.00 52.12 H new ATOM 1768 N ALA A 110 6.847 -9.812 3.694 1.00 44.42 N ATOM 1769 CA ALA A 110 6.731 -8.496 4.354 1.00 31.02 C ATOM 1770 C ALA A 110 7.404 -8.540 5.744 1.00 13.30 C ATOM 1771 O ALA A 110 8.224 -7.678 6.087 1.00 54.45 O ATOM 1772 CB ALA A 110 5.255 -8.078 4.459 1.00 32.45 C ATOM 0 H ALA A 110 5.950 -10.261 3.508 1.00 44.42 H new ATOM 0 HA ALA A 110 7.246 -7.747 3.752 1.00 31.02 H new ATOM 0 HB1 ALA A 110 5.186 -7.106 4.948 1.00 32.45 H new ATOM 0 HB2 ALA A 110 4.823 -8.014 3.460 1.00 32.45 H new ATOM 0 HB3 ALA A 110 4.708 -8.818 5.044 1.00 32.45 H new ATOM 1778 N LEU A 111 7.085 -9.593 6.517 1.00 4.42 N ATOM 1779 CA LEU A 111 7.725 -9.867 7.825 1.00 14.31 C ATOM 1780 C LEU A 111 9.246 -10.118 7.664 1.00 54.05 C ATOM 1781 O LEU A 111 10.044 -9.753 8.538 1.00 11.13 O ATOM 1782 CB LEU A 111 7.045 -11.096 8.491 1.00 71.14 C ATOM 1783 CG LEU A 111 5.544 -10.914 8.884 1.00 63.12 C ATOM 1784 CD1 LEU A 111 4.888 -12.258 9.273 1.00 53.01 C ATOM 1785 CD2 LEU A 111 5.397 -9.879 10.010 1.00 44.32 C ATOM 0 H LEU A 111 6.377 -10.280 6.257 1.00 4.42 H new ATOM 0 HA LEU A 111 7.597 -8.991 8.462 1.00 14.31 H new ATOM 0 HB2 LEU A 111 7.122 -11.943 7.810 1.00 71.14 H new ATOM 0 HB3 LEU A 111 7.607 -11.356 9.388 1.00 71.14 H new ATOM 0 HG LEU A 111 5.017 -10.540 8.007 1.00 63.12 H new ATOM 0 HD11 LEU A 111 3.845 -12.090 9.540 1.00 53.01 H new ATOM 0 HD12 LEU A 111 4.940 -12.946 8.429 1.00 53.01 H new ATOM 0 HD13 LEU A 111 5.416 -12.687 10.125 1.00 53.01 H new ATOM 0 HD21 LEU A 111 4.344 -9.768 10.267 1.00 44.32 H new ATOM 0 HD22 LEU A 111 5.952 -10.214 10.887 1.00 44.32 H new ATOM 0 HD23 LEU A 111 5.791 -8.919 9.676 1.00 44.32 H new ATOM 1797 N ASP A 112 9.607 -10.738 6.529 1.00 71.22 N ATOM 1798 CA ASP A 112 10.988 -11.122 6.189 1.00 53.22 C ATOM 1799 C ASP A 112 11.830 -9.889 5.785 1.00 5.24 C ATOM 1800 O ASP A 112 13.057 -9.886 5.970 1.00 73.00 O ATOM 1801 CB ASP A 112 10.940 -12.184 5.060 1.00 40.42 C ATOM 1802 CG ASP A 112 12.312 -12.681 4.595 1.00 31.21 C ATOM 1803 OD1 ASP A 112 12.914 -13.529 5.285 1.00 0.44 O ATOM 1804 OD2 ASP A 112 12.789 -12.241 3.528 1.00 53.35 O ATOM 0 H ASP A 112 8.933 -10.992 5.806 1.00 71.22 H new ATOM 0 HA ASP A 112 11.477 -11.552 7.063 1.00 53.22 H new ATOM 0 HB2 ASP A 112 10.357 -13.037 5.406 1.00 40.42 H new ATOM 0 HB3 ASP A 112 10.412 -11.763 4.205 1.00 40.42 H new ATOM 1809 N LEU A 113 11.154 -8.836 5.261 1.00 32.40 N ATOM 1810 CA LEU A 113 11.805 -7.556 4.916 1.00 32.22 C ATOM 1811 C LEU A 113 12.311 -6.864 6.201 1.00 73.21 C ATOM 1812 O LEU A 113 13.500 -6.519 6.297 1.00 30.02 O ATOM 1813 CB LEU A 113 10.854 -6.619 4.103 1.00 44.40 C ATOM 1814 CG LEU A 113 10.434 -7.101 2.668 1.00 44.24 C ATOM 1815 CD1 LEU A 113 9.536 -6.069 1.951 1.00 45.14 C ATOM 1816 CD2 LEU A 113 11.657 -7.461 1.807 1.00 65.40 C ATOM 0 H LEU A 113 10.152 -8.853 5.069 1.00 32.40 H new ATOM 0 HA LEU A 113 12.658 -7.770 4.272 1.00 32.22 H new ATOM 0 HB2 LEU A 113 9.947 -6.467 4.688 1.00 44.40 H new ATOM 0 HB3 LEU A 113 11.338 -5.647 4.006 1.00 44.40 H new ATOM 0 HG LEU A 113 9.845 -8.008 2.803 1.00 44.24 H new ATOM 0 HD11 LEU A 113 9.269 -6.443 0.963 1.00 45.14 H new ATOM 0 HD12 LEU A 113 8.630 -5.908 2.535 1.00 45.14 H new ATOM 0 HD13 LEU A 113 10.074 -5.127 1.849 1.00 45.14 H new ATOM 0 HD21 LEU A 113 11.325 -7.790 0.822 1.00 65.40 H new ATOM 0 HD22 LEU A 113 12.297 -6.585 1.700 1.00 65.40 H new ATOM 0 HD23 LEU A 113 12.217 -8.263 2.288 1.00 65.40 H new ATOM 1828 N ASP A 114 11.403 -6.690 7.186 1.00 14.12 N ATOM 1829 CA ASP A 114 11.756 -6.131 8.515 1.00 1.33 C ATOM 1830 C ASP A 114 10.620 -6.385 9.532 1.00 4.24 C ATOM 1831 O ASP A 114 9.432 -6.340 9.177 1.00 3.50 O ATOM 1832 CB ASP A 114 12.083 -4.612 8.421 1.00 62.11 C ATOM 1833 CG ASP A 114 12.649 -4.020 9.725 1.00 24.33 C ATOM 1834 OD1 ASP A 114 13.869 -4.115 9.953 1.00 12.42 O ATOM 1835 OD2 ASP A 114 11.881 -3.469 10.529 1.00 72.42 O ATOM 0 H ASP A 114 10.416 -6.929 7.088 1.00 14.12 H new ATOM 0 HA ASP A 114 12.653 -6.642 8.865 1.00 1.33 H new ATOM 0 HB2 ASP A 114 12.802 -4.453 7.618 1.00 62.11 H new ATOM 0 HB3 ASP A 114 11.177 -4.070 8.149 1.00 62.11 H new ATOM 1840 N SER A 115 11.016 -6.599 10.807 1.00 12.11 N ATOM 1841 CA SER A 115 10.113 -6.974 11.916 1.00 60.13 C ATOM 1842 C SER A 115 9.098 -5.860 12.254 1.00 62.12 C ATOM 1843 O SER A 115 8.041 -6.148 12.804 1.00 12.34 O ATOM 1844 CB SER A 115 10.940 -7.350 13.169 1.00 43.03 C ATOM 1845 OG SER A 115 10.116 -7.850 14.217 1.00 70.03 O ATOM 0 H SER A 115 11.990 -6.514 11.098 1.00 12.11 H new ATOM 0 HA SER A 115 9.537 -7.839 11.587 1.00 60.13 H new ATOM 0 HB2 SER A 115 11.683 -8.101 12.902 1.00 43.03 H new ATOM 0 HB3 SER A 115 11.484 -6.474 13.521 1.00 43.03 H new ATOM 0 HG SER A 115 10.673 -8.078 14.990 1.00 70.03 H new ATOM 1851 N SER A 116 9.394 -4.592 11.879 1.00 1.22 N ATOM 1852 CA SER A 116 8.441 -3.460 12.050 1.00 3.13 C ATOM 1853 C SER A 116 7.158 -3.656 11.193 1.00 44.02 C ATOM 1854 O SER A 116 6.207 -2.872 11.289 1.00 14.53 O ATOM 1855 CB SER A 116 9.142 -2.120 11.716 1.00 25.04 C ATOM 1856 OG SER A 116 8.303 -0.994 11.954 1.00 23.03 O ATOM 0 H SER A 116 10.283 -4.324 11.456 1.00 1.22 H new ATOM 0 HA SER A 116 8.125 -3.435 13.093 1.00 3.13 H new ATOM 0 HB2 SER A 116 10.048 -2.028 12.315 1.00 25.04 H new ATOM 0 HB3 SER A 116 9.451 -2.125 10.671 1.00 25.04 H new ATOM 0 HG SER A 116 7.364 -1.270 11.907 1.00 23.03 H new ATOM 1862 N CYS A 117 7.159 -4.714 10.361 1.00 33.33 N ATOM 1863 CA CYS A 117 5.997 -5.153 9.592 1.00 54.20 C ATOM 1864 C CYS A 117 5.143 -6.201 10.346 1.00 61.35 C ATOM 1865 O CYS A 117 4.342 -6.879 9.713 1.00 74.22 O ATOM 1866 CB CYS A 117 6.465 -5.716 8.244 1.00 73.24 C ATOM 1867 SG CYS A 117 5.131 -6.020 7.076 1.00 74.30 S ATOM 0 H CYS A 117 7.985 -5.292 10.207 1.00 33.33 H new ATOM 0 HA CYS A 117 5.357 -4.285 9.435 1.00 54.20 H new ATOM 0 HB2 CYS A 117 7.174 -5.019 7.797 1.00 73.24 H new ATOM 0 HB3 CYS A 117 7.002 -6.649 8.418 1.00 73.24 H new ATOM 0 HG CYS A 117 4.786 -4.901 6.511 1.00 74.30 H new ATOM 1873 N LYS A 118 5.335 -6.371 11.684 1.00 72.52 N ATOM 1874 CA LYS A 118 4.472 -7.272 12.518 1.00 55.11 C ATOM 1875 C LYS A 118 2.947 -7.013 12.338 1.00 44.32 C ATOM 1876 O LYS A 118 2.133 -7.908 12.607 1.00 61.04 O ATOM 1877 CB LYS A 118 4.850 -7.188 14.031 1.00 41.43 C ATOM 1878 CG LYS A 118 6.151 -7.929 14.435 1.00 3.32 C ATOM 1879 CD LYS A 118 6.119 -9.452 14.146 1.00 4.34 C ATOM 1880 CE LYS A 118 4.976 -10.182 14.880 1.00 54.35 C ATOM 1881 NZ LYS A 118 5.023 -9.976 16.349 1.00 1.41 N ATOM 0 H LYS A 118 6.073 -5.902 12.210 1.00 72.52 H new ATOM 0 HA LYS A 118 4.671 -8.279 12.153 1.00 55.11 H new ATOM 0 HB2 LYS A 118 4.950 -6.138 14.305 1.00 41.43 H new ATOM 0 HB3 LYS A 118 4.025 -7.593 14.617 1.00 41.43 H new ATOM 0 HG2 LYS A 118 6.992 -7.485 13.902 1.00 3.32 H new ATOM 0 HG3 LYS A 118 6.331 -7.774 15.499 1.00 3.32 H new ATOM 0 HD2 LYS A 118 6.013 -9.610 13.073 1.00 4.34 H new ATOM 0 HD3 LYS A 118 7.072 -9.892 14.441 1.00 4.34 H new ATOM 0 HE2 LYS A 118 4.018 -9.829 14.497 1.00 54.35 H new ATOM 0 HE3 LYS A 118 5.032 -11.249 14.664 1.00 54.35 H new ATOM 0 HZ1 LYS A 118 4.287 -10.553 16.804 1.00 1.41 H new ATOM 0 HZ2 LYS A 118 5.957 -10.258 16.709 1.00 1.41 H new ATOM 0 HZ3 LYS A 118 4.858 -8.972 16.564 1.00 1.41 H new ATOM 1895 N GLU A 119 2.580 -5.805 11.876 1.00 22.52 N ATOM 1896 CA GLU A 119 1.185 -5.460 11.508 1.00 41.42 C ATOM 1897 C GLU A 119 0.627 -6.420 10.414 1.00 41.54 C ATOM 1898 O GLU A 119 -0.572 -6.724 10.389 1.00 53.40 O ATOM 1899 CB GLU A 119 1.131 -3.986 11.028 1.00 2.12 C ATOM 1900 CG GLU A 119 2.003 -3.691 9.787 1.00 14.53 C ATOM 1901 CD GLU A 119 1.975 -2.217 9.370 1.00 33.12 C ATOM 1902 OE1 GLU A 119 1.081 -1.823 8.588 1.00 52.22 O ATOM 1903 OE2 GLU A 119 2.843 -1.447 9.826 1.00 33.53 O ATOM 0 H GLU A 119 3.238 -5.037 11.745 1.00 22.52 H new ATOM 0 HA GLU A 119 0.553 -5.577 12.388 1.00 41.42 H new ATOM 0 HB2 GLU A 119 0.097 -3.727 10.801 1.00 2.12 H new ATOM 0 HB3 GLU A 119 1.450 -3.338 11.844 1.00 2.12 H new ATOM 0 HG2 GLU A 119 3.032 -3.984 9.995 1.00 14.53 H new ATOM 0 HG3 GLU A 119 1.659 -4.305 8.954 1.00 14.53 H new ATOM 1910 N ALA A 120 1.527 -6.893 9.530 1.00 55.34 N ATOM 1911 CA ALA A 120 1.216 -7.870 8.472 1.00 52.34 C ATOM 1912 C ALA A 120 1.040 -9.293 9.037 1.00 72.33 C ATOM 1913 O ALA A 120 0.421 -10.135 8.378 1.00 62.12 O ATOM 1914 CB ALA A 120 2.305 -7.842 7.390 1.00 4.53 C ATOM 0 H ALA A 120 2.505 -6.602 9.532 1.00 55.34 H new ATOM 0 HA ALA A 120 0.264 -7.584 8.023 1.00 52.34 H new ATOM 0 HB1 ALA A 120 2.065 -8.568 6.613 1.00 4.53 H new ATOM 0 HB2 ALA A 120 2.357 -6.845 6.952 1.00 4.53 H new ATOM 0 HB3 ALA A 120 3.267 -8.093 7.836 1.00 4.53 H new ATOM 1920 N ALA A 121 1.572 -9.552 10.258 1.00 25.43 N ATOM 1921 CA ALA A 121 1.426 -10.869 10.927 1.00 41.43 C ATOM 1922 C ALA A 121 -0.026 -11.067 11.387 1.00 63.44 C ATOM 1923 O ALA A 121 -0.543 -12.187 11.371 1.00 33.30 O ATOM 1924 CB ALA A 121 2.391 -11.007 12.112 1.00 65.14 C ATOM 0 H ALA A 121 2.104 -8.869 10.797 1.00 25.43 H new ATOM 0 HA ALA A 121 1.679 -11.646 10.205 1.00 41.43 H new ATOM 0 HB1 ALA A 121 2.257 -11.983 12.579 1.00 65.14 H new ATOM 0 HB2 ALA A 121 3.418 -10.912 11.758 1.00 65.14 H new ATOM 0 HB3 ALA A 121 2.185 -10.224 12.842 1.00 65.14 H new ATOM 1930 N ASP A 122 -0.669 -9.949 11.771 1.00 42.54 N ATOM 1931 CA ASP A 122 -2.105 -9.907 12.111 1.00 2.04 C ATOM 1932 C ASP A 122 -2.940 -10.382 10.902 1.00 64.13 C ATOM 1933 O ASP A 122 -3.761 -11.301 11.016 1.00 14.21 O ATOM 1934 CB ASP A 122 -2.502 -8.466 12.521 1.00 71.20 C ATOM 1935 CG ASP A 122 -3.968 -8.346 12.980 1.00 52.31 C ATOM 1936 OD1 ASP A 122 -4.247 -8.582 14.176 1.00 11.13 O ATOM 1937 OD2 ASP A 122 -4.851 -8.014 12.155 1.00 34.31 O ATOM 0 H ASP A 122 -0.205 -9.044 11.855 1.00 42.54 H new ATOM 0 HA ASP A 122 -2.302 -10.573 12.951 1.00 2.04 H new ATOM 0 HB2 ASP A 122 -1.848 -8.131 13.326 1.00 71.20 H new ATOM 0 HB3 ASP A 122 -2.337 -7.797 11.677 1.00 71.20 H new ATOM 1942 N GLY A 123 -2.664 -9.770 9.736 1.00 41.01 N ATOM 1943 CA GLY A 123 -3.328 -10.134 8.484 1.00 51.04 C ATOM 1944 C GLY A 123 -2.956 -11.523 7.974 1.00 1.34 C ATOM 1945 O GLY A 123 -3.762 -12.164 7.296 1.00 60.13 O ATOM 0 H GLY A 123 -1.981 -9.018 9.641 1.00 41.01 H new ATOM 0 HA2 GLY A 123 -4.407 -10.087 8.628 1.00 51.04 H new ATOM 0 HA3 GLY A 123 -3.076 -9.397 7.722 1.00 51.04 H new ATOM 1949 N TYR A 124 -1.733 -11.986 8.310 1.00 70.44 N ATOM 1950 CA TYR A 124 -1.256 -13.335 7.955 1.00 3.12 C ATOM 1951 C TYR A 124 -2.134 -14.424 8.601 1.00 51.53 C ATOM 1952 O TYR A 124 -2.653 -15.300 7.896 1.00 74.13 O ATOM 1953 CB TYR A 124 0.230 -13.500 8.365 1.00 52.23 C ATOM 1954 CG TYR A 124 0.807 -14.911 8.153 1.00 62.34 C ATOM 1955 CD1 TYR A 124 0.700 -15.564 6.921 1.00 43.10 C ATOM 1956 CD2 TYR A 124 1.457 -15.595 9.188 1.00 60.35 C ATOM 1957 CE1 TYR A 124 1.210 -16.837 6.740 1.00 4.11 C ATOM 1958 CE2 TYR A 124 1.969 -16.869 9.002 1.00 70.14 C ATOM 1959 CZ TYR A 124 1.839 -17.482 7.777 1.00 25.12 C ATOM 1960 OH TYR A 124 2.336 -18.755 7.591 1.00 75.21 O ATOM 0 H TYR A 124 -1.052 -11.435 8.833 1.00 70.44 H new ATOM 0 HA TYR A 124 -1.332 -13.454 6.874 1.00 3.12 H new ATOM 0 HB2 TYR A 124 0.830 -12.789 7.797 1.00 52.23 H new ATOM 0 HB3 TYR A 124 0.333 -13.235 9.417 1.00 52.23 H new ATOM 0 HD1 TYR A 124 0.211 -15.066 6.097 1.00 43.10 H new ATOM 0 HD2 TYR A 124 1.561 -15.119 10.152 1.00 60.35 H new ATOM 0 HE1 TYR A 124 1.113 -17.325 5.781 1.00 4.11 H new ATOM 0 HE2 TYR A 124 2.467 -17.378 9.814 1.00 70.14 H new ATOM 0 HH TYR A 124 2.752 -19.068 8.421 1.00 75.21 H new ATOM 1970 N GLN A 125 -2.312 -14.335 9.934 1.00 53.54 N ATOM 1971 CA GLN A 125 -3.161 -15.269 10.716 1.00 10.25 C ATOM 1972 C GLN A 125 -4.605 -15.331 10.176 1.00 3.44 C ATOM 1973 O GLN A 125 -5.250 -16.379 10.262 1.00 11.22 O ATOM 1974 CB GLN A 125 -3.142 -14.895 12.232 1.00 12.10 C ATOM 1975 CG GLN A 125 -2.046 -15.598 13.071 1.00 55.12 C ATOM 1976 CD GLN A 125 -0.662 -15.601 12.418 1.00 63.45 C ATOM 1977 OE1 GLN A 125 0.076 -14.534 12.598 1.00 53.45 O flip ATOM 1978 NE2 GLN A 125 -0.282 -16.549 11.731 1.00 14.24 N flip ATOM 0 H GLN A 125 -1.872 -13.613 10.504 1.00 53.54 H new ATOM 0 HA GLN A 125 -2.737 -16.267 10.603 1.00 10.25 H new ATOM 0 HB2 GLN A 125 -3.010 -13.817 12.322 1.00 12.10 H new ATOM 0 HB3 GLN A 125 -4.115 -15.134 12.661 1.00 12.10 H new ATOM 0 HG2 GLN A 125 -1.976 -15.107 14.042 1.00 55.12 H new ATOM 0 HG3 GLN A 125 -2.350 -16.628 13.256 1.00 55.12 H new ATOM 0 HE21 GLN A 125 -0.882 -17.365 11.611 1.00 14.24 H new ATOM 0 HE22 GLN A 125 0.633 -16.518 11.281 1.00 14.24 H new ATOM 1987 N ARG A 126 -5.092 -14.214 9.612 1.00 12.22 N ATOM 1988 CA ARG A 126 -6.397 -14.173 8.930 1.00 54.15 C ATOM 1989 C ARG A 126 -6.318 -14.861 7.543 1.00 44.04 C ATOM 1990 O ARG A 126 -7.243 -15.587 7.156 1.00 54.35 O ATOM 1991 CB ARG A 126 -6.886 -12.710 8.779 1.00 54.12 C ATOM 1992 CG ARG A 126 -8.131 -12.539 7.872 1.00 42.44 C ATOM 1993 CD ARG A 126 -8.667 -11.097 7.817 1.00 1.41 C ATOM 1994 NE ARG A 126 -9.413 -10.839 6.573 1.00 2.53 N ATOM 1995 CZ ARG A 126 -10.746 -10.808 6.426 1.00 25.44 C ATOM 1996 NH1 ARG A 126 -11.565 -11.029 7.453 1.00 71.11 N ATOM 1997 NH2 ARG A 126 -11.243 -10.563 5.231 1.00 63.41 N ATOM 0 H ARG A 126 -4.598 -13.321 9.615 1.00 12.22 H new ATOM 0 HA ARG A 126 -7.115 -14.719 9.542 1.00 54.15 H new ATOM 0 HB2 ARG A 126 -7.115 -12.313 9.768 1.00 54.12 H new ATOM 0 HB3 ARG A 126 -6.072 -12.108 8.375 1.00 54.12 H new ATOM 0 HG2 ARG A 126 -7.880 -12.862 6.862 1.00 42.44 H new ATOM 0 HG3 ARG A 126 -8.923 -13.197 8.230 1.00 42.44 H new ATOM 0 HD2 ARG A 126 -9.316 -10.917 8.674 1.00 1.41 H new ATOM 0 HD3 ARG A 126 -7.835 -10.397 7.894 1.00 1.41 H new ATOM 0 HE ARG A 126 -8.857 -10.666 5.735 1.00 2.53 H new ATOM 0 HH11 ARG A 126 -11.182 -11.227 8.377 1.00 71.11 H new ATOM 0 HH12 ARG A 126 -12.575 -11.000 7.315 1.00 71.11 H new ATOM 0 HH21 ARG A 126 -10.617 -10.402 4.442 1.00 63.41 H new ATOM 0 HH22 ARG A 126 -12.253 -10.534 5.095 1.00 63.41 H new ATOM 2011 N CYS A 127 -5.190 -14.660 6.833 1.00 64.41 N ATOM 2012 CA CYS A 127 -5.021 -15.094 5.431 1.00 34.30 C ATOM 2013 C CYS A 127 -5.002 -16.626 5.340 1.00 62.33 C ATOM 2014 O CYS A 127 -5.727 -17.230 4.531 1.00 24.32 O ATOM 2015 CB CYS A 127 -3.712 -14.513 4.865 1.00 43.02 C ATOM 2016 SG CYS A 127 -3.334 -15.036 3.186 1.00 43.05 S ATOM 0 H CYS A 127 -4.369 -14.191 7.216 1.00 64.41 H new ATOM 0 HA CYS A 127 -5.862 -14.726 4.844 1.00 34.30 H new ATOM 0 HB2 CYS A 127 -3.771 -13.425 4.889 1.00 43.02 H new ATOM 0 HB3 CYS A 127 -2.888 -14.802 5.517 1.00 43.02 H new ATOM 0 HG CYS A 127 -3.322 -16.335 3.128 1.00 43.05 H new ATOM 2022 N MET A 128 -4.164 -17.241 6.192 1.00 60.44 N ATOM 2023 CA MET A 128 -4.077 -18.705 6.301 1.00 61.44 C ATOM 2024 C MET A 128 -5.402 -19.314 6.818 1.00 61.43 C ATOM 2025 O MET A 128 -5.893 -20.291 6.241 1.00 53.42 O ATOM 2026 CB MET A 128 -2.877 -19.130 7.197 1.00 4.13 C ATOM 2027 CG MET A 128 -2.866 -18.533 8.615 1.00 43.21 C ATOM 2028 SD MET A 128 -1.632 -19.290 9.688 1.00 55.02 S ATOM 2029 CE MET A 128 -2.284 -20.957 9.851 1.00 13.23 C ATOM 0 H MET A 128 -3.533 -16.741 6.819 1.00 60.44 H new ATOM 0 HA MET A 128 -3.904 -19.099 5.300 1.00 61.44 H new ATOM 0 HB2 MET A 128 -2.874 -20.217 7.279 1.00 4.13 H new ATOM 0 HB3 MET A 128 -1.952 -18.846 6.695 1.00 4.13 H new ATOM 0 HG2 MET A 128 -2.675 -17.462 8.551 1.00 43.21 H new ATOM 0 HG3 MET A 128 -3.852 -18.655 9.062 1.00 43.21 H new ATOM 0 HE1 MET A 128 -1.884 -21.417 10.754 1.00 13.23 H new ATOM 0 HE2 MET A 128 -3.371 -20.918 9.915 1.00 13.23 H new ATOM 0 HE3 MET A 128 -1.993 -21.548 8.983 1.00 13.23 H new ATOM 2039 N MET A 129 -5.996 -18.706 7.871 1.00 52.04 N ATOM 2040 CA MET A 129 -7.213 -19.252 8.513 1.00 1.15 C ATOM 2041 C MET A 129 -8.442 -19.146 7.591 1.00 14.22 C ATOM 2042 O MET A 129 -9.374 -19.919 7.742 1.00 75.13 O ATOM 2043 CB MET A 129 -7.522 -18.567 9.888 1.00 1.51 C ATOM 2044 CG MET A 129 -8.388 -17.293 9.820 1.00 53.13 C ATOM 2045 SD MET A 129 -8.820 -16.615 11.436 1.00 10.14 S ATOM 2046 CE MET A 129 -10.089 -15.436 10.968 1.00 31.12 C ATOM 0 H MET A 129 -5.654 -17.842 8.292 1.00 52.04 H new ATOM 0 HA MET A 129 -7.005 -20.305 8.699 1.00 1.15 H new ATOM 0 HB2 MET A 129 -8.024 -19.291 10.529 1.00 1.51 H new ATOM 0 HB3 MET A 129 -6.576 -18.316 10.369 1.00 1.51 H new ATOM 0 HG2 MET A 129 -7.855 -16.533 9.249 1.00 53.13 H new ATOM 0 HG3 MET A 129 -9.304 -17.517 9.274 1.00 53.13 H new ATOM 0 HE1 MET A 129 -10.462 -14.930 11.859 1.00 31.12 H new ATOM 0 HE2 MET A 129 -9.668 -14.701 10.282 1.00 31.12 H new ATOM 0 HE3 MET A 129 -10.910 -15.960 10.479 1.00 31.12 H new ATOM 2056 N ALA A 130 -8.427 -18.185 6.643 1.00 31.22 N ATOM 2057 CA ALA A 130 -9.579 -17.902 5.761 1.00 20.33 C ATOM 2058 C ALA A 130 -10.004 -19.149 4.963 1.00 2.32 C ATOM 2059 O ALA A 130 -11.190 -19.497 4.897 1.00 42.25 O ATOM 2060 CB ALA A 130 -9.253 -16.734 4.822 1.00 41.42 C ATOM 0 H ALA A 130 -7.620 -17.586 6.468 1.00 31.22 H new ATOM 0 HA ALA A 130 -10.423 -17.620 6.390 1.00 20.33 H new ATOM 0 HB1 ALA A 130 -10.109 -16.535 4.178 1.00 41.42 H new ATOM 0 HB2 ALA A 130 -9.029 -15.845 5.411 1.00 41.42 H new ATOM 0 HB3 ALA A 130 -8.389 -16.990 4.209 1.00 41.42 H new ATOM 2066 N GLN A 131 -9.007 -19.825 4.384 1.00 24.55 N ATOM 2067 CA GLN A 131 -9.207 -21.104 3.674 1.00 73.42 C ATOM 2068 C GLN A 131 -9.327 -22.282 4.662 1.00 44.12 C ATOM 2069 O GLN A 131 -9.960 -23.293 4.345 1.00 10.42 O ATOM 2070 CB GLN A 131 -8.061 -21.348 2.652 1.00 42.42 C ATOM 2071 CG GLN A 131 -6.649 -21.152 3.218 1.00 11.30 C ATOM 2072 CD GLN A 131 -5.540 -21.418 2.207 1.00 61.51 C ATOM 2073 OE1 GLN A 131 -5.696 -22.191 1.272 1.00 4.42 O ATOM 2074 NE2 GLN A 131 -4.405 -20.799 2.404 1.00 51.31 N ATOM 0 H GLN A 131 -8.038 -19.507 4.391 1.00 24.55 H new ATOM 0 HA GLN A 131 -10.147 -21.040 3.125 1.00 73.42 H new ATOM 0 HB2 GLN A 131 -8.146 -22.364 2.266 1.00 42.42 H new ATOM 0 HB3 GLN A 131 -8.196 -20.674 1.806 1.00 42.42 H new ATOM 0 HG2 GLN A 131 -6.554 -20.131 3.588 1.00 11.30 H new ATOM 0 HG3 GLN A 131 -6.515 -21.814 4.073 1.00 11.30 H new ATOM 0 HE21 GLN A 131 -4.303 -20.160 3.192 1.00 51.31 H new ATOM 0 HE22 GLN A 131 -3.622 -20.956 1.770 1.00 51.31 H new ATOM 2083 N TYR A 132 -8.733 -22.148 5.871 1.00 71.12 N ATOM 2084 CA TYR A 132 -8.816 -23.197 6.919 1.00 44.45 C ATOM 2085 C TYR A 132 -9.950 -22.856 7.923 1.00 14.00 C ATOM 2086 O TYR A 132 -9.857 -23.174 9.114 1.00 34.50 O ATOM 2087 CB TYR A 132 -7.451 -23.296 7.689 1.00 34.03 C ATOM 2088 CG TYR A 132 -6.172 -23.453 6.837 1.00 34.41 C ATOM 2089 CD1 TYR A 132 -6.203 -23.882 5.508 1.00 41.24 C ATOM 2090 CD2 TYR A 132 -4.921 -23.137 7.382 1.00 53.34 C ATOM 2091 CE1 TYR A 132 -5.046 -23.987 4.761 1.00 13.23 C ATOM 2092 CE2 TYR A 132 -3.764 -23.249 6.638 1.00 44.22 C ATOM 2093 CZ TYR A 132 -3.834 -23.672 5.330 1.00 51.24 C ATOM 2094 OH TYR A 132 -2.684 -23.767 4.583 1.00 40.13 O ATOM 0 H TYR A 132 -8.193 -21.328 6.146 1.00 71.12 H new ATOM 0 HA TYR A 132 -9.032 -24.153 6.441 1.00 44.45 H new ATOM 0 HB2 TYR A 132 -7.342 -22.400 8.301 1.00 34.03 H new ATOM 0 HB3 TYR A 132 -7.509 -24.144 8.372 1.00 34.03 H new ATOM 0 HD1 TYR A 132 -7.150 -24.137 5.056 1.00 41.24 H new ATOM 0 HD2 TYR A 132 -4.861 -22.799 8.406 1.00 53.34 H new ATOM 0 HE1 TYR A 132 -5.093 -24.315 3.733 1.00 13.23 H new ATOM 0 HE2 TYR A 132 -2.809 -23.006 7.080 1.00 44.22 H new ATOM 0 HH TYR A 132 -1.915 -23.508 5.132 1.00 40.13 H new ATOM 2104 N ASN A 133 -11.037 -22.241 7.417 1.00 54.12 N ATOM 2105 CA ASN A 133 -12.219 -21.878 8.229 1.00 70.21 C ATOM 2106 C ASN A 133 -13.212 -23.070 8.195 1.00 14.24 C ATOM 2107 O ASN A 133 -13.195 -23.893 9.131 1.00 62.14 O ATOM 2108 CB ASN A 133 -12.874 -20.539 7.705 1.00 44.32 C ATOM 2109 CG ASN A 133 -12.646 -19.293 8.581 1.00 41.04 C ATOM 2110 OD1 ASN A 133 -13.493 -18.401 8.610 1.00 33.53 O ATOM 2111 ND2 ASN A 133 -11.525 -19.206 9.293 1.00 22.11 N ATOM 2112 OXT ASN A 133 -13.959 -23.210 7.199 1.00 38.64 O ATOM 0 H ASN A 133 -11.122 -21.981 6.434 1.00 54.12 H new ATOM 0 HA ASN A 133 -11.927 -21.688 9.262 1.00 70.21 H new ATOM 0 HB2 ASN A 133 -12.487 -20.334 6.707 1.00 44.32 H new ATOM 0 HB3 ASN A 133 -13.948 -20.697 7.604 1.00 44.32 H new ATOM 0 HD21 ASN A 133 -11.354 -18.388 9.878 1.00 22.11 H new ATOM 0 HD22 ASN A 133 -10.836 -19.957 9.254 1.00 22.11 H new TER 2119 ASN A 133