USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1234 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 45 LYS NZ :NH3+ -159:sc= 2.05 (180deg=0.3!) USER MOD Set 1.2: B 65 ASN : amide:sc= 1.17 K(o=3.2,f=-6.8!) USER MOD Set 2.1: B 58 THR OG1 : rot -173:sc= 1.35 USER MOD Set 2.2: B 59 SER OG : rot 73:sc= 0.122 USER MOD Set 3.1: B 7 HIS : no HD1:sc= 1.06 K(o=2.2,f=-9.4!) USER MOD Set 3.2: B 9 SER OG : rot 130:sc= 1.17 USER MOD Set 4.1: A 75 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.0022) USER MOD Set 4.2: B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 56 LYS NZ :NH3+ 155:sc= -0.548 (180deg=-2.13!) USER MOD Set 5.2: B 75 ASN : amide:sc= 0.62 K(o=0.072,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0486) USER MOD Single : A 7 HIS :FLIP no HE2:sc= -0.0105 F(o=-0.84,f=-0.011) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -165:sc=-0.00346 (180deg=-0.316) USER MOD Single : A 14 THR OG1 : rot 93:sc= 0.0452 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0819 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.14) USER MOD Single : A 38 ASN : amide:sc= 0.926 K(o=0.93,f=-5.8!) USER MOD Single : A 40 ASN : amide:sc= -3.78 K(o=-3.8,f=-6.6!) USER MOD Single : A 46 HIS : no HD1:sc= -0.729 X(o=-0.73,f=-0.31) USER MOD Single : A 47 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.0918 (180deg=-1.08) USER MOD Single : A 53 CYS SG : rot -37:sc=-0.000175 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.119 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 65 ASN : amide:sc= 0.0443 K(o=0.044,f=-0.47) USER MOD Single : A 66 GLN : amide:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 70 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 0.928 (180deg=-0.034!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.211 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : B 11 LYS NZ :NH3+ -166:sc= 0.89 (180deg=0.736) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 168:sc= 0 (180deg=-0.141) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.067 USER MOD Single : B 18 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.24) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.00531 USER MOD Single : B 30 SER OG : rot 180:sc= -0.182 USER MOD Single : B 31 SER OG : rot 180:sc=-0.000547 USER MOD Single : B 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0156) USER MOD Single : B 35 LYS NZ :NH3+ -158:sc= 2.21 (180deg=1.28) USER MOD Single : B 38 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 40 ASN : amide:sc=-0.00109 X(o=-0.0011,f=0) USER MOD Single : B 45 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0.993) USER MOD Single : B 46 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 64:sc= -3.03! USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0615 USER MOD Single : B 66 GLN : amide:sc= -0.0365 K(o=-0.037,f=-1.1) USER MOD Single : B 70 ASN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -68.264 1.288 -1.904 1.00 52.69 N ATOM 2 CA MET A 1 -68.106 0.209 -2.902 1.00 52.68 C ATOM 3 C MET A 1 -67.701 0.787 -4.249 1.00 52.43 C ATOM 4 O MET A 1 -68.272 1.786 -4.694 1.00 52.55 O ATOM 5 CB MET A 1 -69.429 -0.548 -3.025 1.00 52.98 C ATOM 6 CG MET A 1 -69.248 -2.040 -3.247 1.00 53.17 C ATOM 7 SD MET A 1 -70.817 -2.925 -3.337 1.00 53.83 S ATOM 8 CE MET A 1 -70.247 -4.619 -3.429 1.00 54.20 C ATOM 0 H1 MET A 1 -68.541 0.877 -0.989 1.00 52.69 H new ATOM 0 H2 MET A 1 -67.363 1.796 -1.797 1.00 52.69 H new ATOM 0 H3 MET A 1 -69.000 1.951 -2.223 1.00 52.69 H new ATOM 0 HA MET A 1 -67.321 -0.475 -2.578 1.00 52.68 H new ATOM 0 HB2 MET A 1 -70.015 -0.391 -2.120 1.00 52.98 H new ATOM 0 HB3 MET A 1 -70.003 -0.131 -3.853 1.00 52.98 H new ATOM 0 HG2 MET A 1 -68.691 -2.201 -4.170 1.00 53.17 H new ATOM 0 HG3 MET A 1 -68.648 -2.454 -2.436 1.00 53.17 H new ATOM 0 HE1 MET A 1 -71.105 -5.289 -3.490 1.00 54.20 H new ATOM 0 HE2 MET A 1 -69.624 -4.746 -4.315 1.00 54.20 H new ATOM 0 HE3 MET A 1 -69.664 -4.856 -2.539 1.00 54.20 H new ATOM 20 N SER A 2 -66.672 0.192 -4.855 1.00 52.13 N ATOM 21 CA SER A 2 -66.117 0.656 -6.129 1.00 51.92 C ATOM 22 C SER A 2 -65.385 1.990 -5.953 1.00 51.30 C ATOM 23 O SER A 2 -64.159 2.016 -5.840 1.00 50.91 O ATOM 24 CB SER A 2 -67.213 0.755 -7.197 1.00 51.94 C ATOM 25 OG SER A 2 -67.968 -0.449 -7.263 1.00 52.25 O ATOM 0 H SER A 2 -66.198 -0.628 -4.475 1.00 52.13 H new ATOM 0 HA SER A 2 -65.387 -0.078 -6.471 1.00 51.92 H new ATOM 0 HB2 SER A 2 -67.874 1.591 -6.969 1.00 51.94 H new ATOM 0 HB3 SER A 2 -66.763 0.960 -8.168 1.00 51.94 H new ATOM 0 HG SER A 2 -68.662 -0.363 -7.949 1.00 52.25 H new ATOM 31 N LEU A 3 -66.133 3.077 -5.812 1.00 51.24 N ATOM 32 CA LEU A 3 -65.539 4.372 -5.520 1.00 50.73 C ATOM 33 C LEU A 3 -65.577 4.630 -4.023 1.00 49.93 C ATOM 34 O LEU A 3 -66.652 4.705 -3.422 1.00 49.72 O ATOM 35 CB LEU A 3 -66.270 5.490 -6.261 1.00 50.73 C ATOM 36 CG LEU A 3 -65.381 6.377 -7.134 1.00 51.38 C ATOM 37 CD1 LEU A 3 -66.217 7.128 -8.155 1.00 51.29 C ATOM 38 CD2 LEU A 3 -64.594 7.355 -6.275 1.00 51.81 C ATOM 0 H LEU A 3 -67.150 3.086 -5.895 1.00 51.24 H new ATOM 0 HA LEU A 3 -64.503 4.359 -5.860 1.00 50.73 H new ATOM 0 HB2 LEU A 3 -67.042 5.045 -6.889 1.00 50.73 H new ATOM 0 HB3 LEU A 3 -66.778 6.119 -5.529 1.00 50.73 H new ATOM 0 HG LEU A 3 -64.676 5.737 -7.665 1.00 51.38 H new ATOM 0 HD11 LEU A 3 -65.568 7.754 -8.767 1.00 51.29 H new ATOM 0 HD12 LEU A 3 -66.740 6.415 -8.792 1.00 51.29 H new ATOM 0 HD13 LEU A 3 -66.944 7.755 -7.639 1.00 51.29 H new ATOM 0 HD21 LEU A 3 -63.967 7.978 -6.914 1.00 51.81 H new ATOM 0 HD22 LEU A 3 -65.285 7.987 -5.717 1.00 51.81 H new ATOM 0 HD23 LEU A 3 -63.965 6.802 -5.577 1.00 51.81 H new ATOM 50 N GLU A 4 -64.408 4.765 -3.425 1.00 49.54 N ATOM 51 CA GLU A 4 -64.305 5.009 -1.997 1.00 48.79 C ATOM 52 C GLU A 4 -64.440 6.499 -1.701 1.00 48.08 C ATOM 53 O GLU A 4 -64.160 7.335 -2.560 1.00 47.64 O ATOM 54 CB GLU A 4 -62.961 4.497 -1.471 1.00 48.81 C ATOM 55 CG GLU A 4 -63.084 3.399 -0.427 1.00 49.11 C ATOM 56 CD GLU A 4 -64.177 3.669 0.586 1.00 49.00 C ATOM 57 OE1 GLU A 4 -64.145 4.738 1.235 1.00 48.89 O ATOM 58 OE2 GLU A 4 -65.082 2.821 0.728 1.00 49.07 O ATOM 0 H GLU A 4 -63.512 4.710 -3.908 1.00 49.54 H new ATOM 0 HA GLU A 4 -65.113 4.475 -1.496 1.00 48.79 H new ATOM 0 HB2 GLU A 4 -62.373 4.123 -2.309 1.00 48.81 H new ATOM 0 HB3 GLU A 4 -62.408 5.333 -1.041 1.00 48.81 H new ATOM 0 HG2 GLU A 4 -63.284 2.451 -0.926 1.00 49.11 H new ATOM 0 HG3 GLU A 4 -62.132 3.291 0.093 1.00 49.11 H new ATOM 65 N LYS A 5 -64.765 6.820 -0.458 1.00 48.00 N ATOM 66 CA LYS A 5 -64.804 8.206 -0.016 1.00 47.39 C ATOM 67 C LYS A 5 -63.383 8.697 0.205 1.00 46.83 C ATOM 68 O LYS A 5 -62.995 9.765 -0.271 1.00 46.53 O ATOM 69 CB LYS A 5 -65.613 8.338 1.272 1.00 47.60 C ATOM 70 CG LYS A 5 -67.098 8.562 1.039 1.00 48.09 C ATOM 71 CD LYS A 5 -67.767 9.159 2.267 1.00 48.48 C ATOM 72 CE LYS A 5 -68.425 8.088 3.122 1.00 49.07 C ATOM 73 NZ LYS A 5 -67.465 7.457 4.063 1.00 49.26 N ATOM 0 H LYS A 5 -65.006 6.140 0.263 1.00 48.00 H new ATOM 0 HA LYS A 5 -65.287 8.813 -0.782 1.00 47.39 H new ATOM 0 HB2 LYS A 5 -65.480 7.436 1.869 1.00 47.60 H new ATOM 0 HB3 LYS A 5 -65.216 9.168 1.857 1.00 47.60 H new ATOM 0 HG2 LYS A 5 -67.238 9.227 0.187 1.00 48.09 H new ATOM 0 HG3 LYS A 5 -67.575 7.615 0.787 1.00 48.09 H new ATOM 0 HD2 LYS A 5 -67.027 9.695 2.861 1.00 48.48 H new ATOM 0 HD3 LYS A 5 -68.515 9.888 1.956 1.00 48.48 H new ATOM 0 HE2 LYS A 5 -69.247 8.529 3.685 1.00 49.07 H new ATOM 0 HE3 LYS A 5 -68.855 7.323 2.476 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 -67.979 6.833 4.717 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 -66.769 6.900 3.527 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 -66.973 8.196 4.605 1.00 49.26 H new ATOM 87 N ALA A 6 -62.572 7.824 0.782 1.00 46.75 N ATOM 88 CA ALA A 6 -61.153 8.079 0.924 1.00 46.29 C ATOM 89 C ALA A 6 -60.397 7.410 -0.215 1.00 45.95 C ATOM 90 O ALA A 6 -60.259 6.186 -0.249 1.00 46.32 O ATOM 91 CB ALA A 6 -60.655 7.583 2.272 1.00 46.58 C ATOM 0 H ALA A 6 -62.878 6.928 1.161 1.00 46.75 H new ATOM 0 HA ALA A 6 -60.976 9.154 0.878 1.00 46.29 H new ATOM 0 HB1 ALA A 6 -59.587 7.783 2.361 1.00 46.58 H new ATOM 0 HB2 ALA A 6 -61.189 8.100 3.070 1.00 46.58 H new ATOM 0 HB3 ALA A 6 -60.831 6.510 2.353 1.00 46.58 H new ATOM 97 N HIS A 7 -59.967 8.213 -1.174 1.00 45.30 N ATOM 98 CA HIS A 7 -59.256 7.708 -2.340 1.00 44.97 C ATOM 99 C HIS A 7 -58.162 8.685 -2.749 1.00 44.39 C ATOM 100 O HIS A 7 -58.434 9.838 -3.090 1.00 43.96 O ATOM 101 CB HIS A 7 -60.220 7.440 -3.514 1.00 44.96 C ATOM 102 CG HIS A 7 -61.032 8.628 -3.954 1.00 45.01 C ATOM 103 ND1 HIS A 7 -61.859 9.449 -3.262 1.00 44.94 N flip ATOM 104 CD2 HIS A 7 -61.054 9.083 -5.256 1.00 45.18 C flip ATOM 105 CE1 HIS A 7 -62.351 10.370 -4.146 1.00 45.06 C flip ATOM 106 NE2 HIS A 7 -61.854 10.130 -5.342 1.00 45.21 N flip ATOM 0 H HIS A 7 -60.098 9.224 -1.169 1.00 45.30 H new ATOM 0 HA HIS A 7 -58.795 6.757 -2.073 1.00 44.97 H new ATOM 0 HB2 HIS A 7 -59.641 7.079 -4.364 1.00 44.96 H new ATOM 0 HB3 HIS A 7 -60.902 6.638 -3.229 1.00 44.96 H new ATOM 0 HD1 HIS A 7 -62.075 9.391 -2.267 1.00 44.94 H new ATOM 0 HD2 HIS A 7 -60.503 8.650 -6.078 1.00 45.18 H new ATOM 0 HE1 HIS A 7 -63.038 11.167 -3.902 1.00 45.06 H new ATOM 115 N THR A 8 -56.926 8.254 -2.593 1.00 44.44 N ATOM 116 CA THR A 8 -55.781 9.112 -2.833 1.00 43.96 C ATOM 117 C THR A 8 -55.264 8.958 -4.255 1.00 43.67 C ATOM 118 O THR A 8 -54.669 9.884 -4.806 1.00 43.66 O ATOM 119 CB THR A 8 -54.652 8.789 -1.841 1.00 44.29 C ATOM 120 OG1 THR A 8 -55.186 8.032 -0.746 1.00 44.86 O ATOM 121 CG2 THR A 8 -54.007 10.059 -1.314 1.00 43.97 C ATOM 0 H THR A 8 -56.687 7.307 -2.299 1.00 44.44 H new ATOM 0 HA THR A 8 -56.107 10.143 -2.691 1.00 43.96 H new ATOM 0 HB THR A 8 -53.889 8.209 -2.361 1.00 44.29 H new ATOM 0 HG1 THR A 8 -54.468 7.823 -0.112 1.00 44.86 H new ATOM 0 HG21 THR A 8 -53.212 9.800 -0.615 1.00 43.97 H new ATOM 0 HG22 THR A 8 -53.589 10.626 -2.145 1.00 43.97 H new ATOM 0 HG23 THR A 8 -54.757 10.663 -0.803 1.00 43.97 H new ATOM 129 N SER A 9 -55.510 7.790 -4.844 1.00 43.50 N ATOM 130 CA SER A 9 -55.069 7.497 -6.204 1.00 43.27 C ATOM 131 C SER A 9 -53.552 7.685 -6.333 1.00 42.89 C ATOM 132 O SER A 9 -52.809 7.480 -5.367 1.00 42.78 O ATOM 133 CB SER A 9 -55.822 8.386 -7.205 1.00 43.30 C ATOM 134 OG SER A 9 -57.110 8.733 -6.718 1.00 43.56 O ATOM 0 H SER A 9 -56.016 7.026 -4.396 1.00 43.50 H new ATOM 0 HA SER A 9 -55.296 6.455 -6.430 1.00 43.27 H new ATOM 0 HB2 SER A 9 -55.246 9.292 -7.395 1.00 43.30 H new ATOM 0 HB3 SER A 9 -55.919 7.864 -8.157 1.00 43.30 H new ATOM 0 HG SER A 9 -57.566 9.300 -7.374 1.00 43.56 H new ATOM 140 N VAL A 10 -53.095 8.114 -7.503 1.00 42.75 N ATOM 141 CA VAL A 10 -51.681 8.386 -7.711 1.00 42.43 C ATOM 142 C VAL A 10 -51.383 9.854 -7.447 1.00 41.60 C ATOM 143 O VAL A 10 -51.976 10.740 -8.065 1.00 41.43 O ATOM 144 CB VAL A 10 -51.213 8.018 -9.136 1.00 42.78 C ATOM 145 CG1 VAL A 10 -50.695 6.590 -9.171 1.00 43.09 C ATOM 146 CG2 VAL A 10 -52.334 8.210 -10.148 1.00 43.59 C ATOM 0 H VAL A 10 -53.683 8.280 -8.320 1.00 42.75 H new ATOM 0 HA VAL A 10 -51.132 7.760 -7.008 1.00 42.43 H new ATOM 0 HB VAL A 10 -50.399 8.689 -9.410 1.00 42.78 H new ATOM 0 HG11 VAL A 10 -50.369 6.346 -10.182 1.00 43.09 H new ATOM 0 HG12 VAL A 10 -49.854 6.491 -8.485 1.00 43.09 H new ATOM 0 HG13 VAL A 10 -51.490 5.907 -8.871 1.00 43.09 H new ATOM 0 HG21 VAL A 10 -51.976 7.943 -11.142 1.00 43.59 H new ATOM 0 HG22 VAL A 10 -53.177 7.572 -9.883 1.00 43.59 H new ATOM 0 HG23 VAL A 10 -52.653 9.252 -10.144 1.00 43.59 H new ATOM 156 N LYS A 11 -50.501 10.109 -6.496 1.00 41.14 N ATOM 157 CA LYS A 11 -50.147 11.470 -6.131 1.00 40.38 C ATOM 158 C LYS A 11 -48.638 11.650 -6.165 1.00 39.65 C ATOM 159 O LYS A 11 -47.885 10.707 -5.917 1.00 39.62 O ATOM 160 CB LYS A 11 -50.679 11.811 -4.736 1.00 40.21 C ATOM 161 CG LYS A 11 -52.196 11.874 -4.655 1.00 40.53 C ATOM 162 CD LYS A 11 -52.755 13.060 -5.425 1.00 40.45 C ATOM 163 CE LYS A 11 -54.127 12.749 -6.000 1.00 40.17 C ATOM 164 NZ LYS A 11 -55.224 13.164 -5.085 1.00 40.27 N ATOM 0 H LYS A 11 -50.015 9.389 -5.961 1.00 41.14 H new ATOM 0 HA LYS A 11 -50.603 12.146 -6.854 1.00 40.38 H new ATOM 0 HB2 LYS A 11 -50.318 11.066 -4.028 1.00 40.21 H new ATOM 0 HB3 LYS A 11 -50.268 12.772 -4.426 1.00 40.21 H new ATOM 0 HG2 LYS A 11 -52.620 10.951 -5.052 1.00 40.53 H new ATOM 0 HG3 LYS A 11 -52.502 11.942 -3.611 1.00 40.53 H new ATOM 0 HD2 LYS A 11 -52.823 13.925 -4.765 1.00 40.45 H new ATOM 0 HD3 LYS A 11 -52.072 13.327 -6.232 1.00 40.45 H new ATOM 0 HE2 LYS A 11 -54.242 13.257 -6.957 1.00 40.17 H new ATOM 0 HE3 LYS A 11 -54.204 11.679 -6.196 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 -56.142 12.933 -5.516 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 -55.130 12.660 -4.180 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 -55.168 14.189 -4.918 1.00 40.27 H new ATOM 178 N LYS A 12 -48.202 12.858 -6.476 1.00 39.13 N ATOM 179 CA LYS A 12 -46.783 13.171 -6.525 1.00 38.46 C ATOM 180 C LYS A 12 -46.330 13.773 -5.201 1.00 37.88 C ATOM 181 O LYS A 12 -47.120 14.411 -4.500 1.00 37.85 O ATOM 182 CB LYS A 12 -46.496 14.149 -7.662 1.00 38.37 C ATOM 183 CG LYS A 12 -45.654 13.560 -8.778 1.00 38.40 C ATOM 184 CD LYS A 12 -45.657 14.447 -10.010 1.00 38.58 C ATOM 185 CE LYS A 12 -46.723 14.013 -11.003 1.00 38.68 C ATOM 186 NZ LYS A 12 -47.137 15.125 -11.895 1.00 38.69 N ATOM 0 H LYS A 12 -48.814 13.643 -6.700 1.00 39.13 H new ATOM 0 HA LYS A 12 -46.231 12.248 -6.703 1.00 38.46 H new ATOM 0 HB2 LYS A 12 -47.442 14.496 -8.078 1.00 38.37 H new ATOM 0 HB3 LYS A 12 -45.986 15.023 -7.257 1.00 38.37 H new ATOM 0 HG2 LYS A 12 -44.630 13.425 -8.429 1.00 38.40 H new ATOM 0 HG3 LYS A 12 -46.035 12.573 -9.039 1.00 38.40 H new ATOM 0 HD2 LYS A 12 -45.832 15.482 -9.715 1.00 38.58 H new ATOM 0 HD3 LYS A 12 -44.678 14.413 -10.487 1.00 38.58 H new ATOM 0 HE2 LYS A 12 -46.343 13.187 -11.605 1.00 38.68 H new ATOM 0 HE3 LYS A 12 -47.592 13.639 -10.462 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 -47.865 14.787 -12.556 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 -47.523 15.903 -11.323 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 -46.313 15.465 -12.431 1.00 38.69 H new ATOM 200 N MET A 13 -45.064 13.575 -4.867 1.00 37.50 N ATOM 201 CA MET A 13 -44.502 14.123 -3.639 1.00 36.98 C ATOM 202 C MET A 13 -43.253 14.932 -3.956 1.00 36.15 C ATOM 203 O MET A 13 -42.160 14.641 -3.468 1.00 35.91 O ATOM 204 CB MET A 13 -44.182 13.004 -2.646 1.00 37.36 C ATOM 205 CG MET A 13 -44.438 13.388 -1.197 1.00 37.17 C ATOM 206 SD MET A 13 -46.081 12.906 -0.629 1.00 37.20 S ATOM 207 CE MET A 13 -46.976 14.445 -0.836 1.00 36.92 C ATOM 0 H MET A 13 -44.404 13.038 -5.429 1.00 37.50 H new ATOM 0 HA MET A 13 -45.239 14.781 -3.179 1.00 36.98 H new ATOM 0 HB2 MET A 13 -44.781 12.128 -2.893 1.00 37.36 H new ATOM 0 HB3 MET A 13 -43.136 12.717 -2.758 1.00 37.36 H new ATOM 0 HG2 MET A 13 -43.686 12.918 -0.563 1.00 37.17 H new ATOM 0 HG3 MET A 13 -44.321 14.466 -1.085 1.00 37.17 H new ATOM 0 HE1 MET A 13 -47.918 14.394 -0.290 1.00 36.92 H new ATOM 0 HE2 MET A 13 -46.376 15.269 -0.450 1.00 36.92 H new ATOM 0 HE3 MET A 13 -47.179 14.608 -1.894 1.00 36.92 H new ATOM 217 N THR A 14 -43.413 15.912 -4.827 1.00 35.77 N ATOM 218 CA THR A 14 -42.306 16.747 -5.257 1.00 35.01 C ATOM 219 C THR A 14 -41.950 17.777 -4.186 1.00 34.25 C ATOM 220 O THR A 14 -42.833 18.416 -3.608 1.00 34.26 O ATOM 221 CB THR A 14 -42.656 17.459 -6.574 1.00 35.04 C ATOM 222 OG1 THR A 14 -43.735 16.762 -7.218 1.00 35.67 O ATOM 223 CG2 THR A 14 -41.454 17.514 -7.506 1.00 35.17 C ATOM 0 H THR A 14 -44.308 16.151 -5.254 1.00 35.77 H new ATOM 0 HA THR A 14 -41.440 16.104 -5.418 1.00 35.01 H new ATOM 0 HB THR A 14 -42.955 18.482 -6.345 1.00 35.04 H new ATOM 0 HG1 THR A 14 -44.589 17.163 -6.952 1.00 35.67 H new ATOM 0 HG21 THR A 14 -41.732 18.023 -8.429 1.00 35.17 H new ATOM 0 HG22 THR A 14 -40.643 18.058 -7.022 1.00 35.17 H new ATOM 0 HG23 THR A 14 -41.125 16.501 -7.736 1.00 35.17 H new ATOM 231 N PHE A 15 -40.662 17.894 -3.892 1.00 33.64 N ATOM 232 CA PHE A 15 -40.188 18.808 -2.860 1.00 32.92 C ATOM 233 C PHE A 15 -40.312 20.246 -3.340 1.00 32.10 C ATOM 234 O PHE A 15 -40.643 21.150 -2.571 1.00 31.56 O ATOM 235 CB PHE A 15 -38.734 18.475 -2.499 1.00 32.71 C ATOM 236 CG PHE A 15 -38.012 19.551 -1.736 1.00 32.75 C ATOM 237 CD1 PHE A 15 -38.331 19.818 -0.416 1.00 32.99 C ATOM 238 CD2 PHE A 15 -37.002 20.281 -2.339 1.00 32.63 C ATOM 239 CE1 PHE A 15 -37.661 20.800 0.287 1.00 33.10 C ATOM 240 CE2 PHE A 15 -36.327 21.262 -1.641 1.00 32.74 C ATOM 241 CZ PHE A 15 -36.657 21.523 -0.325 1.00 32.99 C ATOM 0 H PHE A 15 -39.923 17.365 -4.356 1.00 33.64 H new ATOM 0 HA PHE A 15 -40.801 18.693 -1.966 1.00 32.92 H new ATOM 0 HB2 PHE A 15 -38.722 17.559 -1.908 1.00 32.71 H new ATOM 0 HB3 PHE A 15 -38.184 18.269 -3.417 1.00 32.71 H new ATOM 0 HD1 PHE A 15 -39.112 19.252 0.070 1.00 32.99 H new ATOM 0 HD2 PHE A 15 -36.739 20.081 -3.367 1.00 32.63 H new ATOM 0 HE1 PHE A 15 -37.923 21.002 1.315 1.00 33.10 H new ATOM 0 HE2 PHE A 15 -35.542 21.825 -2.123 1.00 32.74 H new ATOM 0 HZ PHE A 15 -36.131 22.290 0.223 1.00 32.99 H new ATOM 251 N GLY A 16 -40.064 20.442 -4.624 1.00 32.07 N ATOM 252 CA GLY A 16 -40.162 21.762 -5.205 1.00 31.38 C ATOM 253 C GLY A 16 -39.062 22.019 -6.207 1.00 30.74 C ATOM 254 O GLY A 16 -39.321 22.445 -7.334 1.00 30.29 O ATOM 0 H GLY A 16 -39.795 19.706 -5.277 1.00 32.07 H new ATOM 0 HA2 GLY A 16 -41.131 21.873 -5.693 1.00 31.38 H new ATOM 0 HA3 GLY A 16 -40.115 22.511 -4.415 1.00 31.38 H new ATOM 258 N GLU A 17 -37.837 21.703 -5.821 1.00 30.74 N ATOM 259 CA GLU A 17 -36.694 21.855 -6.708 1.00 30.20 C ATOM 260 C GLU A 17 -35.562 20.932 -6.278 1.00 29.71 C ATOM 261 O GLU A 17 -35.325 20.741 -5.084 1.00 29.63 O ATOM 262 CB GLU A 17 -36.208 23.308 -6.711 1.00 30.52 C ATOM 263 CG GLU A 17 -36.286 23.971 -8.078 1.00 30.95 C ATOM 264 CD GLU A 17 -35.152 24.945 -8.320 1.00 31.17 C ATOM 265 OE1 GLU A 17 -35.265 26.112 -7.897 1.00 31.28 O ATOM 266 OE2 GLU A 17 -34.146 24.552 -8.942 1.00 31.29 O ATOM 0 H GLU A 17 -37.607 21.338 -4.896 1.00 30.74 H new ATOM 0 HA GLU A 17 -37.006 21.586 -7.717 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -36.804 23.883 -6.002 1.00 30.52 H new ATOM 0 HB3 GLU A 17 -35.177 23.339 -6.359 1.00 30.52 H new ATOM 0 HG2 GLU A 17 -36.271 23.203 -8.851 1.00 30.95 H new ATOM 0 HG3 GLU A 17 -37.237 24.496 -8.169 1.00 30.95 H new ATOM 273 N ASN A 18 -34.804 20.452 -7.253 1.00 29.45 N ATOM 274 CA ASN A 18 -33.608 19.669 -6.979 1.00 29.03 C ATOM 275 C ASN A 18 -32.525 20.608 -6.470 1.00 28.24 C ATOM 276 O ASN A 18 -31.860 20.329 -5.470 1.00 28.03 O ATOM 277 CB ASN A 18 -33.146 18.942 -8.248 1.00 29.10 C ATOM 278 CG ASN A 18 -31.822 18.213 -8.082 1.00 28.93 C ATOM 279 OD1 ASN A 18 -31.471 17.760 -6.991 1.00 28.81 O ATOM 280 ND2 ASN A 18 -31.083 18.080 -9.172 1.00 29.02 N ATOM 0 H ASN A 18 -34.997 20.592 -8.245 1.00 29.45 H new ATOM 0 HA ASN A 18 -33.821 18.913 -6.223 1.00 29.03 H new ATOM 0 HB2 ASN A 18 -33.911 18.225 -8.545 1.00 29.10 H new ATOM 0 HB3 ASN A 18 -33.054 19.665 -9.058 1.00 29.10 H new ATOM 0 HD21 ASN A 18 -30.190 17.589 -9.126 1.00 29.02 H new ATOM 0 HD22 ASN A 18 -31.406 18.468 -10.058 1.00 29.02 H new ATOM 287 N ARG A 19 -32.479 21.787 -7.087 1.00 27.89 N ATOM 288 CA ARG A 19 -31.595 22.866 -6.667 1.00 27.19 C ATOM 289 C ARG A 19 -30.148 22.398 -6.598 1.00 26.47 C ATOM 290 O ARG A 19 -29.510 22.459 -5.544 1.00 26.25 O ATOM 291 CB ARG A 19 -32.040 23.432 -5.316 1.00 27.23 C ATOM 292 CG ARG A 19 -31.789 24.922 -5.177 1.00 27.00 C ATOM 293 CD ARG A 19 -32.378 25.479 -3.890 1.00 27.20 C ATOM 294 NE ARG A 19 -31.413 26.302 -3.160 1.00 27.45 N ATOM 295 CZ ARG A 19 -30.942 27.476 -3.595 1.00 27.94 C ATOM 296 NH1 ARG A 19 -31.459 28.039 -4.683 1.00 28.23 N ATOM 297 NH2 ARG A 19 -29.988 28.101 -2.913 1.00 28.23 N ATOM 0 H ARG A 19 -33.057 22.019 -7.895 1.00 27.89 H new ATOM 0 HA ARG A 19 -31.657 23.658 -7.413 1.00 27.19 H new ATOM 0 HB2 ARG A 19 -33.104 23.236 -5.180 1.00 27.23 H new ATOM 0 HB3 ARG A 19 -31.514 22.906 -4.519 1.00 27.23 H new ATOM 0 HG2 ARG A 19 -30.716 25.113 -5.198 1.00 27.00 H new ATOM 0 HG3 ARG A 19 -32.222 25.444 -6.030 1.00 27.00 H new ATOM 0 HD2 ARG A 19 -33.261 26.075 -4.123 1.00 27.20 H new ATOM 0 HD3 ARG A 19 -32.707 24.656 -3.255 1.00 27.20 H new ATOM 0 HE ARG A 19 -31.077 25.958 -2.260 1.00 27.45 H new ATOM 0 HH11 ARG A 19 -32.215 27.576 -5.187 1.00 28.23 H new ATOM 0 HH12 ARG A 19 -31.099 28.934 -5.014 1.00 28.23 H new ATOM 0 HH21 ARG A 19 -29.616 27.685 -2.059 1.00 28.23 H new ATOM 0 HH22 ARG A 19 -29.628 28.996 -3.243 1.00 28.23 H new ATOM 311 N ASP A 20 -29.623 21.969 -7.735 1.00 26.17 N ATOM 312 CA ASP A 20 -28.237 21.534 -7.826 1.00 25.54 C ATOM 313 C ASP A 20 -27.318 22.744 -7.962 1.00 24.65 C ATOM 314 O ASP A 20 -26.671 22.943 -8.992 1.00 24.53 O ATOM 315 CB ASP A 20 -28.049 20.587 -9.012 1.00 26.03 C ATOM 316 CG ASP A 20 -26.979 19.550 -8.751 1.00 25.70 C ATOM 317 OD1 ASP A 20 -27.174 18.700 -7.854 1.00 25.72 O ATOM 318 OD2 ASP A 20 -25.939 19.572 -9.444 1.00 25.48 O ATOM 0 H ASP A 20 -30.139 21.912 -8.613 1.00 26.17 H new ATOM 0 HA ASP A 20 -27.979 20.996 -6.914 1.00 25.54 H new ATOM 0 HB2 ASP A 20 -28.993 20.086 -9.228 1.00 26.03 H new ATOM 0 HB3 ASP A 20 -27.784 21.165 -9.898 1.00 26.03 H new ATOM 323 N LEU A 21 -27.355 23.605 -6.957 1.00 24.13 N ATOM 324 CA LEU A 21 -26.621 24.861 -6.987 1.00 23.35 C ATOM 325 C LEU A 21 -25.574 24.909 -5.881 1.00 22.33 C ATOM 326 O LEU A 21 -24.990 25.957 -5.614 1.00 21.99 O ATOM 327 CB LEU A 21 -27.595 26.030 -6.829 1.00 23.63 C ATOM 328 CG LEU A 21 -27.311 27.245 -7.716 1.00 23.70 C ATOM 329 CD1 LEU A 21 -28.368 27.369 -8.804 1.00 24.80 C ATOM 330 CD2 LEU A 21 -27.255 28.511 -6.874 1.00 23.44 C ATOM 0 H LEU A 21 -27.891 23.455 -6.102 1.00 24.13 H new ATOM 0 HA LEU A 21 -26.109 24.937 -7.946 1.00 23.35 H new ATOM 0 HB2 LEU A 21 -28.602 25.673 -7.043 1.00 23.63 H new ATOM 0 HB3 LEU A 21 -27.585 26.351 -5.787 1.00 23.63 H new ATOM 0 HG LEU A 21 -26.342 27.107 -8.196 1.00 23.70 H new ATOM 0 HD11 LEU A 21 -28.151 28.238 -9.425 1.00 24.80 H new ATOM 0 HD12 LEU A 21 -28.362 26.471 -9.421 1.00 24.80 H new ATOM 0 HD13 LEU A 21 -29.350 27.487 -8.346 1.00 24.80 H new ATOM 0 HD21 LEU A 21 -27.052 29.367 -7.517 1.00 23.44 H new ATOM 0 HD22 LEU A 21 -28.210 28.655 -6.369 1.00 23.44 H new ATOM 0 HD23 LEU A 21 -26.462 28.419 -6.132 1.00 23.44 H new ATOM 342 N GLU A 22 -25.359 23.780 -5.227 1.00 21.92 N ATOM 343 CA GLU A 22 -24.403 23.711 -4.136 1.00 21.00 C ATOM 344 C GLU A 22 -23.044 23.239 -4.632 1.00 20.38 C ATOM 345 O GLU A 22 -22.953 22.476 -5.595 1.00 20.63 O ATOM 346 CB GLU A 22 -24.919 22.781 -3.039 1.00 21.11 C ATOM 347 CG GLU A 22 -25.200 23.498 -1.732 1.00 21.38 C ATOM 348 CD GLU A 22 -23.930 23.889 -1.012 1.00 21.67 C ATOM 349 OE1 GLU A 22 -23.241 24.819 -1.473 1.00 21.81 O ATOM 350 OE2 GLU A 22 -23.615 23.263 0.022 1.00 21.86 O ATOM 0 H GLU A 22 -25.833 22.900 -5.432 1.00 21.92 H new ATOM 0 HA GLU A 22 -24.285 24.713 -3.723 1.00 21.00 H new ATOM 0 HB2 GLU A 22 -25.832 22.295 -3.383 1.00 21.11 H new ATOM 0 HB3 GLU A 22 -24.186 21.994 -2.864 1.00 21.11 H new ATOM 0 HG2 GLU A 22 -25.794 24.391 -1.929 1.00 21.38 H new ATOM 0 HG3 GLU A 22 -25.798 22.854 -1.087 1.00 21.38 H new ATOM 357 N ARG A 23 -21.990 23.707 -3.982 1.00 19.67 N ATOM 358 CA ARG A 23 -20.632 23.343 -4.361 1.00 19.08 C ATOM 359 C ARG A 23 -19.753 23.221 -3.123 1.00 18.24 C ATOM 360 O ARG A 23 -19.981 23.902 -2.125 1.00 17.96 O ATOM 361 CB ARG A 23 -20.045 24.389 -5.313 1.00 19.09 C ATOM 362 CG ARG A 23 -19.924 23.911 -6.749 1.00 19.33 C ATOM 363 CD ARG A 23 -21.034 24.477 -7.619 1.00 19.75 C ATOM 364 NE ARG A 23 -20.973 25.936 -7.709 1.00 20.13 N ATOM 365 CZ ARG A 23 -22.016 26.712 -7.998 1.00 20.90 C ATOM 366 NH1 ARG A 23 -23.191 26.173 -8.299 1.00 21.36 N ATOM 367 NH2 ARG A 23 -21.877 28.031 -8.016 1.00 21.30 N ATOM 0 H ARG A 23 -22.049 24.342 -3.186 1.00 19.67 H new ATOM 0 HA ARG A 23 -20.663 22.380 -4.871 1.00 19.08 H new ATOM 0 HB2 ARG A 23 -20.671 25.281 -5.288 1.00 19.09 H new ATOM 0 HB3 ARG A 23 -19.059 24.682 -4.953 1.00 19.09 H new ATOM 0 HG2 ARG A 23 -18.956 24.209 -7.152 1.00 19.33 H new ATOM 0 HG3 ARG A 23 -19.959 22.822 -6.775 1.00 19.33 H new ATOM 0 HD2 ARG A 23 -20.964 24.049 -8.619 1.00 19.75 H new ATOM 0 HD3 ARG A 23 -22.000 24.179 -7.212 1.00 19.75 H new ATOM 0 HE ARG A 23 -20.074 26.388 -7.540 1.00 20.13 H new ATOM 0 HH11 ARG A 23 -23.299 25.159 -8.310 1.00 21.36 H new ATOM 0 HH12 ARG A 23 -23.986 26.773 -8.519 1.00 21.36 H new ATOM 0 HH21 ARG A 23 -20.971 28.451 -7.808 1.00 21.30 H new ATOM 0 HH22 ARG A 23 -22.676 28.625 -8.237 1.00 21.30 H new ATOM 381 N VAL A 24 -18.768 22.339 -3.181 1.00 17.96 N ATOM 382 CA VAL A 24 -17.859 22.134 -2.061 1.00 17.23 C ATOM 383 C VAL A 24 -16.742 23.172 -2.086 1.00 16.44 C ATOM 384 O VAL A 24 -15.641 22.912 -2.575 1.00 16.45 O ATOM 385 CB VAL A 24 -17.246 20.716 -2.072 1.00 17.51 C ATOM 386 CG1 VAL A 24 -16.511 20.436 -0.771 1.00 16.96 C ATOM 387 CG2 VAL A 24 -18.318 19.667 -2.312 1.00 18.40 C ATOM 0 H VAL A 24 -18.576 21.752 -3.993 1.00 17.96 H new ATOM 0 HA VAL A 24 -18.442 22.245 -1.147 1.00 17.23 H new ATOM 0 HB VAL A 24 -16.527 20.666 -2.890 1.00 17.51 H new ATOM 0 HG11 VAL A 24 -16.088 19.432 -0.801 1.00 16.96 H new ATOM 0 HG12 VAL A 24 -15.710 21.164 -0.642 1.00 16.96 H new ATOM 0 HG13 VAL A 24 -17.208 20.511 0.064 1.00 16.96 H new ATOM 0 HG21 VAL A 24 -17.863 18.676 -2.316 1.00 18.40 H new ATOM 0 HG22 VAL A 24 -19.064 19.721 -1.519 1.00 18.40 H new ATOM 0 HG23 VAL A 24 -18.797 19.850 -3.274 1.00 18.40 H new ATOM 397 N VAL A 25 -17.043 24.357 -1.585 1.00 15.87 N ATOM 398 CA VAL A 25 -16.072 25.436 -1.543 1.00 15.18 C ATOM 399 C VAL A 25 -15.240 25.332 -0.271 1.00 14.49 C ATOM 400 O VAL A 25 -14.031 25.574 -0.277 1.00 14.22 O ATOM 401 CB VAL A 25 -16.767 26.817 -1.608 1.00 15.12 C ATOM 402 CG1 VAL A 25 -15.758 27.947 -1.467 1.00 15.22 C ATOM 403 CG2 VAL A 25 -17.549 26.959 -2.907 1.00 15.32 C ATOM 0 H VAL A 25 -17.957 24.597 -1.200 1.00 15.87 H new ATOM 0 HA VAL A 25 -15.421 25.344 -2.413 1.00 15.18 H new ATOM 0 HB VAL A 25 -17.464 26.883 -0.772 1.00 15.12 H new ATOM 0 HG11 VAL A 25 -16.275 28.905 -1.516 1.00 15.22 H new ATOM 0 HG12 VAL A 25 -15.246 27.860 -0.509 1.00 15.22 H new ATOM 0 HG13 VAL A 25 -15.029 27.886 -2.275 1.00 15.22 H new ATOM 0 HG21 VAL A 25 -18.032 27.936 -2.936 1.00 15.32 H new ATOM 0 HG22 VAL A 25 -16.869 26.865 -3.753 1.00 15.32 H new ATOM 0 HG23 VAL A 25 -18.307 26.178 -2.962 1.00 15.32 H new ATOM 413 N THR A 26 -15.884 24.908 0.807 1.00 14.33 N ATOM 414 CA THR A 26 -15.218 24.728 2.087 1.00 13.78 C ATOM 415 C THR A 26 -14.488 23.387 2.144 1.00 13.06 C ATOM 416 O THR A 26 -14.794 22.528 2.974 1.00 13.24 O ATOM 417 CB THR A 26 -16.238 24.813 3.236 1.00 14.30 C ATOM 418 OG1 THR A 26 -17.546 25.067 2.696 1.00 15.24 O ATOM 419 CG2 THR A 26 -15.868 25.917 4.214 1.00 14.19 C ATOM 0 H THR A 26 -16.878 24.680 0.818 1.00 14.33 H new ATOM 0 HA THR A 26 -14.484 25.526 2.197 1.00 13.78 H new ATOM 0 HB THR A 26 -16.234 23.864 3.772 1.00 14.30 H new ATOM 0 HG1 THR A 26 -18.197 25.120 3.427 1.00 15.24 H new ATOM 0 HG21 THR A 26 -16.605 25.955 5.016 1.00 14.19 H new ATOM 0 HG22 THR A 26 -14.883 25.715 4.636 1.00 14.19 H new ATOM 0 HG23 THR A 26 -15.850 26.874 3.692 1.00 14.19 H new ATOM 427 N ALA A 27 -13.540 23.203 1.237 1.00 12.38 N ATOM 428 CA ALA A 27 -12.773 21.969 1.172 1.00 11.72 C ATOM 429 C ALA A 27 -11.331 22.211 1.598 1.00 10.95 C ATOM 430 O ALA A 27 -10.580 22.908 0.909 1.00 10.49 O ATOM 431 CB ALA A 27 -12.827 21.383 -0.233 1.00 11.52 C ATOM 0 H ALA A 27 -13.283 23.896 0.534 1.00 12.38 H new ATOM 0 HA ALA A 27 -13.216 21.251 1.862 1.00 11.72 H new ATOM 0 HB1 ALA A 27 -12.248 20.460 -0.265 1.00 11.52 H new ATOM 0 HB2 ALA A 27 -13.863 21.171 -0.499 1.00 11.52 H new ATOM 0 HB3 ALA A 27 -12.409 22.098 -0.942 1.00 11.52 H new ATOM 437 N PRO A 28 -10.936 21.669 2.758 1.00 10.96 N ATOM 438 CA PRO A 28 -9.583 21.845 3.290 1.00 10.40 C ATOM 439 C PRO A 28 -8.548 21.061 2.489 1.00 9.29 C ATOM 440 O PRO A 28 -8.808 19.937 2.049 1.00 9.03 O ATOM 441 CB PRO A 28 -9.688 21.301 4.714 1.00 11.01 C ATOM 442 CG PRO A 28 -10.814 20.326 4.669 1.00 11.79 C ATOM 443 CD PRO A 28 -11.783 20.857 3.652 1.00 11.72 C ATOM 0 HA PRO A 28 -9.254 22.883 3.244 1.00 10.40 H new ATOM 0 HB2 PRO A 28 -8.760 20.819 5.022 1.00 11.01 H new ATOM 0 HB3 PRO A 28 -9.885 22.100 5.429 1.00 11.01 H new ATOM 0 HG2 PRO A 28 -10.460 19.334 4.389 1.00 11.79 H new ATOM 0 HG3 PRO A 28 -11.287 20.232 5.646 1.00 11.79 H new ATOM 0 HD2 PRO A 28 -12.279 20.051 3.112 1.00 11.72 H new ATOM 0 HD3 PRO A 28 -12.565 21.457 4.118 1.00 11.72 H new ATOM 451 N VAL A 29 -7.386 21.664 2.285 1.00 8.79 N ATOM 452 CA VAL A 29 -6.307 21.021 1.552 1.00 7.84 C ATOM 453 C VAL A 29 -5.755 19.845 2.359 1.00 7.19 C ATOM 454 O VAL A 29 -5.531 19.955 3.567 1.00 7.22 O ATOM 455 CB VAL A 29 -5.180 22.030 1.221 1.00 7.91 C ATOM 456 CG1 VAL A 29 -4.669 22.715 2.483 1.00 7.97 C ATOM 457 CG2 VAL A 29 -4.044 21.349 0.476 1.00 8.51 C ATOM 0 H VAL A 29 -7.166 22.602 2.619 1.00 8.79 H new ATOM 0 HA VAL A 29 -6.707 20.647 0.609 1.00 7.84 H new ATOM 0 HB VAL A 29 -5.599 22.797 0.570 1.00 7.91 H new ATOM 0 HG11 VAL A 29 -3.878 23.418 2.221 1.00 7.97 H new ATOM 0 HG12 VAL A 29 -5.488 23.252 2.962 1.00 7.97 H new ATOM 0 HG13 VAL A 29 -4.275 21.966 3.170 1.00 7.97 H new ATOM 0 HG21 VAL A 29 -3.265 22.079 0.255 1.00 8.51 H new ATOM 0 HG22 VAL A 29 -3.630 20.552 1.094 1.00 8.51 H new ATOM 0 HG23 VAL A 29 -4.421 20.927 -0.456 1.00 8.51 H new ATOM 467 N SER A 30 -5.636 18.696 1.710 1.00 6.88 N ATOM 468 CA SER A 30 -5.213 17.479 2.386 1.00 6.51 C ATOM 469 C SER A 30 -3.855 17.015 1.867 1.00 5.49 C ATOM 470 O SER A 30 -3.513 15.834 1.963 1.00 5.34 O ATOM 471 CB SER A 30 -6.258 16.382 2.181 1.00 7.14 C ATOM 472 OG SER A 30 -7.536 16.934 1.906 1.00 8.11 O ATOM 0 H SER A 30 -5.827 18.581 0.715 1.00 6.88 H new ATOM 0 HA SER A 30 -5.117 17.689 3.451 1.00 6.51 H new ATOM 0 HB2 SER A 30 -5.954 15.736 1.358 1.00 7.14 H new ATOM 0 HB3 SER A 30 -6.313 15.758 3.073 1.00 7.14 H new ATOM 0 HG SER A 30 -8.184 16.210 1.778 1.00 8.11 H new ATOM 478 N SER A 31 -3.096 17.961 1.308 1.00 5.13 N ATOM 479 CA SER A 31 -1.773 17.680 0.759 1.00 4.45 C ATOM 480 C SER A 31 -1.847 16.600 -0.319 1.00 3.89 C ATOM 481 O SER A 31 -1.436 15.457 -0.104 1.00 4.19 O ATOM 482 CB SER A 31 -0.816 17.255 1.878 1.00 4.99 C ATOM 483 OG SER A 31 -0.966 18.075 3.029 1.00 5.80 O ATOM 0 H SER A 31 -3.382 18.937 1.225 1.00 5.13 H new ATOM 0 HA SER A 31 -1.393 18.591 0.298 1.00 4.45 H new ATOM 0 HB2 SER A 31 -1.004 16.215 2.144 1.00 4.99 H new ATOM 0 HB3 SER A 31 0.212 17.312 1.521 1.00 4.99 H new ATOM 0 HG SER A 31 -0.344 17.778 3.725 1.00 5.80 H new ATOM 489 N GLY A 32 -2.384 16.967 -1.476 1.00 3.41 N ATOM 490 CA GLY A 32 -2.534 16.022 -2.569 1.00 3.15 C ATOM 491 C GLY A 32 -1.258 15.856 -3.367 1.00 2.12 C ATOM 492 O GLY A 32 -1.258 15.967 -4.592 1.00 2.44 O ATOM 0 H GLY A 32 -2.721 17.908 -1.679 1.00 3.41 H new ATOM 0 HA2 GLY A 32 -2.838 15.054 -2.170 1.00 3.15 H new ATOM 0 HA3 GLY A 32 -3.332 16.359 -3.231 1.00 3.15 H new ATOM 496 N LYS A 33 -0.174 15.556 -2.673 1.00 1.50 N ATOM 497 CA LYS A 33 1.115 15.344 -3.310 1.00 0.87 C ATOM 498 C LYS A 33 1.558 13.900 -3.107 1.00 0.73 C ATOM 499 O LYS A 33 2.556 13.628 -2.435 1.00 0.87 O ATOM 500 CB LYS A 33 2.166 16.314 -2.750 1.00 1.50 C ATOM 501 CG LYS A 33 1.838 16.859 -1.368 1.00 2.21 C ATOM 502 CD LYS A 33 3.036 17.552 -0.744 1.00 3.19 C ATOM 503 CE LYS A 33 2.784 17.901 0.714 1.00 4.16 C ATOM 504 NZ LYS A 33 3.425 16.929 1.638 1.00 4.98 N ATOM 0 H LYS A 33 -0.161 15.453 -1.658 1.00 1.50 H new ATOM 0 HA LYS A 33 1.015 15.538 -4.378 1.00 0.87 H new ATOM 0 HB2 LYS A 33 3.129 15.804 -2.708 1.00 1.50 H new ATOM 0 HB3 LYS A 33 2.277 17.150 -3.441 1.00 1.50 H new ATOM 0 HG2 LYS A 33 1.007 17.561 -1.440 1.00 2.21 H new ATOM 0 HG3 LYS A 33 1.511 16.044 -0.723 1.00 2.21 H new ATOM 0 HD2 LYS A 33 3.910 16.905 -0.818 1.00 3.19 H new ATOM 0 HD3 LYS A 33 3.263 18.460 -1.302 1.00 3.19 H new ATOM 0 HE2 LYS A 33 3.165 18.901 0.918 1.00 4.16 H new ATOM 0 HE3 LYS A 33 1.710 17.925 0.901 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 3.229 17.204 2.622 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 3.043 15.978 1.461 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 4.453 16.924 1.479 1.00 4.98 H new ATOM 518 N ILE A 34 0.739 12.977 -3.594 1.00 0.64 N ATOM 519 CA ILE A 34 0.971 11.559 -3.397 1.00 0.59 C ATOM 520 C ILE A 34 1.169 10.851 -4.733 1.00 0.52 C ATOM 521 O ILE A 34 0.526 11.181 -5.731 1.00 0.59 O ATOM 522 CB ILE A 34 -0.214 10.904 -2.655 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.825 11.875 -1.644 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.228 9.627 -1.958 1.00 1.06 C ATOM 525 CD1 ILE A 34 -2.313 12.079 -1.827 1.00 1.67 C ATOM 0 H ILE A 34 -0.100 13.192 -4.133 1.00 0.64 H new ATOM 0 HA ILE A 34 1.874 11.458 -2.795 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.975 10.651 -3.393 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.638 11.503 -0.636 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -0.321 12.838 -1.727 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.622 9.182 -1.441 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.613 8.924 -2.697 1.00 1.06 H new ATOM 0 HG23 ILE A 34 1.011 9.859 -1.236 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -2.679 12.779 -1.076 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -2.506 12.480 -2.822 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.828 11.125 -1.715 1.00 1.67 H new ATOM 537 N LYS A 35 2.063 9.880 -4.742 1.00 0.50 N ATOM 538 CA LYS A 35 2.361 9.104 -5.934 1.00 0.49 C ATOM 539 C LYS A 35 2.150 7.624 -5.647 1.00 0.44 C ATOM 540 O LYS A 35 2.150 7.214 -4.490 1.00 0.47 O ATOM 541 CB LYS A 35 3.802 9.362 -6.380 1.00 0.59 C ATOM 542 CG LYS A 35 4.206 10.827 -6.312 1.00 0.92 C ATOM 543 CD LYS A 35 4.220 11.466 -7.688 1.00 1.10 C ATOM 544 CE LYS A 35 2.824 11.849 -8.148 1.00 1.08 C ATOM 545 NZ LYS A 35 2.857 12.964 -9.128 1.00 1.27 N ATOM 0 H LYS A 35 2.605 9.606 -3.922 1.00 0.50 H new ATOM 0 HA LYS A 35 1.690 9.406 -6.738 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.477 8.778 -5.755 1.00 0.59 H new ATOM 0 HB3 LYS A 35 3.926 9.006 -7.403 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.513 11.367 -5.666 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.194 10.912 -5.860 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.853 12.353 -7.670 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.662 10.774 -8.405 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.338 10.983 -8.598 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.223 12.139 -7.286 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 1.961 12.989 -9.655 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 2.988 13.865 -8.625 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.645 12.820 -9.791 1.00 1.27 H new ATOM 559 N ARG A 36 1.901 6.838 -6.682 1.00 0.52 N ATOM 560 CA ARG A 36 1.626 5.418 -6.502 1.00 0.53 C ATOM 561 C ARG A 36 2.683 4.565 -7.192 1.00 0.56 C ATOM 562 O ARG A 36 3.039 4.815 -8.344 1.00 0.76 O ATOM 563 CB ARG A 36 0.243 5.069 -7.048 1.00 0.64 C ATOM 564 CG ARG A 36 -0.894 5.677 -6.250 1.00 1.17 C ATOM 565 CD ARG A 36 -2.231 5.455 -6.935 1.00 1.51 C ATOM 566 NE ARG A 36 -2.932 4.292 -6.394 1.00 2.02 N ATOM 567 CZ ARG A 36 -3.275 3.224 -7.116 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.999 3.173 -8.411 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.896 2.204 -6.542 1.00 3.65 N ATOM 0 H ARG A 36 1.883 7.155 -7.651 1.00 0.52 H new ATOM 0 HA ARG A 36 1.652 5.205 -5.433 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.173 5.408 -8.081 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.129 3.985 -7.060 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -0.917 5.237 -5.253 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.721 6.746 -6.123 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.853 6.342 -6.815 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -2.073 5.319 -8.005 1.00 1.51 H new ATOM 0 HE ARG A 36 -3.174 4.297 -5.403 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.521 3.953 -8.862 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.264 2.353 -8.957 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -4.113 2.234 -5.546 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -4.157 1.389 -7.096 1.00 3.65 H new ATOM 583 N VAL A 37 3.179 3.562 -6.484 1.00 0.49 N ATOM 584 CA VAL A 37 4.188 2.662 -7.021 1.00 0.56 C ATOM 585 C VAL A 37 3.872 1.222 -6.619 1.00 0.53 C ATOM 586 O VAL A 37 3.593 0.937 -5.452 1.00 0.55 O ATOM 587 CB VAL A 37 5.609 3.078 -6.544 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.439 1.888 -6.077 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.335 3.828 -7.653 1.00 1.26 C ATOM 0 H VAL A 37 2.896 3.350 -5.527 1.00 0.49 H new ATOM 0 HA VAL A 37 4.173 2.727 -8.109 1.00 0.56 H new ATOM 0 HB VAL A 37 5.482 3.735 -5.683 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.421 2.234 -5.755 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.936 1.398 -5.244 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.555 1.180 -6.898 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.329 4.115 -7.308 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.426 3.185 -8.528 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.771 4.722 -7.917 1.00 1.26 H new ATOM 599 N ASN A 38 3.861 0.326 -7.595 1.00 0.55 N ATOM 600 CA ASN A 38 3.568 -1.078 -7.338 1.00 0.56 C ATOM 601 C ASN A 38 4.836 -1.901 -7.482 1.00 0.49 C ATOM 602 O ASN A 38 5.591 -1.729 -8.445 1.00 0.57 O ATOM 603 CB ASN A 38 2.486 -1.593 -8.294 1.00 0.74 C ATOM 604 CG ASN A 38 2.060 -3.017 -7.982 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.781 -3.971 -8.271 1.00 1.53 O ATOM 606 ND2 ASN A 38 0.874 -3.172 -7.412 1.00 1.00 N ATOM 0 H ASN A 38 4.052 0.545 -8.573 1.00 0.55 H new ATOM 0 HA ASN A 38 3.192 -1.175 -6.320 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.617 -0.938 -8.240 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.858 -1.545 -9.317 1.00 0.74 H new ATOM 0 HD21 ASN A 38 0.530 -4.108 -7.198 1.00 1.00 H new ATOM 0 HD22 ASN A 38 0.305 -2.355 -7.188 1.00 1.00 H new ATOM 613 N VAL A 39 5.114 -2.733 -6.490 1.00 0.41 N ATOM 614 CA VAL A 39 6.343 -3.518 -6.477 1.00 0.44 C ATOM 615 C VAL A 39 6.057 -5.009 -6.376 1.00 0.42 C ATOM 616 O VAL A 39 5.075 -5.421 -5.761 1.00 0.48 O ATOM 617 CB VAL A 39 7.268 -3.119 -5.310 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.714 -3.055 -5.778 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.836 -1.796 -4.694 1.00 0.63 C ATOM 0 H VAL A 39 4.508 -2.883 -5.684 1.00 0.41 H new ATOM 0 HA VAL A 39 6.843 -3.306 -7.422 1.00 0.44 H new ATOM 0 HB VAL A 39 7.190 -3.883 -4.537 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.355 -2.772 -4.943 1.00 1.24 H new ATOM 0 HG12 VAL A 39 9.018 -4.032 -6.154 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.807 -2.315 -6.573 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.507 -1.540 -3.874 1.00 0.63 H new ATOM 0 HG22 VAL A 39 6.874 -1.013 -5.451 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.818 -1.886 -4.315 1.00 0.63 H new ATOM 629 N ASN A 40 6.965 -5.810 -6.926 1.00 0.46 N ATOM 630 CA ASN A 40 6.870 -7.264 -6.864 1.00 0.51 C ATOM 631 C ASN A 40 8.052 -7.824 -6.080 1.00 0.44 C ATOM 632 O ASN A 40 9.203 -7.704 -6.507 1.00 0.56 O ATOM 633 CB ASN A 40 6.854 -7.846 -8.282 1.00 0.67 C ATOM 634 CG ASN A 40 6.251 -9.237 -8.351 1.00 1.45 C ATOM 635 OD1 ASN A 40 5.478 -9.646 -7.484 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.590 -9.972 -9.399 1.00 2.13 N ATOM 0 H ASN A 40 7.786 -5.469 -7.426 1.00 0.46 H new ATOM 0 HA ASN A 40 5.945 -7.543 -6.359 1.00 0.51 H new ATOM 0 HB2 ASN A 40 6.290 -7.180 -8.935 1.00 0.67 H new ATOM 0 HB3 ASN A 40 7.874 -7.880 -8.665 1.00 0.67 H new ATOM 0 HD21 ASN A 40 6.208 -10.911 -9.508 1.00 2.13 H new ATOM 0 HD22 ASN A 40 7.233 -9.599 -10.097 1.00 2.13 H new ATOM 643 N PHE A 41 7.777 -8.347 -4.895 1.00 0.40 N ATOM 644 CA PHE A 41 8.832 -8.819 -4.002 1.00 0.45 C ATOM 645 C PHE A 41 8.913 -10.335 -3.986 1.00 0.45 C ATOM 646 O PHE A 41 7.896 -11.018 -4.094 1.00 0.56 O ATOM 647 CB PHE A 41 8.582 -8.341 -2.569 1.00 0.62 C ATOM 648 CG PHE A 41 8.443 -6.854 -2.422 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.516 -6.013 -2.671 1.00 0.98 C ATOM 650 CD2 PHE A 41 7.237 -6.300 -2.034 1.00 1.14 C ATOM 651 CE1 PHE A 41 9.383 -4.647 -2.530 1.00 1.10 C ATOM 652 CE2 PHE A 41 7.100 -4.935 -1.890 1.00 1.16 C ATOM 653 CZ PHE A 41 8.174 -4.106 -2.140 1.00 0.75 C ATOM 0 H PHE A 41 6.832 -8.457 -4.526 1.00 0.40 H new ATOM 0 HA PHE A 41 9.769 -8.410 -4.379 1.00 0.45 H new ATOM 0 HB2 PHE A 41 7.675 -8.816 -2.194 1.00 0.62 H new ATOM 0 HB3 PHE A 41 9.404 -8.680 -1.938 1.00 0.62 H new ATOM 0 HD1 PHE A 41 10.464 -6.430 -2.978 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.392 -6.944 -1.841 1.00 1.14 H new ATOM 0 HE1 PHE A 41 10.226 -4.000 -2.725 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.153 -4.516 -1.582 1.00 1.16 H new ATOM 0 HZ PHE A 41 8.069 -3.037 -2.031 1.00 0.75 H new ATOM 663 N ASP A 42 10.106 -10.838 -3.699 1.00 0.45 N ATOM 664 CA ASP A 42 10.324 -12.263 -3.479 1.00 0.47 C ATOM 665 C ASP A 42 9.431 -12.760 -2.348 1.00 0.40 C ATOM 666 O ASP A 42 9.163 -12.022 -1.391 1.00 0.35 O ATOM 667 CB ASP A 42 11.795 -12.508 -3.118 1.00 0.62 C ATOM 668 CG ASP A 42 12.198 -13.970 -3.125 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.472 -14.805 -3.701 1.00 1.35 O ATOM 670 OD2 ASP A 42 13.266 -14.290 -2.560 1.00 1.38 O ATOM 0 H ASP A 42 10.950 -10.271 -3.612 1.00 0.45 H new ATOM 0 HA ASP A 42 10.077 -12.806 -4.392 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.426 -11.965 -3.821 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.989 -12.093 -2.129 1.00 0.62 H new ATOM 675 N GLU A 43 9.022 -14.018 -2.425 1.00 0.46 N ATOM 676 CA GLU A 43 8.224 -14.628 -1.372 1.00 0.48 C ATOM 677 C GLU A 43 8.969 -14.536 -0.049 1.00 0.40 C ATOM 678 O GLU A 43 8.385 -14.218 0.983 1.00 0.42 O ATOM 679 CB GLU A 43 7.923 -16.088 -1.710 1.00 0.65 C ATOM 680 CG GLU A 43 6.477 -16.335 -2.099 1.00 1.08 C ATOM 681 CD GLU A 43 5.627 -16.760 -0.924 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.020 -17.704 -0.209 1.00 1.45 O ATOM 683 OE2 GLU A 43 4.561 -16.147 -0.708 1.00 1.28 O ATOM 0 H GLU A 43 9.230 -14.637 -3.208 1.00 0.46 H new ATOM 0 HA GLU A 43 7.278 -14.093 -1.288 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.570 -16.404 -2.529 1.00 0.65 H new ATOM 0 HB3 GLU A 43 8.171 -16.710 -0.850 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.061 -15.427 -2.535 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.438 -17.105 -2.869 1.00 1.08 H new ATOM 690 N GLU A 44 10.283 -14.703 -0.129 1.00 0.38 N ATOM 691 CA GLU A 44 11.163 -14.553 1.019 1.00 0.42 C ATOM 692 C GLU A 44 10.984 -13.187 1.674 1.00 0.37 C ATOM 693 O GLU A 44 10.689 -13.086 2.866 1.00 0.43 O ATOM 694 CB GLU A 44 12.614 -14.711 0.573 1.00 0.52 C ATOM 695 CG GLU A 44 13.522 -15.311 1.633 1.00 0.60 C ATOM 696 CD GLU A 44 12.899 -16.504 2.332 1.00 1.56 C ATOM 697 OE1 GLU A 44 12.529 -17.478 1.640 1.00 2.34 O ATOM 698 OE2 GLU A 44 12.772 -16.471 3.572 1.00 2.19 O ATOM 0 H GLU A 44 10.767 -14.946 -0.993 1.00 0.38 H new ATOM 0 HA GLU A 44 10.908 -15.322 1.748 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.644 -15.341 -0.316 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.004 -13.735 0.285 1.00 0.52 H new ATOM 0 HG2 GLU A 44 14.461 -15.616 1.171 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.764 -14.548 2.372 1.00 0.60 H new ATOM 705 N LYS A 45 11.165 -12.137 0.881 1.00 0.32 N ATOM 706 CA LYS A 45 11.045 -10.774 1.373 1.00 0.35 C ATOM 707 C LYS A 45 9.654 -10.512 1.919 1.00 0.30 C ATOM 708 O LYS A 45 9.497 -9.774 2.882 1.00 0.35 O ATOM 709 CB LYS A 45 11.339 -9.768 0.265 1.00 0.39 C ATOM 710 CG LYS A 45 12.794 -9.701 -0.144 1.00 0.56 C ATOM 711 CD LYS A 45 13.005 -8.640 -1.207 1.00 0.68 C ATOM 712 CE LYS A 45 14.276 -7.851 -0.964 1.00 1.04 C ATOM 713 NZ LYS A 45 15.158 -7.853 -2.162 1.00 1.09 N ATOM 0 H LYS A 45 11.396 -12.207 -0.110 1.00 0.32 H new ATOM 0 HA LYS A 45 11.774 -10.655 2.174 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.739 -10.022 -0.609 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.020 -8.779 0.594 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.411 -9.478 0.726 1.00 0.56 H new ATOM 0 HG3 LYS A 45 13.115 -10.671 -0.523 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.051 -9.112 -2.189 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.152 -7.962 -1.219 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.023 -6.824 -0.699 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.812 -8.276 -0.116 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.133 -7.632 -1.876 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 15.133 -8.791 -2.610 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.825 -7.137 -2.839 1.00 1.09 H new ATOM 727 N HIS A 46 8.640 -11.062 1.270 1.00 0.28 N ATOM 728 CA HIS A 46 7.269 -10.798 1.682 1.00 0.31 C ATOM 729 C HIS A 46 6.934 -11.510 2.986 1.00 0.32 C ATOM 730 O HIS A 46 6.244 -10.957 3.838 1.00 0.34 O ATOM 731 CB HIS A 46 6.271 -11.189 0.599 1.00 0.38 C ATOM 732 CG HIS A 46 5.014 -10.374 0.659 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.859 -10.808 1.269 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.744 -9.131 0.199 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.937 -9.871 1.181 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.445 -8.840 0.534 1.00 0.58 N ATOM 0 H HIS A 46 8.736 -11.685 0.468 1.00 0.28 H new ATOM 0 HA HIS A 46 7.190 -9.723 1.845 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.734 -11.066 -0.380 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.021 -12.245 0.703 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.426 -8.485 -0.334 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.933 -9.936 1.573 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.955 -7.972 0.319 1.00 0.58 H new ATOM 745 N THR A 47 7.457 -12.713 3.154 1.00 0.33 N ATOM 746 CA THR A 47 7.254 -13.459 4.384 1.00 0.40 C ATOM 747 C THR A 47 7.952 -12.754 5.548 1.00 0.39 C ATOM 748 O THR A 47 7.360 -12.547 6.610 1.00 0.43 O ATOM 749 CB THR A 47 7.773 -14.904 4.250 1.00 0.47 C ATOM 750 OG1 THR A 47 7.165 -15.538 3.111 1.00 0.72 O ATOM 751 CG2 THR A 47 7.472 -15.715 5.501 1.00 0.60 C ATOM 0 H THR A 47 8.024 -13.193 2.455 1.00 0.33 H new ATOM 0 HA THR A 47 6.183 -13.501 4.582 1.00 0.40 H new ATOM 0 HB THR A 47 8.854 -14.863 4.117 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.524 -15.145 2.288 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.850 -16.730 5.376 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.955 -15.251 6.361 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.395 -15.747 5.664 1.00 0.60 H new ATOM 759 N ARG A 48 9.168 -12.276 5.295 1.00 0.35 N ATOM 760 CA ARG A 48 9.905 -11.504 6.287 1.00 0.38 C ATOM 761 C ARG A 48 9.261 -10.138 6.493 1.00 0.34 C ATOM 762 O ARG A 48 9.292 -9.598 7.592 1.00 0.38 O ATOM 763 CB ARG A 48 11.363 -11.336 5.867 1.00 0.42 C ATOM 764 CG ARG A 48 12.343 -11.887 6.888 1.00 0.73 C ATOM 765 CD ARG A 48 13.660 -11.133 6.865 1.00 0.80 C ATOM 766 NE ARG A 48 14.792 -12.011 6.561 1.00 0.90 N ATOM 767 CZ ARG A 48 15.725 -12.355 7.446 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.627 -11.958 8.707 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.737 -13.132 7.082 1.00 1.87 N ATOM 0 H ARG A 48 9.662 -12.410 4.413 1.00 0.35 H new ATOM 0 HA ARG A 48 9.874 -12.051 7.229 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.520 -11.839 4.913 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.570 -10.278 5.708 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.905 -11.824 7.884 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.524 -12.943 6.686 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.609 -10.338 6.122 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.821 -10.656 7.832 1.00 0.80 H new ATOM 0 HE ARG A 48 14.870 -12.381 5.614 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.835 -11.387 9.002 1.00 1.83 H new ATOM 0 HH12 ARG A 48 16.344 -12.223 9.382 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.802 -13.468 6.121 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.450 -13.393 7.763 1.00 1.87 H new ATOM 783 N PHE A 49 8.648 -9.607 5.439 1.00 0.32 N ATOM 784 CA PHE A 49 7.946 -8.328 5.507 1.00 0.32 C ATOM 785 C PHE A 49 6.870 -8.376 6.578 1.00 0.36 C ATOM 786 O PHE A 49 6.833 -7.537 7.474 1.00 0.39 O ATOM 787 CB PHE A 49 7.291 -8.009 4.160 1.00 0.33 C ATOM 788 CG PHE A 49 7.831 -6.787 3.475 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.902 -6.091 4.002 1.00 0.85 C ATOM 790 CD2 PHE A 49 7.258 -6.337 2.296 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.396 -4.969 3.369 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.745 -5.216 1.657 1.00 0.92 C ATOM 793 CZ PHE A 49 8.815 -4.530 2.194 1.00 0.67 C ATOM 0 H PHE A 49 8.623 -10.047 4.519 1.00 0.32 H new ATOM 0 HA PHE A 49 8.673 -7.553 5.752 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.417 -8.866 3.498 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.220 -7.880 4.314 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.358 -6.429 4.921 1.00 0.85 H new ATOM 0 HD2 PHE A 49 6.420 -6.871 1.873 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.235 -4.435 3.791 1.00 0.94 H new ATOM 0 HE2 PHE A 49 7.290 -4.876 0.738 1.00 0.92 H new ATOM 0 HZ PHE A 49 9.198 -3.651 1.697 1.00 0.67 H new ATOM 803 N LYS A 50 6.020 -9.389 6.479 1.00 0.39 N ATOM 804 CA LYS A 50 4.931 -9.585 7.421 1.00 0.45 C ATOM 805 C LYS A 50 5.463 -9.784 8.834 1.00 0.42 C ATOM 806 O LYS A 50 4.933 -9.220 9.792 1.00 0.42 O ATOM 807 CB LYS A 50 4.091 -10.796 7.006 1.00 0.54 C ATOM 808 CG LYS A 50 3.536 -10.700 5.594 1.00 0.93 C ATOM 809 CD LYS A 50 2.341 -9.763 5.530 1.00 1.47 C ATOM 810 CE LYS A 50 1.044 -10.499 5.819 1.00 1.37 C ATOM 811 NZ LYS A 50 0.710 -10.494 7.270 1.00 2.17 N ATOM 0 H LYS A 50 6.067 -10.095 5.745 1.00 0.39 H new ATOM 0 HA LYS A 50 4.306 -8.692 7.411 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.702 -11.695 7.086 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.263 -10.909 7.705 1.00 0.54 H new ATOM 0 HG2 LYS A 50 4.315 -10.345 4.919 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.242 -11.691 5.249 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.471 -8.955 6.250 1.00 1.47 H new ATOM 0 HD3 LYS A 50 2.289 -9.304 4.543 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.232 -10.036 5.259 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.126 -11.528 5.470 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 -0.323 -10.520 7.389 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 1.132 -11.328 7.726 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 1.087 -9.630 7.710 1.00 2.17 H new ATOM 825 N ALA A 51 6.512 -10.586 8.951 1.00 0.43 N ATOM 826 CA ALA A 51 7.118 -10.869 10.243 1.00 0.46 C ATOM 827 C ALA A 51 7.742 -9.617 10.852 1.00 0.44 C ATOM 828 O ALA A 51 7.547 -9.326 12.033 1.00 0.47 O ATOM 829 CB ALA A 51 8.162 -11.965 10.101 1.00 0.53 C ATOM 0 H ALA A 51 6.962 -11.053 8.164 1.00 0.43 H new ATOM 0 HA ALA A 51 6.332 -11.210 10.917 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.610 -12.169 11.074 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.689 -12.871 9.722 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.937 -11.642 9.406 1.00 0.53 H new ATOM 835 N ALA A 52 8.533 -8.908 10.058 1.00 0.46 N ATOM 836 CA ALA A 52 9.224 -7.719 10.535 1.00 0.53 C ATOM 837 C ALA A 52 8.243 -6.595 10.862 1.00 0.53 C ATOM 838 O ALA A 52 8.345 -5.968 11.917 1.00 0.65 O ATOM 839 CB ALA A 52 10.246 -7.253 9.510 1.00 0.58 C ATOM 0 H ALA A 52 8.712 -9.136 9.080 1.00 0.46 H new ATOM 0 HA ALA A 52 9.744 -7.983 11.456 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.754 -6.363 9.881 1.00 0.58 H new ATOM 0 HB2 ALA A 52 10.977 -8.044 9.339 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.741 -7.018 8.573 1.00 0.58 H new ATOM 845 N CYS A 53 7.302 -6.332 9.955 1.00 0.48 N ATOM 846 CA CYS A 53 6.340 -5.256 10.148 1.00 0.56 C ATOM 847 C CYS A 53 5.499 -5.491 11.404 1.00 0.49 C ATOM 848 O CYS A 53 5.242 -4.559 12.171 1.00 0.53 O ATOM 849 CB CYS A 53 5.442 -5.106 8.911 1.00 0.68 C ATOM 850 SG CYS A 53 4.087 -6.301 8.794 1.00 1.29 S ATOM 0 H CYS A 53 7.189 -6.849 9.083 1.00 0.48 H new ATOM 0 HA CYS A 53 6.894 -4.327 10.285 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.020 -4.101 8.907 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.062 -5.195 8.019 1.00 0.68 H new ATOM 0 HG CYS A 53 4.489 -7.457 9.231 1.00 1.29 H new ATOM 856 N ALA A 54 5.126 -6.745 11.644 1.00 0.45 N ATOM 857 CA ALA A 54 4.349 -7.101 12.822 1.00 0.52 C ATOM 858 C ALA A 54 5.170 -6.913 14.094 1.00 0.53 C ATOM 859 O ALA A 54 4.654 -6.468 15.120 1.00 0.63 O ATOM 860 CB ALA A 54 3.852 -8.535 12.718 1.00 0.63 C ATOM 0 H ALA A 54 5.351 -7.532 11.035 1.00 0.45 H new ATOM 0 HA ALA A 54 3.487 -6.436 12.873 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.273 -8.785 13.607 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.223 -8.639 11.834 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.704 -9.210 12.638 1.00 0.63 H new ATOM 866 N ARG A 55 6.458 -7.229 14.008 1.00 0.53 N ATOM 867 CA ARG A 55 7.362 -7.086 15.143 1.00 0.66 C ATOM 868 C ARG A 55 7.565 -5.613 15.504 1.00 0.65 C ATOM 869 O ARG A 55 7.809 -5.273 16.663 1.00 0.75 O ATOM 870 CB ARG A 55 8.709 -7.741 14.830 1.00 0.77 C ATOM 871 CG ARG A 55 9.652 -7.797 16.020 1.00 1.38 C ATOM 872 CD ARG A 55 11.086 -8.046 15.584 1.00 1.87 C ATOM 873 NE ARG A 55 12.052 -7.486 16.529 1.00 2.37 N ATOM 874 CZ ARG A 55 13.036 -8.187 17.093 1.00 2.79 C ATOM 875 NH1 ARG A 55 13.190 -9.473 16.806 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.859 -7.605 17.953 1.00 3.58 N ATOM 0 H ARG A 55 6.900 -7.587 13.161 1.00 0.53 H new ATOM 0 HA ARG A 55 6.911 -7.587 16.000 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.535 -8.754 14.468 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.191 -7.192 14.021 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.597 -6.860 16.574 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.335 -8.588 16.700 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.254 -9.119 15.487 1.00 1.87 H new ATOM 0 HD3 ARG A 55 11.247 -7.608 14.599 1.00 1.87 H new ATOM 0 HE ARG A 55 11.968 -6.499 16.771 1.00 2.37 H new ATOM 0 HH11 ARG A 55 12.554 -9.929 16.152 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.944 -10.006 17.240 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.740 -6.619 18.185 1.00 3.58 H new ATOM 0 HH22 ARG A 55 14.611 -8.143 18.383 1.00 3.58 H new ATOM 890 N LYS A 56 7.474 -4.747 14.507 1.00 0.59 N ATOM 891 CA LYS A 56 7.672 -3.319 14.715 1.00 0.64 C ATOM 892 C LYS A 56 6.355 -2.625 15.043 1.00 0.54 C ATOM 893 O LYS A 56 6.341 -1.463 15.451 1.00 0.67 O ATOM 894 CB LYS A 56 8.291 -2.686 13.469 1.00 0.71 C ATOM 895 CG LYS A 56 9.709 -3.152 13.185 1.00 1.15 C ATOM 896 CD LYS A 56 10.082 -2.946 11.726 1.00 1.46 C ATOM 897 CE LYS A 56 11.373 -2.155 11.582 1.00 2.01 C ATOM 898 NZ LYS A 56 12.345 -2.468 12.664 1.00 2.32 N ATOM 0 H LYS A 56 7.264 -5.008 13.543 1.00 0.59 H new ATOM 0 HA LYS A 56 8.349 -3.193 15.560 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.664 -2.914 12.607 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.291 -1.602 13.585 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.406 -2.606 13.820 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.804 -4.207 13.440 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.192 -3.915 11.238 1.00 1.46 H new ATOM 0 HD3 LYS A 56 9.275 -2.422 11.215 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.825 -2.373 10.615 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.148 -1.089 11.595 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.310 -2.270 12.331 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.138 -1.880 13.497 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.267 -3.473 12.921 1.00 2.32 H new ATOM 912 N GLY A 57 5.247 -3.299 14.758 1.00 0.48 N ATOM 913 CA GLY A 57 3.948 -2.677 14.912 1.00 0.47 C ATOM 914 C GLY A 57 3.696 -1.677 13.804 1.00 0.51 C ATOM 915 O GLY A 57 3.575 -0.477 14.047 1.00 0.58 O ATOM 0 H GLY A 57 5.226 -4.263 14.424 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.171 -3.441 14.902 1.00 0.47 H new ATOM 0 HA3 GLY A 57 3.892 -2.177 15.879 1.00 0.47 H new ATOM 919 N THR A 58 3.791 -2.155 12.577 1.00 0.59 N ATOM 920 CA THR A 58 3.729 -1.295 11.410 1.00 0.73 C ATOM 921 C THR A 58 2.984 -1.982 10.269 1.00 0.56 C ATOM 922 O THR A 58 3.223 -3.156 9.994 1.00 0.53 O ATOM 923 CB THR A 58 5.155 -0.936 10.942 1.00 1.06 C ATOM 924 OG1 THR A 58 5.908 -0.399 12.039 1.00 2.01 O ATOM 925 CG2 THR A 58 5.132 0.064 9.801 1.00 0.61 C ATOM 0 H THR A 58 3.913 -3.145 12.362 1.00 0.59 H new ATOM 0 HA THR A 58 3.193 -0.387 11.686 1.00 0.73 H new ATOM 0 HB THR A 58 5.628 -1.850 10.582 1.00 1.06 H new ATOM 0 HG1 THR A 58 6.813 -0.175 11.736 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.153 0.293 9.498 1.00 0.61 H new ATOM 0 HG22 THR A 58 4.589 -0.360 8.956 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.637 0.978 10.128 1.00 0.61 H new ATOM 933 N SER A 59 2.115 -1.243 9.589 1.00 0.55 N ATOM 934 CA SER A 59 1.418 -1.777 8.427 1.00 0.50 C ATOM 935 C SER A 59 2.418 -2.068 7.316 1.00 0.44 C ATOM 936 O SER A 59 3.374 -1.315 7.126 1.00 0.43 O ATOM 937 CB SER A 59 0.366 -0.779 7.941 1.00 0.61 C ATOM 938 OG SER A 59 0.201 0.280 8.870 1.00 0.72 O ATOM 0 H SER A 59 1.878 -0.278 9.821 1.00 0.55 H new ATOM 0 HA SER A 59 0.917 -2.704 8.706 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.663 -0.375 6.973 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.585 -1.291 7.795 1.00 0.61 H new ATOM 0 HG SER A 59 -0.475 0.906 8.536 1.00 0.72 H new ATOM 944 N ILE A 60 2.229 -3.185 6.624 1.00 0.46 N ATOM 945 CA ILE A 60 3.154 -3.601 5.576 1.00 0.50 C ATOM 946 C ILE A 60 3.330 -2.499 4.530 1.00 0.47 C ATOM 947 O ILE A 60 4.432 -2.276 4.034 1.00 0.50 O ATOM 948 CB ILE A 60 2.692 -4.915 4.901 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.714 -5.367 3.855 1.00 0.99 C ATOM 950 CG2 ILE A 60 1.314 -4.758 4.266 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.803 -6.869 3.704 1.00 0.96 C ATOM 0 H ILE A 60 1.444 -3.819 6.769 1.00 0.46 H new ATOM 0 HA ILE A 60 4.118 -3.786 6.049 1.00 0.50 H new ATOM 0 HB ILE A 60 2.619 -5.680 5.674 1.00 0.61 H new ATOM 0 HG12 ILE A 60 3.454 -4.928 2.892 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.696 -4.979 4.127 1.00 0.99 H new ATOM 0 HG21 ILE A 60 1.019 -5.698 3.801 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.588 -4.489 5.034 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.349 -3.974 3.510 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.547 -7.115 2.946 1.00 0.96 H new ATOM 0 HD12 ILE A 60 4.094 -7.314 4.656 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.833 -7.262 3.401 1.00 0.96 H new ATOM 963 N THR A 61 2.265 -1.752 4.276 1.00 0.45 N ATOM 964 CA THR A 61 2.310 -0.649 3.337 1.00 0.45 C ATOM 965 C THR A 61 3.197 0.488 3.850 1.00 0.42 C ATOM 966 O THR A 61 4.010 1.045 3.107 1.00 0.41 O ATOM 967 CB THR A 61 0.891 -0.119 3.087 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.058 -0.949 3.774 1.00 0.68 O ATOM 969 CG2 THR A 61 0.573 -0.092 1.601 1.00 0.77 C ATOM 0 H THR A 61 1.354 -1.894 4.713 1.00 0.45 H new ATOM 0 HA THR A 61 2.737 -1.020 2.405 1.00 0.45 H new ATOM 0 HB THR A 61 0.830 0.901 3.466 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.964 -0.610 3.616 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.438 0.287 1.452 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.283 0.557 1.089 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.645 -1.101 1.195 1.00 0.77 H new ATOM 977 N ASP A 62 3.069 0.796 5.138 1.00 0.42 N ATOM 978 CA ASP A 62 3.867 1.851 5.760 1.00 0.42 C ATOM 979 C ASP A 62 5.315 1.406 5.915 1.00 0.36 C ATOM 980 O ASP A 62 6.233 2.221 5.868 1.00 0.35 O ATOM 981 CB ASP A 62 3.291 2.234 7.127 1.00 0.47 C ATOM 982 CG ASP A 62 3.531 3.693 7.472 1.00 0.61 C ATOM 983 OD1 ASP A 62 2.978 4.573 6.778 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.272 3.971 8.439 1.00 1.06 O ATOM 0 H ASP A 62 2.420 0.330 5.772 1.00 0.42 H new ATOM 0 HA ASP A 62 3.834 2.725 5.110 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.220 2.034 7.135 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.739 1.604 7.896 1.00 0.47 H new ATOM 989 N VAL A 63 5.511 0.098 6.048 1.00 0.34 N ATOM 990 CA VAL A 63 6.845 -0.478 6.151 1.00 0.32 C ATOM 991 C VAL A 63 7.637 -0.219 4.873 1.00 0.31 C ATOM 992 O VAL A 63 8.804 0.174 4.927 1.00 0.35 O ATOM 993 CB VAL A 63 6.770 -1.997 6.459 1.00 0.36 C ATOM 994 CG1 VAL A 63 7.663 -2.823 5.539 1.00 0.68 C ATOM 995 CG2 VAL A 63 7.133 -2.251 7.912 1.00 0.66 C ATOM 0 H VAL A 63 4.756 -0.587 6.087 1.00 0.34 H new ATOM 0 HA VAL A 63 7.364 0.005 6.979 1.00 0.32 H new ATOM 0 HB VAL A 63 5.743 -2.315 6.277 1.00 0.36 H new ATOM 0 HG11 VAL A 63 7.574 -3.878 5.797 1.00 0.68 H new ATOM 0 HG12 VAL A 63 7.355 -2.675 4.504 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.699 -2.507 5.658 1.00 0.68 H new ATOM 0 HG21 VAL A 63 7.078 -3.320 8.119 1.00 0.66 H new ATOM 0 HG22 VAL A 63 8.146 -1.897 8.101 1.00 0.66 H new ATOM 0 HG23 VAL A 63 6.436 -1.719 8.560 1.00 0.66 H new ATOM 1005 N VAL A 64 6.974 -0.343 3.726 1.00 0.29 N ATOM 1006 CA VAL A 64 7.616 -0.040 2.457 1.00 0.29 C ATOM 1007 C VAL A 64 7.897 1.453 2.360 1.00 0.31 C ATOM 1008 O VAL A 64 9.002 1.862 2.022 1.00 0.34 O ATOM 1009 CB VAL A 64 6.771 -0.482 1.245 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.635 -0.552 -0.004 1.00 0.33 C ATOM 1011 CG2 VAL A 64 6.101 -1.823 1.500 1.00 0.38 C ATOM 0 H VAL A 64 6.003 -0.648 3.652 1.00 0.29 H new ATOM 0 HA VAL A 64 8.549 -0.603 2.430 1.00 0.29 H new ATOM 0 HB VAL A 64 5.988 0.261 1.092 1.00 0.31 H new ATOM 0 HG11 VAL A 64 7.025 -0.865 -0.851 1.00 0.33 H new ATOM 0 HG12 VAL A 64 8.061 0.430 -0.207 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.439 -1.271 0.150 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.513 -2.108 0.628 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.862 -2.580 1.687 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.447 -1.744 2.368 1.00 0.38 H new ATOM 1021 N ASN A 65 6.930 2.258 2.770 1.00 0.32 N ATOM 1022 CA ASN A 65 7.102 3.710 2.799 1.00 0.35 C ATOM 1023 C ASN A 65 8.296 4.106 3.668 1.00 0.38 C ATOM 1024 O ASN A 65 8.982 5.095 3.394 1.00 0.40 O ATOM 1025 CB ASN A 65 5.837 4.381 3.329 1.00 0.40 C ATOM 1026 CG ASN A 65 5.413 5.568 2.491 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.239 6.259 1.896 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.114 5.813 2.443 1.00 0.48 N ATOM 0 H ASN A 65 6.016 1.935 3.088 1.00 0.32 H new ATOM 0 HA ASN A 65 7.290 4.045 1.779 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.027 3.652 3.355 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.006 4.707 4.355 1.00 0.40 H new ATOM 0 HD21 ASN A 65 3.763 6.600 1.897 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.463 5.215 2.952 1.00 0.48 H new ATOM 1035 N GLN A 66 8.543 3.319 4.707 1.00 0.39 N ATOM 1036 CA GLN A 66 9.647 3.565 5.622 1.00 0.42 C ATOM 1037 C GLN A 66 10.991 3.298 4.949 1.00 0.40 C ATOM 1038 O GLN A 66 11.921 4.099 5.064 1.00 0.44 O ATOM 1039 CB GLN A 66 9.496 2.693 6.867 1.00 0.44 C ATOM 1040 CG GLN A 66 10.582 2.913 7.906 1.00 0.87 C ATOM 1041 CD GLN A 66 10.520 1.902 9.030 1.00 1.45 C ATOM 1042 OE1 GLN A 66 11.369 1.017 9.133 1.00 2.20 O ATOM 1043 NE2 GLN A 66 9.520 2.034 9.883 1.00 1.61 N ATOM 0 H GLN A 66 7.986 2.496 4.938 1.00 0.39 H new ATOM 0 HA GLN A 66 9.621 4.615 5.914 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.526 2.891 7.322 1.00 0.44 H new ATOM 0 HB3 GLN A 66 9.500 1.645 6.568 1.00 0.44 H new ATOM 0 HG2 GLN A 66 11.558 2.857 7.424 1.00 0.87 H new ATOM 0 HG3 GLN A 66 10.488 3.917 8.319 1.00 0.87 H new ATOM 0 HE21 GLN A 66 8.839 2.783 9.758 1.00 1.61 H new ATOM 0 HE22 GLN A 66 9.429 1.387 10.666 1.00 1.61 H new ATOM 1052 N LEU A 67 11.107 2.167 4.258 1.00 0.36 N ATOM 1053 CA LEU A 67 12.362 1.811 3.604 1.00 0.35 C ATOM 1054 C LEU A 67 12.632 2.717 2.407 1.00 0.31 C ATOM 1055 O LEU A 67 13.782 3.075 2.145 1.00 0.32 O ATOM 1056 CB LEU A 67 12.381 0.344 3.166 1.00 0.38 C ATOM 1057 CG LEU A 67 11.086 -0.188 2.566 1.00 0.63 C ATOM 1058 CD1 LEU A 67 11.162 -0.197 1.049 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.795 -1.581 3.092 1.00 1.01 C ATOM 0 H LEU A 67 10.356 1.488 4.137 1.00 0.36 H new ATOM 0 HA LEU A 67 13.154 1.953 4.339 1.00 0.35 H new ATOM 0 HB2 LEU A 67 13.178 0.214 2.434 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.638 -0.270 4.030 1.00 0.38 H new ATOM 0 HG LEU A 67 10.272 0.473 2.863 1.00 0.63 H new ATOM 0 HD11 LEU A 67 10.227 -0.580 0.640 1.00 1.04 H new ATOM 0 HD12 LEU A 67 11.327 0.818 0.687 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.986 -0.835 0.730 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.867 -1.948 2.655 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.613 -2.250 2.823 1.00 1.01 H new ATOM 0 HD23 LEU A 67 10.696 -1.547 4.177 1.00 1.01 H new ATOM 1071 N VAL A 68 11.567 3.117 1.709 1.00 0.29 N ATOM 1072 CA VAL A 68 11.693 4.030 0.578 1.00 0.28 C ATOM 1073 C VAL A 68 12.320 5.335 1.038 1.00 0.30 C ATOM 1074 O VAL A 68 13.350 5.762 0.517 1.00 0.32 O ATOM 1075 CB VAL A 68 10.328 4.344 -0.074 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.495 5.346 -1.206 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.664 3.078 -0.583 1.00 0.69 C ATOM 0 H VAL A 68 10.611 2.822 1.909 1.00 0.29 H new ATOM 0 HA VAL A 68 12.322 3.537 -0.163 1.00 0.28 H new ATOM 0 HB VAL A 68 9.684 4.783 0.688 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.523 5.555 -1.653 1.00 0.81 H new ATOM 0 HG12 VAL A 68 10.920 6.270 -0.814 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.161 4.932 -1.963 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.705 3.327 -1.037 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.305 2.604 -1.326 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.504 2.391 0.248 1.00 0.69 H new ATOM 1087 N ASP A 69 11.723 5.919 2.064 1.00 0.33 N ATOM 1088 CA ASP A 69 12.209 7.160 2.645 1.00 0.39 C ATOM 1089 C ASP A 69 13.620 6.981 3.200 1.00 0.36 C ATOM 1090 O ASP A 69 14.464 7.857 3.054 1.00 0.37 O ATOM 1091 CB ASP A 69 11.250 7.615 3.749 1.00 0.50 C ATOM 1092 CG ASP A 69 11.698 8.876 4.456 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.758 9.942 3.811 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.962 8.815 5.674 1.00 1.33 O ATOM 0 H ASP A 69 10.889 5.547 2.517 1.00 0.33 H new ATOM 0 HA ASP A 69 12.250 7.924 1.869 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.263 7.781 3.316 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.146 6.815 4.482 1.00 0.50 H new ATOM 1099 N ASN A 70 13.871 5.827 3.809 1.00 0.35 N ATOM 1100 CA ASN A 70 15.174 5.525 4.398 1.00 0.37 C ATOM 1101 C ASN A 70 16.288 5.544 3.354 1.00 0.33 C ATOM 1102 O ASN A 70 17.206 6.361 3.431 1.00 0.40 O ATOM 1103 CB ASN A 70 15.137 4.155 5.078 1.00 0.44 C ATOM 1104 CG ASN A 70 15.130 4.258 6.587 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.178 4.385 7.222 1.00 0.95 O ATOM 1106 ND2 ASN A 70 13.944 4.203 7.168 1.00 1.69 N ATOM 0 H ASN A 70 13.184 5.079 3.909 1.00 0.35 H new ATOM 0 HA ASN A 70 15.387 6.300 5.134 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.250 3.614 4.750 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.002 3.572 4.761 1.00 0.44 H new ATOM 0 HD21 ASN A 70 13.870 4.266 8.183 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.103 4.097 6.601 1.00 1.69 H new ATOM 1113 N TRP A 71 16.222 4.617 2.402 1.00 0.30 N ATOM 1114 CA TRP A 71 17.254 4.486 1.375 1.00 0.36 C ATOM 1115 C TRP A 71 17.387 5.774 0.569 1.00 0.35 C ATOM 1116 O TRP A 71 18.494 6.203 0.241 1.00 0.40 O ATOM 1117 CB TRP A 71 16.921 3.313 0.445 1.00 0.42 C ATOM 1118 CG TRP A 71 18.034 2.926 -0.490 1.00 0.52 C ATOM 1119 CD1 TRP A 71 19.065 2.066 -0.231 1.00 0.63 C ATOM 1120 CD2 TRP A 71 18.213 3.358 -1.849 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.882 1.961 -1.330 1.00 0.72 N ATOM 1122 CE2 TRP A 71 19.376 2.733 -2.336 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.503 4.211 -2.701 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.848 2.938 -3.631 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.973 4.409 -3.986 1.00 0.73 C ATOM 1126 CH2 TRP A 71 19.131 3.772 -4.441 1.00 0.77 C ATOM 0 H TRP A 71 15.461 3.942 2.320 1.00 0.30 H new ATOM 0 HA TRP A 71 18.207 4.293 1.868 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.656 2.448 1.052 1.00 0.42 H new ATOM 0 HB3 TRP A 71 16.041 3.571 -0.144 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.215 1.545 0.703 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.730 1.397 -1.386 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.605 4.705 -2.361 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.748 2.455 -3.982 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 17.435 5.068 -4.651 1.00 0.73 H new ATOM 0 HH2 TRP A 71 19.466 3.943 -5.454 1.00 0.77 H new ATOM 1137 N LEU A 72 16.256 6.384 0.257 1.00 0.36 N ATOM 1138 CA LEU A 72 16.236 7.591 -0.554 1.00 0.42 C ATOM 1139 C LEU A 72 16.799 8.795 0.196 1.00 0.49 C ATOM 1140 O LEU A 72 17.228 9.760 -0.423 1.00 0.61 O ATOM 1141 CB LEU A 72 14.814 7.881 -1.023 1.00 0.45 C ATOM 1142 CG LEU A 72 14.682 8.241 -2.500 1.00 0.42 C ATOM 1143 CD1 LEU A 72 15.230 7.125 -3.374 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.231 8.526 -2.846 1.00 1.38 C ATOM 0 H LEU A 72 15.335 6.062 0.554 1.00 0.36 H new ATOM 0 HA LEU A 72 16.877 7.417 -1.418 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.196 7.006 -0.821 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.411 8.700 -0.428 1.00 0.45 H new ATOM 0 HG LEU A 72 15.267 9.141 -2.690 1.00 0.42 H new ATOM 0 HD11 LEU A 72 15.127 7.401 -4.423 1.00 1.23 H new ATOM 0 HD12 LEU A 72 16.283 6.965 -3.143 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.674 6.207 -3.184 1.00 1.23 H new ATOM 0 HD21 LEU A 72 13.152 8.781 -3.903 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.628 7.642 -2.640 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.870 9.360 -2.243 1.00 1.38 H new ATOM 1156 N LYS A 73 16.762 8.765 1.519 1.00 0.51 N ATOM 1157 CA LYS A 73 17.267 9.886 2.304 1.00 0.64 C ATOM 1158 C LYS A 73 18.705 9.646 2.756 1.00 0.63 C ATOM 1159 O LYS A 73 19.445 10.595 3.012 1.00 0.74 O ATOM 1160 CB LYS A 73 16.373 10.152 3.515 1.00 0.82 C ATOM 1161 CG LYS A 73 15.089 10.889 3.163 1.00 0.97 C ATOM 1162 CD LYS A 73 14.798 12.016 4.140 1.00 1.32 C ATOM 1163 CE LYS A 73 14.480 11.483 5.528 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.019 11.444 5.787 1.00 1.42 N ATOM 0 H LYS A 73 16.393 7.989 2.068 1.00 0.51 H new ATOM 0 HA LYS A 73 17.254 10.765 1.660 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.121 9.203 3.988 1.00 0.82 H new ATOM 0 HB3 LYS A 73 16.930 10.736 4.248 1.00 0.82 H new ATOM 0 HG2 LYS A 73 15.168 11.294 2.154 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.256 10.186 3.160 1.00 0.97 H new ATOM 0 HD2 LYS A 73 15.658 12.683 4.194 1.00 1.32 H new ATOM 0 HD3 LYS A 73 13.958 12.607 3.775 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.894 10.480 5.635 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.964 12.110 6.277 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.806 10.678 6.457 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.714 12.352 6.191 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 12.513 11.274 4.895 1.00 1.42 H new ATOM 1178 N GLU A 74 19.070 8.384 2.938 1.00 0.60 N ATOM 1179 CA GLU A 74 20.391 8.045 3.456 1.00 0.77 C ATOM 1180 C GLU A 74 21.411 7.855 2.335 1.00 0.85 C ATOM 1181 O GLU A 74 22.564 8.269 2.460 1.00 1.00 O ATOM 1182 CB GLU A 74 20.317 6.785 4.316 1.00 0.93 C ATOM 1183 CG GLU A 74 19.911 7.061 5.752 1.00 1.00 C ATOM 1184 CD GLU A 74 20.658 6.198 6.742 1.00 1.39 C ATOM 1185 OE1 GLU A 74 20.387 4.981 6.794 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.517 6.731 7.476 1.00 1.30 O ATOM 0 H GLU A 74 18.474 7.581 2.736 1.00 0.60 H new ATOM 0 HA GLU A 74 20.725 8.882 4.070 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.604 6.091 3.871 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.289 6.291 4.309 1.00 0.93 H new ATOM 0 HG2 GLU A 74 20.092 8.111 5.982 1.00 1.00 H new ATOM 0 HG3 GLU A 74 18.840 6.891 5.862 1.00 1.00 H new ATOM 1193 N ASN A 75 20.997 7.215 1.249 1.00 0.95 N ATOM 1194 CA ASN A 75 21.900 6.956 0.130 1.00 1.20 C ATOM 1195 C ASN A 75 21.952 8.156 -0.815 1.00 1.20 C ATOM 1196 O ASN A 75 23.000 8.479 -1.379 1.00 1.32 O ATOM 1197 CB ASN A 75 21.463 5.695 -0.627 1.00 1.49 C ATOM 1198 CG ASN A 75 21.799 5.743 -2.106 1.00 1.22 C ATOM 1199 OD1 ASN A 75 22.953 5.572 -2.499 1.00 1.55 O ATOM 1200 ND2 ASN A 75 20.792 5.972 -2.933 1.00 0.88 N ATOM 0 H ASN A 75 20.047 6.867 1.117 1.00 0.95 H new ATOM 0 HA ASN A 75 22.901 6.794 0.529 1.00 1.20 H new ATOM 0 HB2 ASN A 75 21.943 4.825 -0.179 1.00 1.49 H new ATOM 0 HB3 ASN A 75 20.388 5.562 -0.509 1.00 1.49 H new ATOM 0 HD21 ASN A 75 20.957 6.012 -3.939 1.00 0.88 H new ATOM 0 HD22 ASN A 75 19.851 6.108 -2.565 1.00 0.88 H new ATOM 1207 N GLU A 76 20.819 8.824 -0.978 1.00 1.19 N ATOM 1208 CA GLU A 76 20.747 9.980 -1.853 1.00 1.36 C ATOM 1209 C GLU A 76 21.108 11.251 -1.093 1.00 1.69 C ATOM 1210 O GLU A 76 20.547 11.476 -0.001 1.00 2.16 O ATOM 1211 CB GLU A 76 19.348 10.108 -2.457 1.00 1.69 C ATOM 1212 CG GLU A 76 19.203 9.452 -3.822 1.00 1.63 C ATOM 1213 CD GLU A 76 20.239 9.940 -4.810 1.00 2.07 C ATOM 1214 OE1 GLU A 76 20.254 11.151 -5.114 1.00 2.17 O ATOM 1215 OE2 GLU A 76 21.060 9.120 -5.269 1.00 2.92 O ATOM 1216 OXT GLU A 76 21.963 12.013 -1.585 1.00 2.16 O ATOM 0 H GLU A 76 19.941 8.585 -0.517 1.00 1.19 H new ATOM 0 HA GLU A 76 21.466 9.841 -2.661 1.00 1.36 H new ATOM 0 HB2 GLU A 76 18.625 9.663 -1.773 1.00 1.69 H new ATOM 0 HB3 GLU A 76 19.096 11.165 -2.544 1.00 1.69 H new ATOM 0 HG2 GLU A 76 19.290 8.371 -3.713 1.00 1.63 H new ATOM 0 HG3 GLU A 76 18.207 9.654 -4.215 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 -29.426 -15.350 -65.891 1.00 49.72 N ATOM 1225 CA MET B 1 -29.107 -16.376 -66.908 1.00 50.01 C ATOM 1226 C MET B 1 -29.926 -17.634 -66.670 1.00 50.09 C ATOM 1227 O MET B 1 -30.369 -17.890 -65.552 1.00 50.14 O ATOM 1228 CB MET B 1 -27.613 -16.704 -66.831 1.00 49.83 C ATOM 1229 CG MET B 1 -26.902 -16.629 -68.170 1.00 50.16 C ATOM 1230 SD MET B 1 -27.326 -18.004 -69.260 1.00 50.63 S ATOM 1231 CE MET B 1 -27.527 -17.143 -70.816 1.00 50.90 C ATOM 0 H1 MET B 1 -28.858 -14.497 -66.068 1.00 49.72 H new ATOM 0 H2 MET B 1 -30.437 -15.110 -65.945 1.00 49.72 H new ATOM 0 H3 MET B 1 -29.208 -15.720 -64.944 1.00 49.72 H new ATOM 0 HA MET B 1 -29.352 -15.990 -67.898 1.00 50.01 H new ATOM 0 HB2 MET B 1 -27.134 -16.014 -66.136 1.00 49.83 H new ATOM 0 HB3 MET B 1 -27.491 -17.706 -66.420 1.00 49.83 H new ATOM 0 HG2 MET B 1 -27.157 -15.690 -68.660 1.00 50.16 H new ATOM 0 HG3 MET B 1 -25.825 -16.620 -68.005 1.00 50.16 H new ATOM 0 HE1 MET B 1 -27.792 -17.857 -71.596 1.00 50.90 H new ATOM 0 HE2 MET B 1 -28.319 -16.400 -70.721 1.00 50.90 H new ATOM 0 HE3 MET B 1 -26.593 -16.647 -71.081 1.00 50.90 H new ATOM 1243 N SER B 2 -30.094 -18.435 -67.712 1.00 50.14 N ATOM 1244 CA SER B 2 -30.801 -19.698 -67.596 1.00 50.28 C ATOM 1245 C SER B 2 -30.015 -20.647 -66.699 1.00 49.60 C ATOM 1246 O SER B 2 -30.579 -21.339 -65.851 1.00 49.19 O ATOM 1247 CB SER B 2 -30.986 -20.302 -68.984 1.00 50.63 C ATOM 1248 OG SER B 2 -30.312 -19.516 -69.959 1.00 50.88 O ATOM 0 H SER B 2 -29.748 -18.230 -68.650 1.00 50.14 H new ATOM 0 HA SER B 2 -31.781 -19.532 -67.149 1.00 50.28 H new ATOM 0 HB2 SER B 2 -30.600 -21.321 -68.999 1.00 50.63 H new ATOM 0 HB3 SER B 2 -32.048 -20.360 -69.224 1.00 50.63 H new ATOM 0 HG SER B 2 -30.437 -19.916 -70.845 1.00 50.88 H new ATOM 1254 N LEU B 3 -28.697 -20.577 -66.826 1.00 49.51 N ATOM 1255 CA LEU B 3 -27.797 -21.325 -65.969 1.00 48.94 C ATOM 1256 C LEU B 3 -26.542 -20.504 -65.725 1.00 48.22 C ATOM 1257 O LEU B 3 -25.868 -20.092 -66.671 1.00 48.18 O ATOM 1258 CB LEU B 3 -27.438 -22.673 -66.597 1.00 48.75 C ATOM 1259 CG LEU B 3 -27.326 -22.673 -68.123 1.00 48.99 C ATOM 1260 CD1 LEU B 3 -25.884 -22.877 -68.550 1.00 49.26 C ATOM 1261 CD2 LEU B 3 -28.217 -23.750 -68.719 1.00 48.96 C ATOM 0 H LEU B 3 -28.226 -20.001 -67.524 1.00 49.51 H new ATOM 0 HA LEU B 3 -28.294 -21.523 -65.019 1.00 48.94 H new ATOM 0 HB2 LEU B 3 -26.489 -23.009 -66.179 1.00 48.75 H new ATOM 0 HB3 LEU B 3 -28.192 -23.404 -66.304 1.00 48.75 H new ATOM 0 HG LEU B 3 -27.660 -21.704 -68.495 1.00 48.99 H new ATOM 0 HD11 LEU B 3 -25.823 -22.874 -69.638 1.00 49.26 H new ATOM 0 HD12 LEU B 3 -25.269 -22.071 -68.150 1.00 49.26 H new ATOM 0 HD13 LEU B 3 -25.523 -23.832 -68.169 1.00 49.26 H new ATOM 0 HD21 LEU B 3 -28.126 -23.737 -69.805 1.00 48.96 H new ATOM 0 HD22 LEU B 3 -27.911 -24.726 -68.341 1.00 48.96 H new ATOM 0 HD23 LEU B 3 -29.253 -23.561 -68.439 1.00 48.96 H new ATOM 1273 N GLU B 4 -26.299 -20.165 -64.471 1.00 47.69 N ATOM 1274 CA GLU B 4 -25.175 -19.318 -64.118 1.00 46.99 C ATOM 1275 C GLU B 4 -23.877 -20.111 -64.153 1.00 46.41 C ATOM 1276 O GLU B 4 -23.781 -21.192 -63.567 1.00 46.09 O ATOM 1277 CB GLU B 4 -25.380 -18.707 -62.731 1.00 47.08 C ATOM 1278 CG GLU B 4 -24.714 -17.354 -62.559 1.00 47.35 C ATOM 1279 CD GLU B 4 -25.449 -16.248 -63.285 1.00 47.87 C ATOM 1280 OE1 GLU B 4 -26.533 -15.839 -62.812 1.00 47.70 O ATOM 1281 OE2 GLU B 4 -24.950 -15.782 -64.331 1.00 48.48 O ATOM 0 H GLU B 4 -26.867 -20.465 -63.679 1.00 47.69 H new ATOM 0 HA GLU B 4 -25.112 -18.512 -64.850 1.00 46.99 H new ATOM 0 HB2 GLU B 4 -26.449 -18.603 -62.543 1.00 47.08 H new ATOM 0 HB3 GLU B 4 -24.989 -19.393 -61.979 1.00 47.08 H new ATOM 0 HG2 GLU B 4 -24.658 -17.113 -61.498 1.00 47.35 H new ATOM 0 HG3 GLU B 4 -23.690 -17.408 -62.928 1.00 47.35 H new ATOM 1288 N LYS B 5 -22.882 -19.565 -64.836 1.00 46.34 N ATOM 1289 CA LYS B 5 -21.581 -20.203 -64.930 1.00 45.89 C ATOM 1290 C LYS B 5 -20.859 -20.115 -63.593 1.00 45.32 C ATOM 1291 O LYS B 5 -21.043 -19.146 -62.852 1.00 45.40 O ATOM 1292 CB LYS B 5 -20.740 -19.546 -66.024 1.00 46.20 C ATOM 1293 CG LYS B 5 -19.825 -20.518 -66.743 1.00 46.45 C ATOM 1294 CD LYS B 5 -19.422 -19.996 -68.109 1.00 47.12 C ATOM 1295 CE LYS B 5 -17.976 -20.332 -68.419 1.00 47.36 C ATOM 1296 NZ LYS B 5 -17.848 -21.206 -69.613 1.00 47.29 N ATOM 0 H LYS B 5 -22.953 -18.678 -65.335 1.00 46.34 H new ATOM 0 HA LYS B 5 -21.727 -21.252 -65.187 1.00 45.89 H new ATOM 0 HB2 LYS B 5 -21.404 -19.078 -66.751 1.00 46.20 H new ATOM 0 HB3 LYS B 5 -20.139 -18.751 -65.582 1.00 46.20 H new ATOM 0 HG2 LYS B 5 -18.933 -20.692 -66.141 1.00 46.45 H new ATOM 0 HG3 LYS B 5 -20.328 -21.479 -66.853 1.00 46.45 H new ATOM 0 HD2 LYS B 5 -20.070 -20.427 -68.872 1.00 47.12 H new ATOM 0 HD3 LYS B 5 -19.563 -18.916 -68.145 1.00 47.12 H new ATOM 0 HE2 LYS B 5 -17.418 -19.410 -68.584 1.00 47.36 H new ATOM 0 HE3 LYS B 5 -17.527 -20.827 -67.558 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 -16.843 -21.410 -69.788 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 -18.359 -22.097 -69.447 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 -18.252 -20.724 -70.441 1.00 47.29 H new ATOM 1310 N ALA B 6 -20.119 -21.173 -63.259 1.00 44.78 N ATOM 1311 CA ALA B 6 -19.422 -21.287 -61.978 1.00 44.24 C ATOM 1312 C ALA B 6 -20.419 -21.464 -60.839 1.00 43.74 C ATOM 1313 O ALA B 6 -21.599 -21.724 -61.078 1.00 43.85 O ATOM 1314 CB ALA B 6 -18.519 -20.084 -61.733 1.00 44.52 C ATOM 0 H ALA B 6 -19.986 -21.978 -63.872 1.00 44.78 H new ATOM 0 HA ALA B 6 -18.788 -22.173 -62.016 1.00 44.24 H new ATOM 0 HB1 ALA B 6 -18.014 -20.197 -60.773 1.00 44.52 H new ATOM 0 HB2 ALA B 6 -17.776 -20.019 -62.528 1.00 44.52 H new ATOM 0 HB3 ALA B 6 -19.120 -19.174 -61.722 1.00 44.52 H new ATOM 1320 N HIS B 7 -19.941 -21.367 -59.604 1.00 43.26 N ATOM 1321 CA HIS B 7 -20.794 -21.544 -58.433 1.00 42.80 C ATOM 1322 C HIS B 7 -20.053 -21.150 -57.164 1.00 42.47 C ATOM 1323 O HIS B 7 -18.855 -21.404 -57.031 1.00 42.04 O ATOM 1324 CB HIS B 7 -21.283 -23.000 -58.327 1.00 42.48 C ATOM 1325 CG HIS B 7 -20.193 -23.997 -58.064 1.00 42.63 C ATOM 1326 ND1 HIS B 7 -19.999 -24.592 -56.838 1.00 42.29 N ATOM 1327 CD2 HIS B 7 -19.232 -24.496 -58.877 1.00 43.14 C ATOM 1328 CE1 HIS B 7 -18.966 -25.409 -56.905 1.00 42.58 C ATOM 1329 NE2 HIS B 7 -18.484 -25.368 -58.130 1.00 43.10 N ATOM 0 H HIS B 7 -18.965 -21.166 -59.386 1.00 43.26 H new ATOM 0 HA HIS B 7 -21.661 -20.894 -58.549 1.00 42.80 H new ATOM 0 HB2 HIS B 7 -22.021 -23.066 -57.528 1.00 42.48 H new ATOM 0 HB3 HIS B 7 -21.791 -23.269 -59.253 1.00 42.48 H new ATOM 0 HD2 HIS B 7 -19.083 -24.252 -59.919 1.00 43.14 H new ATOM 0 HE1 HIS B 7 -18.581 -26.009 -56.094 1.00 42.58 H new ATOM 0 HE2 HIS B 7 -17.682 -25.900 -58.468 1.00 43.10 H new ATOM 1338 N THR B 8 -20.769 -20.551 -56.231 1.00 42.72 N ATOM 1339 CA THR B 8 -20.186 -20.152 -54.967 1.00 42.49 C ATOM 1340 C THR B 8 -20.261 -21.300 -53.968 1.00 42.09 C ATOM 1341 O THR B 8 -19.232 -21.856 -53.569 1.00 42.17 O ATOM 1342 CB THR B 8 -20.922 -18.925 -54.399 1.00 43.02 C ATOM 1343 OG1 THR B 8 -22.028 -18.593 -55.252 1.00 43.54 O ATOM 1344 CG2 THR B 8 -19.985 -17.733 -54.279 1.00 43.04 C ATOM 0 H THR B 8 -21.760 -20.330 -56.327 1.00 42.72 H new ATOM 0 HA THR B 8 -19.141 -19.891 -55.137 1.00 42.49 H new ATOM 0 HB THR B 8 -21.287 -19.171 -53.402 1.00 43.02 H new ATOM 0 HG1 THR B 8 -22.498 -17.813 -54.890 1.00 43.54 H new ATOM 0 HG21 THR B 8 -20.531 -16.880 -53.875 1.00 43.04 H new ATOM 0 HG22 THR B 8 -19.160 -17.984 -53.612 1.00 43.04 H new ATOM 0 HG23 THR B 8 -19.592 -17.479 -55.263 1.00 43.04 H new ATOM 1352 N SER B 9 -21.496 -21.712 -53.670 1.00 41.72 N ATOM 1353 CA SER B 9 -21.776 -22.841 -52.785 1.00 41.37 C ATOM 1354 C SER B 9 -21.272 -22.588 -51.363 1.00 40.97 C ATOM 1355 O SER B 9 -20.068 -22.523 -51.112 1.00 40.81 O ATOM 1356 CB SER B 9 -21.174 -24.130 -53.353 1.00 41.56 C ATOM 1357 OG SER B 9 -21.553 -24.305 -54.710 1.00 41.99 O ATOM 0 H SER B 9 -22.335 -21.266 -54.040 1.00 41.72 H new ATOM 0 HA SER B 9 -22.859 -22.955 -52.730 1.00 41.37 H new ATOM 0 HB2 SER B 9 -20.087 -24.095 -53.275 1.00 41.56 H new ATOM 0 HB3 SER B 9 -21.508 -24.984 -52.764 1.00 41.56 H new ATOM 0 HG SER B 9 -20.757 -24.492 -55.250 1.00 41.99 H new ATOM 1363 N VAL B 10 -22.205 -22.509 -50.425 1.00 40.88 N ATOM 1364 CA VAL B 10 -21.861 -22.319 -49.023 1.00 40.57 C ATOM 1365 C VAL B 10 -21.494 -23.651 -48.381 1.00 39.78 C ATOM 1366 O VAL B 10 -22.236 -24.189 -47.559 1.00 39.60 O ATOM 1367 CB VAL B 10 -23.012 -21.662 -48.226 1.00 41.04 C ATOM 1368 CG1 VAL B 10 -22.459 -20.834 -47.074 1.00 41.05 C ATOM 1369 CG2 VAL B 10 -23.889 -20.805 -49.131 1.00 41.81 C ATOM 0 H VAL B 10 -23.206 -22.574 -50.609 1.00 40.88 H new ATOM 0 HA VAL B 10 -21.004 -21.647 -48.993 1.00 40.57 H new ATOM 0 HB VAL B 10 -23.633 -22.457 -47.814 1.00 41.04 H new ATOM 0 HG11 VAL B 10 -23.283 -20.379 -46.524 1.00 41.05 H new ATOM 0 HG12 VAL B 10 -21.888 -21.477 -46.405 1.00 41.05 H new ATOM 0 HG13 VAL B 10 -21.810 -20.052 -47.467 1.00 41.05 H new ATOM 0 HG21 VAL B 10 -24.689 -20.356 -48.543 1.00 41.81 H new ATOM 0 HG22 VAL B 10 -23.286 -20.018 -49.583 1.00 41.81 H new ATOM 0 HG23 VAL B 10 -24.320 -21.427 -49.915 1.00 41.81 H new ATOM 1379 N LYS B 11 -20.354 -24.185 -48.780 1.00 39.37 N ATOM 1380 CA LYS B 11 -19.880 -25.446 -48.245 1.00 38.66 C ATOM 1381 C LYS B 11 -19.263 -25.233 -46.869 1.00 37.92 C ATOM 1382 O LYS B 11 -18.348 -24.427 -46.706 1.00 37.86 O ATOM 1383 CB LYS B 11 -18.859 -26.088 -49.196 1.00 38.51 C ATOM 1384 CG LYS B 11 -17.807 -25.123 -49.733 1.00 38.70 C ATOM 1385 CD LYS B 11 -17.990 -24.860 -51.219 1.00 39.11 C ATOM 1386 CE LYS B 11 -16.729 -24.287 -51.846 1.00 39.26 C ATOM 1387 NZ LYS B 11 -16.892 -22.858 -52.234 1.00 39.34 N ATOM 0 H LYS B 11 -19.738 -23.763 -49.475 1.00 39.37 H new ATOM 0 HA LYS B 11 -20.729 -26.122 -48.148 1.00 38.66 H new ATOM 0 HB2 LYS B 11 -18.356 -26.902 -48.674 1.00 38.51 H new ATOM 0 HB3 LYS B 11 -19.392 -26.531 -50.037 1.00 38.51 H new ATOM 0 HG2 LYS B 11 -17.865 -24.181 -49.187 1.00 38.70 H new ATOM 0 HG3 LYS B 11 -16.813 -25.533 -49.556 1.00 38.70 H new ATOM 0 HD2 LYS B 11 -18.258 -25.789 -51.723 1.00 39.11 H new ATOM 0 HD3 LYS B 11 -18.818 -24.167 -51.367 1.00 39.11 H new ATOM 0 HE2 LYS B 11 -15.902 -24.378 -51.142 1.00 39.26 H new ATOM 0 HE3 LYS B 11 -16.465 -24.873 -52.726 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 -16.111 -22.577 -52.861 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 -17.797 -22.734 -52.731 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 -16.881 -22.263 -51.381 1.00 39.34 H new ATOM 1401 N LYS B 12 -19.816 -25.903 -45.872 1.00 37.43 N ATOM 1402 CA LYS B 12 -19.336 -25.776 -44.502 1.00 36.75 C ATOM 1403 C LYS B 12 -17.943 -26.382 -44.375 1.00 36.06 C ATOM 1404 O LYS B 12 -17.620 -27.357 -45.055 1.00 35.87 O ATOM 1405 CB LYS B 12 -20.300 -26.470 -43.536 1.00 36.61 C ATOM 1406 CG LYS B 12 -20.037 -26.157 -42.072 1.00 36.83 C ATOM 1407 CD LYS B 12 -21.118 -26.733 -41.173 1.00 36.79 C ATOM 1408 CE LYS B 12 -21.264 -28.234 -41.365 1.00 36.93 C ATOM 1409 NZ LYS B 12 -21.861 -28.886 -40.174 1.00 36.94 N ATOM 0 H LYS B 12 -20.602 -26.544 -45.984 1.00 37.43 H new ATOM 0 HA LYS B 12 -19.285 -24.717 -44.247 1.00 36.75 H new ATOM 0 HB2 LYS B 12 -21.320 -26.176 -43.783 1.00 36.61 H new ATOM 0 HB3 LYS B 12 -20.234 -27.548 -43.684 1.00 36.61 H new ATOM 0 HG2 LYS B 12 -19.068 -26.562 -41.781 1.00 36.83 H new ATOM 0 HG3 LYS B 12 -19.986 -25.077 -41.934 1.00 36.83 H new ATOM 0 HD2 LYS B 12 -20.877 -26.521 -40.131 1.00 36.79 H new ATOM 0 HD3 LYS B 12 -22.068 -26.244 -41.387 1.00 36.79 H new ATOM 0 HE2 LYS B 12 -21.887 -28.430 -42.237 1.00 36.93 H new ATOM 0 HE3 LYS B 12 -20.286 -28.671 -41.567 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 -21.944 -29.909 -40.343 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 -21.253 -28.720 -39.346 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 -22.805 -28.487 -39.996 1.00 36.94 H new ATOM 1423 N MET B 13 -17.115 -25.795 -43.525 1.00 35.73 N ATOM 1424 CA MET B 13 -15.760 -26.287 -43.328 1.00 35.11 C ATOM 1425 C MET B 13 -15.555 -26.696 -41.879 1.00 34.05 C ATOM 1426 O MET B 13 -15.372 -25.850 -41.001 1.00 33.69 O ATOM 1427 CB MET B 13 -14.740 -25.221 -43.726 1.00 35.48 C ATOM 1428 CG MET B 13 -13.363 -25.786 -44.030 1.00 35.31 C ATOM 1429 SD MET B 13 -12.526 -24.890 -45.354 1.00 35.65 S ATOM 1430 CE MET B 13 -12.526 -23.230 -44.685 1.00 35.62 C ATOM 0 H MET B 13 -17.356 -24.980 -42.962 1.00 35.73 H new ATOM 0 HA MET B 13 -15.613 -27.160 -43.963 1.00 35.11 H new ATOM 0 HB2 MET B 13 -15.107 -24.687 -44.603 1.00 35.48 H new ATOM 0 HB3 MET B 13 -14.655 -24.491 -42.921 1.00 35.48 H new ATOM 0 HG2 MET B 13 -12.752 -25.750 -43.128 1.00 35.31 H new ATOM 0 HG3 MET B 13 -13.458 -26.835 -44.309 1.00 35.31 H new ATOM 0 HE1 MET B 13 -11.863 -22.599 -45.277 1.00 35.62 H new ATOM 0 HE2 MET B 13 -13.537 -22.825 -44.717 1.00 35.62 H new ATOM 0 HE3 MET B 13 -12.177 -23.254 -43.653 1.00 35.62 H new ATOM 1440 N THR B 14 -15.630 -27.991 -41.629 1.00 33.61 N ATOM 1441 CA THR B 14 -15.480 -28.519 -40.285 1.00 32.62 C ATOM 1442 C THR B 14 -14.009 -28.576 -39.881 1.00 31.94 C ATOM 1443 O THR B 14 -13.156 -28.992 -40.673 1.00 32.15 O ATOM 1444 CB THR B 14 -16.101 -29.920 -40.176 1.00 32.54 C ATOM 1445 OG1 THR B 14 -15.884 -30.652 -41.393 1.00 33.35 O ATOM 1446 CG2 THR B 14 -17.595 -29.829 -39.898 1.00 32.48 C ATOM 0 H THR B 14 -15.795 -28.700 -42.344 1.00 33.61 H new ATOM 0 HA THR B 14 -16.004 -27.846 -39.607 1.00 32.62 H new ATOM 0 HB THR B 14 -15.621 -30.441 -39.347 1.00 32.54 H new ATOM 0 HG1 THR B 14 -16.282 -31.544 -41.313 1.00 33.35 H new ATOM 0 HG21 THR B 14 -18.013 -30.833 -39.825 1.00 32.48 H new ATOM 0 HG22 THR B 14 -17.759 -29.298 -38.960 1.00 32.48 H new ATOM 0 HG23 THR B 14 -18.084 -29.290 -40.710 1.00 32.48 H new ATOM 1454 N PHE B 15 -13.709 -28.119 -38.673 1.00 31.19 N ATOM 1455 CA PHE B 15 -12.344 -28.121 -38.178 1.00 30.54 C ATOM 1456 C PHE B 15 -11.905 -29.545 -37.871 1.00 29.77 C ATOM 1457 O PHE B 15 -11.029 -30.097 -38.543 1.00 29.39 O ATOM 1458 CB PHE B 15 -12.232 -27.250 -36.924 1.00 30.31 C ATOM 1459 CG PHE B 15 -10.871 -26.654 -36.731 1.00 30.09 C ATOM 1460 CD1 PHE B 15 -10.323 -25.825 -37.696 1.00 30.43 C ATOM 1461 CD2 PHE B 15 -10.140 -26.922 -35.587 1.00 29.61 C ATOM 1462 CE1 PHE B 15 -9.071 -25.274 -37.523 1.00 30.32 C ATOM 1463 CE2 PHE B 15 -8.887 -26.372 -35.407 1.00 29.47 C ATOM 1464 CZ PHE B 15 -8.349 -25.548 -36.376 1.00 29.84 C ATOM 0 H PHE B 15 -14.395 -27.742 -38.019 1.00 31.19 H new ATOM 0 HA PHE B 15 -11.690 -27.708 -38.946 1.00 30.54 H new ATOM 0 HB2 PHE B 15 -12.967 -26.447 -36.982 1.00 30.31 H new ATOM 0 HB3 PHE B 15 -12.484 -27.851 -36.050 1.00 30.31 H new ATOM 0 HD1 PHE B 15 -10.883 -25.608 -38.594 1.00 30.43 H new ATOM 0 HD2 PHE B 15 -10.554 -27.568 -34.827 1.00 29.61 H new ATOM 0 HE1 PHE B 15 -8.655 -24.629 -38.283 1.00 30.32 H new ATOM 0 HE2 PHE B 15 -8.327 -26.586 -34.508 1.00 29.47 H new ATOM 0 HZ PHE B 15 -7.367 -25.119 -36.238 1.00 29.84 H new ATOM 1474 N GLY B 16 -12.549 -30.148 -36.882 1.00 29.61 N ATOM 1475 CA GLY B 16 -12.253 -31.519 -36.517 1.00 28.95 C ATOM 1476 C GLY B 16 -10.985 -31.643 -35.701 1.00 28.38 C ATOM 1477 O GLY B 16 -11.012 -32.122 -34.567 1.00 27.86 O ATOM 0 H GLY B 16 -13.278 -29.707 -36.321 1.00 29.61 H new ATOM 0 HA2 GLY B 16 -13.088 -31.928 -35.948 1.00 28.95 H new ATOM 0 HA3 GLY B 16 -12.159 -32.120 -37.422 1.00 28.95 H new ATOM 1481 N GLU B 17 -9.878 -31.182 -36.267 1.00 28.54 N ATOM 1482 CA GLU B 17 -8.584 -31.236 -35.602 1.00 28.12 C ATOM 1483 C GLU B 17 -8.449 -30.094 -34.601 1.00 27.58 C ATOM 1484 O GLU B 17 -7.590 -29.222 -34.742 1.00 27.25 O ATOM 1485 CB GLU B 17 -7.449 -31.174 -36.630 1.00 28.76 C ATOM 1486 CG GLU B 17 -7.779 -31.839 -37.961 1.00 28.83 C ATOM 1487 CD GLU B 17 -8.151 -33.301 -37.814 1.00 28.83 C ATOM 1488 OE1 GLU B 17 -7.498 -34.005 -37.017 1.00 28.71 O ATOM 1489 OE2 GLU B 17 -9.098 -33.751 -38.492 1.00 29.03 O ATOM 0 H GLU B 17 -9.852 -30.762 -37.196 1.00 28.54 H new ATOM 0 HA GLU B 17 -8.516 -32.181 -35.063 1.00 28.12 H new ATOM 0 HB2 GLU B 17 -7.194 -30.130 -36.811 1.00 28.76 H new ATOM 0 HB3 GLU B 17 -6.564 -31.650 -36.208 1.00 28.76 H new ATOM 0 HG2 GLU B 17 -8.604 -31.305 -38.433 1.00 28.83 H new ATOM 0 HG3 GLU B 17 -6.920 -31.753 -38.627 1.00 28.83 H new ATOM 1496 N ASN B 18 -9.307 -30.105 -33.593 1.00 27.58 N ATOM 1497 CA ASN B 18 -9.291 -29.084 -32.556 1.00 27.16 C ATOM 1498 C ASN B 18 -8.132 -29.331 -31.600 1.00 26.33 C ATOM 1499 O ASN B 18 -7.522 -28.388 -31.091 1.00 26.18 O ATOM 1500 CB ASN B 18 -10.615 -29.092 -31.786 1.00 27.37 C ATOM 1501 CG ASN B 18 -11.223 -27.710 -31.639 1.00 27.17 C ATOM 1502 OD1 ASN B 18 -10.520 -26.708 -31.496 1.00 26.74 O ATOM 1503 ND2 ASN B 18 -12.544 -27.646 -31.669 1.00 27.56 N ATOM 0 H ASN B 18 -10.029 -30.815 -33.470 1.00 27.58 H new ATOM 0 HA ASN B 18 -9.163 -28.109 -33.025 1.00 27.16 H new ATOM 0 HB2 ASN B 18 -11.324 -29.742 -32.299 1.00 27.37 H new ATOM 0 HB3 ASN B 18 -10.451 -29.518 -30.796 1.00 27.37 H new ATOM 0 HD21 ASN B 18 -13.013 -26.746 -31.572 1.00 27.56 H new ATOM 0 HD22 ASN B 18 -13.093 -28.497 -31.789 1.00 27.56 H new ATOM 1510 N ARG B 19 -7.838 -30.610 -31.377 1.00 25.86 N ATOM 1511 CA ARG B 19 -6.757 -31.033 -30.489 1.00 25.09 C ATOM 1512 C ARG B 19 -6.938 -30.453 -29.089 1.00 24.28 C ATOM 1513 O ARG B 19 -5.969 -30.095 -28.419 1.00 23.72 O ATOM 1514 CB ARG B 19 -5.391 -30.631 -31.055 1.00 24.95 C ATOM 1515 CG ARG B 19 -4.495 -31.817 -31.384 1.00 25.02 C ATOM 1516 CD ARG B 19 -4.467 -32.839 -30.255 1.00 25.65 C ATOM 1517 NE ARG B 19 -3.125 -33.382 -30.036 1.00 25.93 N ATOM 1518 CZ ARG B 19 -2.832 -34.684 -30.066 1.00 26.41 C ATOM 1519 NH1 ARG B 19 -3.795 -35.581 -30.232 1.00 26.67 N ATOM 1520 NH2 ARG B 19 -1.575 -35.088 -29.916 1.00 26.71 N ATOM 0 H ARG B 19 -8.344 -31.384 -31.808 1.00 25.86 H new ATOM 0 HA ARG B 19 -6.796 -32.120 -30.419 1.00 25.09 H new ATOM 0 HB2 ARG B 19 -5.541 -30.038 -31.957 1.00 24.95 H new ATOM 0 HB3 ARG B 19 -4.882 -29.991 -30.334 1.00 24.95 H new ATOM 0 HG2 ARG B 19 -4.847 -32.295 -32.298 1.00 25.02 H new ATOM 0 HG3 ARG B 19 -3.482 -31.464 -31.579 1.00 25.02 H new ATOM 0 HD2 ARG B 19 -4.823 -32.373 -29.336 1.00 25.65 H new ATOM 0 HD3 ARG B 19 -5.154 -33.653 -30.487 1.00 25.65 H new ATOM 0 HE ARG B 19 -2.367 -32.725 -29.849 1.00 25.93 H new ATOM 0 HH11 ARG B 19 -4.763 -35.277 -30.337 1.00 26.67 H new ATOM 0 HH12 ARG B 19 -3.568 -36.575 -30.254 1.00 26.67 H new ATOM 0 HH21 ARG B 19 -0.832 -34.403 -29.778 1.00 26.71 H new ATOM 0 HH22 ARG B 19 -1.353 -36.083 -29.939 1.00 26.71 H new ATOM 1534 N ASP B 20 -8.184 -30.399 -28.643 1.00 24.30 N ATOM 1535 CA ASP B 20 -8.494 -29.910 -27.306 1.00 23.61 C ATOM 1536 C ASP B 20 -8.205 -30.997 -26.284 1.00 22.79 C ATOM 1537 O ASP B 20 -7.808 -30.716 -25.150 1.00 22.56 O ATOM 1538 CB ASP B 20 -9.960 -29.479 -27.215 1.00 24.06 C ATOM 1539 CG ASP B 20 -10.335 -28.983 -25.833 1.00 23.62 C ATOM 1540 OD1 ASP B 20 -10.059 -27.805 -25.522 1.00 23.49 O ATOM 1541 OD2 ASP B 20 -10.919 -29.763 -25.053 1.00 23.48 O ATOM 0 H ASP B 20 -8.998 -30.688 -29.186 1.00 24.30 H new ATOM 0 HA ASP B 20 -7.868 -29.042 -27.097 1.00 23.61 H new ATOM 0 HB2 ASP B 20 -10.149 -28.691 -27.944 1.00 24.06 H new ATOM 0 HB3 ASP B 20 -10.600 -30.320 -27.481 1.00 24.06 H new ATOM 1546 N LEU B 21 -8.324 -32.242 -26.729 1.00 22.46 N ATOM 1547 CA LEU B 21 -8.022 -33.395 -25.894 1.00 21.76 C ATOM 1548 C LEU B 21 -6.512 -33.610 -25.802 1.00 20.84 C ATOM 1549 O LEU B 21 -5.993 -34.659 -26.186 1.00 20.32 O ATOM 1550 CB LEU B 21 -8.700 -34.648 -26.454 1.00 21.92 C ATOM 1551 CG LEU B 21 -10.025 -35.024 -25.786 1.00 22.37 C ATOM 1552 CD1 LEU B 21 -11.143 -34.093 -26.236 1.00 22.89 C ATOM 1553 CD2 LEU B 21 -10.386 -36.470 -26.091 1.00 22.42 C ATOM 0 H LEU B 21 -8.631 -32.479 -27.673 1.00 22.46 H new ATOM 0 HA LEU B 21 -8.407 -33.205 -24.892 1.00 21.76 H new ATOM 0 HB2 LEU B 21 -8.877 -34.501 -27.519 1.00 21.92 H new ATOM 0 HB3 LEU B 21 -8.012 -35.488 -26.358 1.00 21.92 H new ATOM 0 HG LEU B 21 -9.903 -34.916 -24.708 1.00 22.37 H new ATOM 0 HD11 LEU B 21 -12.074 -34.380 -25.748 1.00 22.89 H new ATOM 0 HD12 LEU B 21 -10.893 -33.067 -25.966 1.00 22.89 H new ATOM 0 HD13 LEU B 21 -11.263 -34.164 -27.317 1.00 22.89 H new ATOM 0 HD21 LEU B 21 -11.331 -36.719 -25.608 1.00 22.42 H new ATOM 0 HD22 LEU B 21 -10.484 -36.601 -27.169 1.00 22.42 H new ATOM 0 HD23 LEU B 21 -9.602 -37.128 -25.715 1.00 22.42 H new ATOM 1565 N GLU B 22 -5.823 -32.607 -25.285 1.00 20.72 N ATOM 1566 CA GLU B 22 -4.383 -32.652 -25.099 1.00 19.93 C ATOM 1567 C GLU B 22 -4.026 -31.875 -23.844 1.00 19.41 C ATOM 1568 O GLU B 22 -4.466 -30.735 -23.669 1.00 19.74 O ATOM 1569 CB GLU B 22 -3.666 -32.059 -26.316 1.00 20.20 C ATOM 1570 CG GLU B 22 -2.262 -32.599 -26.525 1.00 20.30 C ATOM 1571 CD GLU B 22 -1.407 -31.683 -27.377 1.00 19.89 C ATOM 1572 OE1 GLU B 22 -0.739 -30.789 -26.818 1.00 19.52 O ATOM 1573 OE2 GLU B 22 -1.391 -31.853 -28.614 1.00 20.02 O ATOM 0 H GLU B 22 -6.250 -31.732 -24.980 1.00 20.72 H new ATOM 0 HA GLU B 22 -4.062 -33.688 -24.992 1.00 19.93 H new ATOM 0 HB2 GLU B 22 -4.259 -32.260 -27.208 1.00 20.20 H new ATOM 0 HB3 GLU B 22 -3.615 -30.976 -26.204 1.00 20.20 H new ATOM 0 HG2 GLU B 22 -1.783 -32.740 -25.556 1.00 20.30 H new ATOM 0 HG3 GLU B 22 -2.320 -33.579 -26.998 1.00 20.30 H new ATOM 1580 N ARG B 23 -3.323 -32.519 -22.925 1.00 18.69 N ATOM 1581 CA ARG B 23 -3.010 -31.901 -21.649 1.00 18.19 C ATOM 1582 C ARG B 23 -1.507 -31.880 -21.402 1.00 17.33 C ATOM 1583 O ARG B 23 -0.931 -32.860 -20.933 1.00 17.06 O ATOM 1584 CB ARG B 23 -3.717 -32.643 -20.510 1.00 18.28 C ATOM 1585 CG ARG B 23 -3.668 -31.907 -19.179 1.00 18.65 C ATOM 1586 CD ARG B 23 -5.042 -31.827 -18.533 1.00 18.48 C ATOM 1587 NE ARG B 23 -5.010 -31.126 -17.249 1.00 18.13 N ATOM 1588 CZ ARG B 23 -5.653 -29.982 -17.008 1.00 17.91 C ATOM 1589 NH1 ARG B 23 -6.315 -29.374 -17.983 1.00 18.00 N ATOM 1590 NH2 ARG B 23 -5.610 -29.428 -15.802 1.00 17.74 N ATOM 0 H ARG B 23 -2.960 -33.465 -23.040 1.00 18.69 H new ATOM 0 HA ARG B 23 -3.366 -30.871 -21.680 1.00 18.19 H new ATOM 0 HB2 ARG B 23 -4.758 -32.807 -20.786 1.00 18.28 H new ATOM 0 HB3 ARG B 23 -3.260 -33.625 -20.389 1.00 18.28 H new ATOM 0 HG2 ARG B 23 -2.978 -32.416 -18.506 1.00 18.65 H new ATOM 0 HG3 ARG B 23 -3.279 -30.901 -19.333 1.00 18.65 H new ATOM 0 HD2 ARG B 23 -5.729 -31.315 -19.207 1.00 18.48 H new ATOM 0 HD3 ARG B 23 -5.431 -32.834 -18.385 1.00 18.48 H new ATOM 0 HE ARG B 23 -4.463 -31.537 -16.492 1.00 18.13 H new ATOM 0 HH11 ARG B 23 -6.333 -29.781 -18.918 1.00 18.00 H new ATOM 0 HH12 ARG B 23 -6.806 -28.499 -17.798 1.00 18.00 H new ATOM 0 HH21 ARG B 23 -5.083 -29.877 -15.053 1.00 17.74 H new ATOM 0 HH22 ARG B 23 -6.104 -28.553 -15.625 1.00 17.74 H new ATOM 1604 N VAL B 24 -0.893 -30.738 -21.657 1.00 17.00 N ATOM 1605 CA VAL B 24 0.521 -30.548 -21.372 1.00 16.23 C ATOM 1606 C VAL B 24 0.711 -29.315 -20.505 1.00 15.49 C ATOM 1607 O VAL B 24 0.133 -28.259 -20.776 1.00 15.64 O ATOM 1608 CB VAL B 24 1.374 -30.400 -22.650 1.00 16.53 C ATOM 1609 CG1 VAL B 24 2.200 -31.654 -22.884 1.00 16.12 C ATOM 1610 CG2 VAL B 24 0.510 -30.084 -23.863 1.00 17.37 C ATOM 0 H VAL B 24 -1.353 -29.923 -22.063 1.00 17.00 H new ATOM 0 HA VAL B 24 0.860 -31.443 -20.850 1.00 16.23 H new ATOM 0 HB VAL B 24 2.053 -29.560 -22.505 1.00 16.53 H new ATOM 0 HG11 VAL B 24 2.796 -31.534 -23.789 1.00 16.12 H new ATOM 0 HG12 VAL B 24 2.861 -31.818 -22.033 1.00 16.12 H new ATOM 0 HG13 VAL B 24 1.536 -32.511 -22.998 1.00 16.12 H new ATOM 0 HG21 VAL B 24 1.143 -29.986 -24.745 1.00 17.37 H new ATOM 0 HG22 VAL B 24 -0.207 -30.890 -24.018 1.00 17.37 H new ATOM 0 HG23 VAL B 24 -0.025 -29.149 -23.695 1.00 17.37 H new ATOM 1620 N VAL B 25 1.472 -29.465 -19.433 1.00 14.81 N ATOM 1621 CA VAL B 25 1.688 -28.377 -18.496 1.00 14.13 C ATOM 1622 C VAL B 25 2.803 -27.459 -18.982 1.00 13.38 C ATOM 1623 O VAL B 25 3.970 -27.624 -18.623 1.00 13.23 O ATOM 1624 CB VAL B 25 2.023 -28.907 -17.085 1.00 14.18 C ATOM 1625 CG1 VAL B 25 2.157 -27.760 -16.090 1.00 13.94 C ATOM 1626 CG2 VAL B 25 0.961 -29.896 -16.625 1.00 14.46 C ATOM 0 H VAL B 25 1.951 -30.332 -19.191 1.00 14.81 H new ATOM 0 HA VAL B 25 0.760 -27.808 -18.438 1.00 14.13 H new ATOM 0 HB VAL B 25 2.981 -29.424 -17.133 1.00 14.18 H new ATOM 0 HG11 VAL B 25 2.393 -28.160 -15.104 1.00 13.94 H new ATOM 0 HG12 VAL B 25 2.955 -27.091 -16.411 1.00 13.94 H new ATOM 0 HG13 VAL B 25 1.218 -27.208 -16.043 1.00 13.94 H new ATOM 0 HG21 VAL B 25 1.211 -30.261 -15.629 1.00 14.46 H new ATOM 0 HG22 VAL B 25 -0.010 -29.401 -16.597 1.00 14.46 H new ATOM 0 HG23 VAL B 25 0.920 -30.735 -17.319 1.00 14.46 H new ATOM 1636 N THR B 26 2.429 -26.475 -19.778 1.00 13.07 N ATOM 1637 CA THR B 26 3.374 -25.491 -20.270 1.00 12.47 C ATOM 1638 C THR B 26 3.461 -24.327 -19.294 1.00 11.78 C ATOM 1639 O THR B 26 2.764 -23.324 -19.444 1.00 11.91 O ATOM 1640 CB THR B 26 2.960 -24.965 -21.658 1.00 12.87 C ATOM 1641 OG1 THR B 26 2.057 -25.890 -22.278 1.00 13.71 O ATOM 1642 CG2 THR B 26 4.174 -24.766 -22.551 1.00 12.94 C ATOM 0 H THR B 26 1.471 -26.336 -20.099 1.00 13.07 H new ATOM 0 HA THR B 26 4.347 -25.973 -20.360 1.00 12.47 H new ATOM 0 HB THR B 26 2.468 -24.002 -21.524 1.00 12.87 H new ATOM 0 HG1 THR B 26 1.795 -25.551 -23.159 1.00 13.71 H new ATOM 0 HG21 THR B 26 3.853 -24.394 -23.524 1.00 12.94 H new ATOM 0 HG22 THR B 26 4.849 -24.044 -22.092 1.00 12.94 H new ATOM 0 HG23 THR B 26 4.692 -25.717 -22.679 1.00 12.94 H new ATOM 1650 N ALA B 27 4.244 -24.505 -18.242 1.00 11.17 N ATOM 1651 CA ALA B 27 4.361 -23.501 -17.201 1.00 10.52 C ATOM 1652 C ALA B 27 5.817 -23.108 -16.983 1.00 9.95 C ATOM 1653 O ALA B 27 6.690 -23.968 -16.849 1.00 9.71 O ATOM 1654 CB ALA B 27 3.747 -24.008 -15.904 1.00 10.28 C ATOM 0 H ALA B 27 4.810 -25.340 -18.088 1.00 11.17 H new ATOM 0 HA ALA B 27 3.816 -22.614 -17.522 1.00 10.52 H new ATOM 0 HB1 ALA B 27 3.843 -23.244 -15.133 1.00 10.28 H new ATOM 0 HB2 ALA B 27 2.692 -24.232 -16.064 1.00 10.28 H new ATOM 0 HB3 ALA B 27 4.266 -24.912 -15.585 1.00 10.28 H new ATOM 1660 N PRO B 28 6.101 -21.799 -16.975 1.00 9.96 N ATOM 1661 CA PRO B 28 7.453 -21.275 -16.787 1.00 9.63 C ATOM 1662 C PRO B 28 7.904 -21.376 -15.334 1.00 8.60 C ATOM 1663 O PRO B 28 7.258 -22.032 -14.515 1.00 8.30 O ATOM 1664 CB PRO B 28 7.341 -19.801 -17.212 1.00 10.21 C ATOM 1665 CG PRO B 28 5.968 -19.640 -17.780 1.00 10.68 C ATOM 1666 CD PRO B 28 5.131 -20.719 -17.162 1.00 10.54 C ATOM 0 HA PRO B 28 8.190 -21.835 -17.362 1.00 9.63 H new ATOM 0 HB2 PRO B 28 7.492 -19.137 -16.361 1.00 10.21 H new ATOM 0 HB3 PRO B 28 8.101 -19.549 -17.951 1.00 10.21 H new ATOM 0 HG2 PRO B 28 5.564 -18.654 -17.549 1.00 10.68 H new ATOM 0 HG3 PRO B 28 5.983 -19.732 -18.866 1.00 10.68 H new ATOM 0 HD2 PRO B 28 4.690 -20.401 -16.217 1.00 10.54 H new ATOM 0 HD3 PRO B 28 4.309 -21.019 -17.812 1.00 10.54 H new ATOM 1674 N VAL B 29 9.005 -20.715 -15.013 1.00 8.25 N ATOM 1675 CA VAL B 29 9.536 -20.733 -13.656 1.00 7.38 C ATOM 1676 C VAL B 29 9.043 -19.516 -12.866 1.00 6.86 C ATOM 1677 O VAL B 29 9.636 -19.111 -11.862 1.00 6.83 O ATOM 1678 CB VAL B 29 11.086 -20.797 -13.673 1.00 7.36 C ATOM 1679 CG1 VAL B 29 11.701 -19.451 -14.030 1.00 7.30 C ATOM 1680 CG2 VAL B 29 11.621 -21.305 -12.343 1.00 8.00 C ATOM 0 H VAL B 29 9.549 -20.159 -15.672 1.00 8.25 H new ATOM 0 HA VAL B 29 9.169 -21.630 -13.156 1.00 7.38 H new ATOM 0 HB VAL B 29 11.377 -21.503 -14.451 1.00 7.36 H new ATOM 0 HG11 VAL B 29 12.788 -19.536 -14.032 1.00 7.30 H new ATOM 0 HG12 VAL B 29 11.360 -19.146 -15.019 1.00 7.30 H new ATOM 0 HG13 VAL B 29 11.397 -18.706 -13.295 1.00 7.30 H new ATOM 0 HG21 VAL B 29 12.710 -21.341 -12.379 1.00 8.00 H new ATOM 0 HG22 VAL B 29 11.306 -20.634 -11.544 1.00 8.00 H new ATOM 0 HG23 VAL B 29 11.231 -22.305 -12.152 1.00 8.00 H new ATOM 1690 N SER B 30 7.939 -18.943 -13.322 1.00 6.76 N ATOM 1691 CA SER B 30 7.345 -17.789 -12.667 1.00 6.54 C ATOM 1692 C SER B 30 6.694 -18.190 -11.344 1.00 5.55 C ATOM 1693 O SER B 30 7.004 -17.618 -10.293 1.00 5.55 O ATOM 1694 CB SER B 30 6.309 -17.162 -13.595 1.00 7.31 C ATOM 1695 OG SER B 30 6.187 -17.916 -14.791 1.00 8.13 O ATOM 0 H SER B 30 7.434 -19.262 -14.149 1.00 6.76 H new ATOM 0 HA SER B 30 8.129 -17.063 -12.450 1.00 6.54 H new ATOM 0 HB2 SER B 30 5.344 -17.112 -13.090 1.00 7.31 H new ATOM 0 HB3 SER B 30 6.598 -16.138 -13.832 1.00 7.31 H new ATOM 0 HG SER B 30 5.517 -17.500 -15.373 1.00 8.13 H new ATOM 1701 N SER B 31 5.820 -19.199 -11.412 1.00 5.05 N ATOM 1702 CA SER B 31 5.118 -19.716 -10.241 1.00 4.38 C ATOM 1703 C SER B 31 4.414 -18.587 -9.479 1.00 3.76 C ATOM 1704 O SER B 31 3.843 -17.680 -10.092 1.00 4.12 O ATOM 1705 CB SER B 31 6.095 -20.473 -9.334 1.00 4.89 C ATOM 1706 OG SER B 31 7.221 -20.939 -10.065 1.00 5.76 O ATOM 0 H SER B 31 5.582 -19.677 -12.281 1.00 5.05 H new ATOM 0 HA SER B 31 4.349 -20.412 -10.575 1.00 4.38 H new ATOM 0 HB2 SER B 31 6.427 -19.819 -8.528 1.00 4.89 H new ATOM 0 HB3 SER B 31 5.585 -21.317 -8.870 1.00 4.89 H new ATOM 0 HG SER B 31 7.828 -21.416 -9.462 1.00 5.76 H new ATOM 1712 N GLY B 32 4.475 -18.630 -8.154 1.00 3.21 N ATOM 1713 CA GLY B 32 3.868 -17.592 -7.346 1.00 3.08 C ATOM 1714 C GLY B 32 4.799 -17.132 -6.246 1.00 2.11 C ATOM 1715 O GLY B 32 4.361 -16.781 -5.150 1.00 2.56 O ATOM 0 H GLY B 32 4.936 -19.369 -7.623 1.00 3.21 H new ATOM 0 HA2 GLY B 32 3.603 -16.745 -7.979 1.00 3.08 H new ATOM 0 HA3 GLY B 32 2.942 -17.965 -6.908 1.00 3.08 H new ATOM 1719 N LYS B 33 6.095 -17.189 -6.527 1.00 1.35 N ATOM 1720 CA LYS B 33 7.123 -16.854 -5.545 1.00 0.80 C ATOM 1721 C LYS B 33 7.393 -15.354 -5.503 1.00 0.59 C ATOM 1722 O LYS B 33 8.452 -14.920 -5.057 1.00 0.58 O ATOM 1723 CB LYS B 33 8.423 -17.603 -5.857 1.00 1.23 C ATOM 1724 CG LYS B 33 8.765 -17.658 -7.339 1.00 2.23 C ATOM 1725 CD LYS B 33 10.244 -17.394 -7.592 1.00 3.13 C ATOM 1726 CE LYS B 33 11.140 -18.270 -6.728 1.00 4.15 C ATOM 1727 NZ LYS B 33 10.931 -19.717 -6.992 1.00 4.99 N ATOM 0 H LYS B 33 6.463 -17.467 -7.437 1.00 1.35 H new ATOM 0 HA LYS B 33 6.752 -17.160 -4.567 1.00 0.80 H new ATOM 0 HB2 LYS B 33 9.244 -17.124 -5.323 1.00 1.23 H new ATOM 0 HB3 LYS B 33 8.345 -18.621 -5.475 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.498 -18.637 -7.737 1.00 2.23 H new ATOM 0 HG3 LYS B 33 8.168 -16.922 -7.877 1.00 2.23 H new ATOM 0 HD2 LYS B 33 10.469 -17.573 -8.643 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.463 -16.345 -7.393 1.00 3.13 H new ATOM 0 HE2 LYS B 33 12.183 -18.015 -6.914 1.00 4.15 H new ATOM 0 HE3 LYS B 33 10.944 -18.062 -5.676 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 11.630 -20.272 -6.458 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 9.972 -19.989 -6.694 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 11.044 -19.904 -8.009 1.00 4.99 H new ATOM 1741 N ILE B 34 6.430 -14.566 -5.953 1.00 0.67 N ATOM 1742 CA ILE B 34 6.559 -13.118 -5.942 1.00 0.59 C ATOM 1743 C ILE B 34 5.237 -12.475 -5.541 1.00 0.57 C ATOM 1744 O ILE B 34 4.177 -12.845 -6.049 1.00 0.68 O ATOM 1745 CB ILE B 34 7.004 -12.559 -7.312 1.00 0.78 C ATOM 1746 CG1 ILE B 34 6.884 -13.624 -8.405 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.431 -12.041 -7.231 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.588 -13.556 -9.173 1.00 1.92 C ATOM 0 H ILE B 34 5.547 -14.907 -6.332 1.00 0.67 H new ATOM 0 HA ILE B 34 7.331 -12.873 -5.213 1.00 0.59 H new ATOM 0 HB ILE B 34 6.344 -11.732 -7.573 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.716 -13.514 -9.101 1.00 1.38 H new ATOM 0 HG13 ILE B 34 6.977 -14.611 -7.951 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.732 -11.650 -8.203 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.488 -11.247 -6.487 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.098 -12.855 -6.945 1.00 1.45 H new ATOM 0 HD11 ILE B 34 5.572 -14.340 -9.931 1.00 1.92 H new ATOM 0 HD12 ILE B 34 4.752 -13.696 -8.488 1.00 1.92 H new ATOM 0 HD13 ILE B 34 5.502 -12.583 -9.656 1.00 1.92 H new ATOM 1760 N LYS B 35 5.298 -11.566 -4.584 1.00 0.54 N ATOM 1761 CA LYS B 35 4.104 -10.916 -4.062 1.00 0.58 C ATOM 1762 C LYS B 35 4.140 -9.422 -4.355 1.00 0.59 C ATOM 1763 O LYS B 35 5.194 -8.796 -4.271 1.00 0.67 O ATOM 1764 CB LYS B 35 3.995 -11.155 -2.555 1.00 0.70 C ATOM 1765 CG LYS B 35 4.277 -12.590 -2.143 1.00 0.94 C ATOM 1766 CD LYS B 35 3.024 -13.438 -2.197 1.00 1.25 C ATOM 1767 CE LYS B 35 3.073 -14.428 -3.348 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.990 -15.829 -2.870 1.00 1.30 N ATOM 0 H LYS B 35 6.167 -11.258 -4.148 1.00 0.54 H new ATOM 0 HA LYS B 35 3.230 -11.344 -4.553 1.00 0.58 H new ATOM 0 HB2 LYS B 35 4.692 -10.495 -2.040 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.993 -10.881 -2.224 1.00 0.70 H new ATOM 0 HG2 LYS B 35 5.035 -13.016 -2.800 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.686 -12.606 -1.133 1.00 0.94 H new ATOM 0 HD2 LYS B 35 2.907 -13.977 -1.257 1.00 1.25 H new ATOM 0 HD3 LYS B 35 2.151 -12.794 -2.306 1.00 1.25 H new ATOM 0 HE2 LYS B 35 2.251 -14.228 -4.035 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.997 -14.289 -3.909 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 3.389 -16.465 -3.589 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.528 -15.926 -1.985 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 1.995 -16.079 -2.699 1.00 1.30 H new ATOM 1782 N ARG B 36 3.006 -8.869 -4.746 1.00 0.63 N ATOM 1783 CA ARG B 36 2.937 -7.472 -5.140 1.00 0.65 C ATOM 1784 C ARG B 36 2.210 -6.622 -4.103 1.00 0.63 C ATOM 1785 O ARG B 36 1.273 -7.083 -3.448 1.00 0.77 O ATOM 1786 CB ARG B 36 2.231 -7.346 -6.489 1.00 0.72 C ATOM 1787 CG ARG B 36 3.177 -7.353 -7.673 1.00 1.52 C ATOM 1788 CD ARG B 36 2.417 -7.441 -8.983 1.00 1.83 C ATOM 1789 NE ARG B 36 1.579 -6.267 -9.205 1.00 2.61 N ATOM 1790 CZ ARG B 36 0.273 -6.320 -9.467 1.00 3.31 C ATOM 1791 NH1 ARG B 36 -0.351 -7.489 -9.537 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -0.412 -5.201 -9.647 1.00 4.33 N ATOM 0 H ARG B 36 2.117 -9.367 -4.799 1.00 0.63 H new ATOM 0 HA ARG B 36 3.960 -7.103 -5.218 1.00 0.65 H new ATOM 0 HB2 ARG B 36 1.522 -8.167 -6.596 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.653 -6.422 -6.502 1.00 0.72 H new ATOM 0 HG2 ARG B 36 3.784 -6.448 -7.662 1.00 1.52 H new ATOM 0 HG3 ARG B 36 3.862 -8.197 -7.590 1.00 1.52 H new ATOM 0 HD2 ARG B 36 3.124 -7.544 -9.807 1.00 1.83 H new ATOM 0 HD3 ARG B 36 1.795 -8.336 -8.983 1.00 1.83 H new ATOM 0 HE ARG B 36 2.020 -5.349 -9.157 1.00 2.61 H new ATOM 0 HH11 ARG B 36 0.169 -8.354 -9.390 1.00 3.37 H new ATOM 0 HH12 ARG B 36 -1.350 -7.522 -9.738 1.00 3.37 H new ATOM 0 HH21 ARG B 36 0.060 -4.299 -9.585 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -1.411 -5.241 -9.847 1.00 4.33 H new ATOM 1806 N VAL B 37 2.609 -5.359 -4.018 1.00 0.53 N ATOM 1807 CA VAL B 37 1.970 -4.395 -3.131 1.00 0.56 C ATOM 1808 C VAL B 37 2.094 -2.987 -3.717 1.00 0.49 C ATOM 1809 O VAL B 37 3.046 -2.695 -4.450 1.00 0.49 O ATOM 1810 CB VAL B 37 2.577 -4.437 -1.703 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.873 -3.636 -1.617 1.00 0.92 C ATOM 1812 CG2 VAL B 37 1.571 -3.937 -0.675 1.00 1.36 C ATOM 0 H VAL B 37 3.383 -4.975 -4.560 1.00 0.53 H new ATOM 0 HA VAL B 37 0.917 -4.663 -3.048 1.00 0.56 H new ATOM 0 HB VAL B 37 2.816 -5.477 -1.480 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.267 -3.690 -0.602 1.00 0.92 H new ATOM 0 HG12 VAL B 37 4.603 -4.050 -2.312 1.00 0.92 H new ATOM 0 HG13 VAL B 37 3.675 -2.596 -1.875 1.00 0.92 H new ATOM 0 HG21 VAL B 37 2.017 -3.975 0.319 1.00 1.36 H new ATOM 0 HG22 VAL B 37 1.292 -2.910 -0.909 1.00 1.36 H new ATOM 0 HG23 VAL B 37 0.683 -4.568 -0.698 1.00 1.36 H new ATOM 1822 N ASN B 38 1.120 -2.133 -3.432 1.00 0.54 N ATOM 1823 CA ASN B 38 1.141 -0.760 -3.922 1.00 0.54 C ATOM 1824 C ASN B 38 1.444 0.198 -2.784 1.00 0.52 C ATOM 1825 O ASN B 38 0.752 0.202 -1.765 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.196 -0.388 -4.564 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.251 1.070 -4.994 1.00 0.92 C ATOM 1828 OD1 ASN B 38 0.384 1.467 -5.972 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -1.008 1.877 -4.267 1.00 1.37 N ATOM 0 H ASN B 38 0.305 -2.366 -2.864 1.00 0.54 H new ATOM 0 HA ASN B 38 1.923 -0.684 -4.677 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.369 -1.026 -5.431 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.002 -0.586 -3.857 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.080 2.865 -4.510 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -1.519 1.511 -3.464 1.00 1.37 H new ATOM 1836 N VAL B 39 2.474 1.007 -2.959 1.00 0.48 N ATOM 1837 CA VAL B 39 2.864 1.971 -1.946 1.00 0.49 C ATOM 1838 C VAL B 39 2.571 3.388 -2.413 1.00 0.46 C ATOM 1839 O VAL B 39 2.581 3.675 -3.614 1.00 0.48 O ATOM 1840 CB VAL B 39 4.363 1.863 -1.596 1.00 0.54 C ATOM 1841 CG1 VAL B 39 4.593 2.190 -0.126 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.904 0.482 -1.933 1.00 0.54 C ATOM 0 H VAL B 39 3.057 1.015 -3.796 1.00 0.48 H new ATOM 0 HA VAL B 39 2.280 1.744 -1.054 1.00 0.49 H new ATOM 0 HB VAL B 39 4.906 2.591 -2.199 1.00 0.54 H new ATOM 0 HG11 VAL B 39 5.656 2.109 0.103 1.00 0.77 H new ATOM 0 HG12 VAL B 39 4.254 3.206 0.078 1.00 0.77 H new ATOM 0 HG13 VAL B 39 4.034 1.490 0.494 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.962 0.433 -1.676 1.00 0.54 H new ATOM 0 HG22 VAL B 39 4.358 -0.271 -1.365 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.780 0.293 -2.999 1.00 0.54 H new ATOM 1852 N ASN B 40 2.336 4.273 -1.458 1.00 0.52 N ATOM 1853 CA ASN B 40 2.076 5.668 -1.758 1.00 0.57 C ATOM 1854 C ASN B 40 3.300 6.501 -1.424 1.00 0.56 C ATOM 1855 O ASN B 40 3.737 6.545 -0.278 1.00 0.72 O ATOM 1856 CB ASN B 40 0.867 6.183 -0.970 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.384 5.354 -1.194 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -1.187 5.645 -2.082 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.552 4.313 -0.393 1.00 1.99 N ATOM 0 H ASN B 40 2.320 4.046 -0.464 1.00 0.52 H new ATOM 0 HA ASN B 40 1.854 5.755 -2.822 1.00 0.57 H new ATOM 0 HB2 ASN B 40 1.108 6.187 0.093 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.668 7.216 -1.255 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.372 3.715 -0.498 1.00 1.99 H new ATOM 0 HD22 ASN B 40 0.138 4.109 0.329 1.00 1.99 H new ATOM 1866 N PHE B 41 3.851 7.159 -2.424 1.00 0.48 N ATOM 1867 CA PHE B 41 5.042 7.973 -2.242 1.00 0.55 C ATOM 1868 C PHE B 41 4.662 9.445 -2.199 1.00 0.60 C ATOM 1869 O PHE B 41 3.568 9.815 -2.611 1.00 0.76 O ATOM 1870 CB PHE B 41 6.030 7.745 -3.397 1.00 0.66 C ATOM 1871 CG PHE B 41 6.697 6.395 -3.418 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.342 5.401 -2.520 1.00 1.04 C ATOM 1873 CD2 PHE B 41 7.687 6.123 -4.349 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.958 4.165 -2.551 1.00 1.08 C ATOM 1875 CE2 PHE B 41 8.308 4.890 -4.386 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.941 3.910 -3.486 1.00 0.93 C ATOM 0 H PHE B 41 3.492 7.147 -3.379 1.00 0.48 H new ATOM 0 HA PHE B 41 5.514 7.685 -1.302 1.00 0.55 H new ATOM 0 HB2 PHE B 41 5.500 7.884 -4.339 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.802 8.513 -3.349 1.00 0.66 H new ATOM 0 HD1 PHE B 41 5.574 5.595 -1.786 1.00 1.04 H new ATOM 0 HD2 PHE B 41 7.977 6.886 -5.056 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.671 3.400 -1.845 1.00 1.08 H new ATOM 0 HE2 PHE B 41 9.078 4.693 -5.117 1.00 1.26 H new ATOM 0 HZ PHE B 41 8.423 2.944 -3.513 1.00 0.93 H new ATOM 1886 N ASP B 42 5.576 10.281 -1.752 1.00 0.56 N ATOM 1887 CA ASP B 42 5.351 11.718 -1.758 1.00 0.59 C ATOM 1888 C ASP B 42 5.958 12.323 -3.023 1.00 0.54 C ATOM 1889 O ASP B 42 6.670 11.639 -3.760 1.00 0.51 O ATOM 1890 CB ASP B 42 5.928 12.360 -0.483 1.00 0.68 C ATOM 1891 CG ASP B 42 7.223 13.120 -0.706 1.00 1.22 C ATOM 1892 OD1 ASP B 42 8.301 12.511 -0.589 1.00 2.03 O ATOM 1893 OD2 ASP B 42 7.165 14.339 -0.971 1.00 1.66 O ATOM 0 H ASP B 42 6.481 9.994 -1.380 1.00 0.56 H new ATOM 0 HA ASP B 42 4.280 11.920 -1.763 1.00 0.59 H new ATOM 0 HB2 ASP B 42 5.187 13.041 -0.064 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.100 11.580 0.259 1.00 0.68 H new ATOM 1898 N GLU B 43 5.606 13.570 -3.313 1.00 0.63 N ATOM 1899 CA GLU B 43 6.071 14.245 -4.520 1.00 0.67 C ATOM 1900 C GLU B 43 7.593 14.207 -4.625 1.00 0.56 C ATOM 1901 O GLU B 43 8.141 13.779 -5.638 1.00 0.60 O ATOM 1902 CB GLU B 43 5.591 15.697 -4.530 1.00 0.87 C ATOM 1903 CG GLU B 43 4.469 15.969 -5.520 1.00 1.09 C ATOM 1904 CD GLU B 43 4.791 15.493 -6.920 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.927 15.715 -7.390 1.00 1.63 O ATOM 1906 OE2 GLU B 43 3.900 14.902 -7.571 1.00 1.73 O ATOM 0 H GLU B 43 4.996 14.138 -2.725 1.00 0.63 H new ATOM 0 HA GLU B 43 5.655 13.718 -5.378 1.00 0.67 H new ATOM 0 HB2 GLU B 43 5.252 15.964 -3.529 1.00 0.87 H new ATOM 0 HB3 GLU B 43 6.434 16.346 -4.764 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.559 15.477 -5.175 1.00 1.09 H new ATOM 0 HG3 GLU B 43 4.264 17.039 -5.544 1.00 1.09 H new ATOM 1913 N GLU B 44 8.261 14.588 -3.542 1.00 0.52 N ATOM 1914 CA GLU B 44 9.718 14.577 -3.486 1.00 0.54 C ATOM 1915 C GLU B 44 10.253 13.164 -3.662 1.00 0.53 C ATOM 1916 O GLU B 44 11.249 12.943 -4.353 1.00 0.57 O ATOM 1917 CB GLU B 44 10.191 15.132 -2.149 1.00 0.62 C ATOM 1918 CG GLU B 44 10.933 16.452 -2.257 1.00 0.91 C ATOM 1919 CD GLU B 44 12.422 16.274 -2.473 1.00 1.74 C ATOM 1920 OE1 GLU B 44 12.867 15.122 -2.654 1.00 2.36 O ATOM 1921 OE2 GLU B 44 13.159 17.285 -2.458 1.00 2.52 O ATOM 0 H GLU B 44 7.812 14.911 -2.685 1.00 0.52 H new ATOM 0 HA GLU B 44 10.095 15.201 -4.296 1.00 0.54 H new ATOM 0 HB2 GLU B 44 9.328 15.264 -1.496 1.00 0.62 H new ATOM 0 HB3 GLU B 44 10.842 14.399 -1.673 1.00 0.62 H new ATOM 0 HG2 GLU B 44 10.518 17.030 -3.082 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.769 17.031 -1.348 1.00 0.91 H new ATOM 1928 N LYS B 45 9.590 12.216 -3.013 1.00 0.52 N ATOM 1929 CA LYS B 45 9.989 10.818 -3.058 1.00 0.56 C ATOM 1930 C LYS B 45 9.992 10.284 -4.484 1.00 0.55 C ATOM 1931 O LYS B 45 10.788 9.416 -4.817 1.00 0.59 O ATOM 1932 CB LYS B 45 9.053 9.976 -2.189 1.00 0.61 C ATOM 1933 CG LYS B 45 9.779 8.991 -1.293 1.00 0.75 C ATOM 1934 CD LYS B 45 9.861 9.497 0.139 1.00 0.96 C ATOM 1935 CE LYS B 45 11.032 10.446 0.335 1.00 1.30 C ATOM 1936 NZ LYS B 45 10.583 11.837 0.604 1.00 1.74 N ATOM 0 H LYS B 45 8.763 12.395 -2.443 1.00 0.52 H new ATOM 0 HA LYS B 45 11.005 10.749 -2.670 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.449 10.640 -1.571 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.366 9.429 -2.834 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.263 8.031 -1.312 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.784 8.820 -1.678 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.933 10.006 0.398 1.00 0.96 H new ATOM 0 HD3 LYS B 45 9.961 8.651 0.819 1.00 0.96 H new ATOM 0 HE2 LYS B 45 11.647 10.097 1.165 1.00 1.30 H new ATOM 0 HE3 LYS B 45 11.661 10.434 -0.555 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 11.341 12.502 0.350 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 9.737 12.044 0.036 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 10.356 11.939 1.614 1.00 1.74 H new ATOM 1950 N HIS B 46 9.142 10.837 -5.337 1.00 0.52 N ATOM 1951 CA HIS B 46 9.089 10.402 -6.726 1.00 0.55 C ATOM 1952 C HIS B 46 10.213 11.027 -7.539 1.00 0.56 C ATOM 1953 O HIS B 46 10.849 10.348 -8.343 1.00 0.58 O ATOM 1954 CB HIS B 46 7.738 10.724 -7.362 1.00 0.59 C ATOM 1955 CG HIS B 46 7.384 9.802 -8.493 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.810 10.233 -9.668 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.532 8.462 -8.623 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.616 9.203 -10.468 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.047 8.113 -9.860 1.00 0.99 N ATOM 0 H HIS B 46 8.486 11.580 -5.096 1.00 0.52 H new ATOM 0 HA HIS B 46 9.218 9.320 -6.729 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.962 10.668 -6.599 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.751 11.750 -7.729 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.954 7.791 -7.889 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.178 9.244 -11.454 1.00 1.07 H new ATOM 0 HE2 HIS B 46 7.024 7.169 -10.245 1.00 0.99 H new ATOM 1968 N THR B 47 10.477 12.307 -7.312 1.00 0.59 N ATOM 1969 CA THR B 47 11.556 12.991 -8.015 1.00 0.64 C ATOM 1970 C THR B 47 12.912 12.425 -7.609 1.00 0.62 C ATOM 1971 O THR B 47 13.738 12.097 -8.460 1.00 0.65 O ATOM 1972 CB THR B 47 11.532 14.502 -7.736 1.00 0.71 C ATOM 1973 OG1 THR B 47 10.346 14.840 -7.012 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.579 15.295 -9.033 1.00 0.79 C ATOM 0 H THR B 47 9.963 12.890 -6.651 1.00 0.59 H new ATOM 0 HA THR B 47 11.402 12.827 -9.082 1.00 0.64 H new ATOM 0 HB THR B 47 12.411 14.755 -7.143 1.00 0.71 H new ATOM 0 HG1 THR B 47 10.335 15.804 -6.834 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.561 16.361 -8.808 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.494 15.054 -9.574 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.716 15.039 -9.647 1.00 0.79 H new ATOM 1982 N ARG B 48 13.098 12.232 -6.309 1.00 0.59 N ATOM 1983 CA ARG B 48 14.327 11.643 -5.795 1.00 0.61 C ATOM 1984 C ARG B 48 14.466 10.206 -6.273 1.00 0.54 C ATOM 1985 O ARG B 48 15.566 9.742 -6.560 1.00 0.56 O ATOM 1986 CB ARG B 48 14.351 11.684 -4.272 1.00 0.66 C ATOM 1987 CG ARG B 48 15.689 12.120 -3.701 1.00 0.93 C ATOM 1988 CD ARG B 48 15.543 12.619 -2.277 1.00 1.46 C ATOM 1989 NE ARG B 48 15.213 14.043 -2.230 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.055 14.995 -1.831 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.251 14.673 -1.351 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.680 16.268 -1.874 1.00 2.26 N ATOM 0 H ARG B 48 12.414 12.475 -5.592 1.00 0.59 H new ATOM 0 HA ARG B 48 15.166 12.228 -6.173 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.576 12.366 -3.922 1.00 0.66 H new ATOM 0 HB3 ARG B 48 14.104 10.695 -3.885 1.00 0.66 H new ATOM 0 HG2 ARG B 48 16.387 11.284 -3.726 1.00 0.93 H new ATOM 0 HG3 ARG B 48 16.113 12.908 -4.323 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.764 12.049 -1.770 1.00 1.46 H new ATOM 0 HD3 ARG B 48 16.471 12.443 -1.734 1.00 1.46 H new ATOM 0 HE ARG B 48 14.277 14.326 -2.522 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.528 13.693 -1.287 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.892 15.405 -1.047 1.00 1.82 H new ATOM 0 HH21 ARG B 48 14.750 16.514 -2.212 1.00 2.26 H new ATOM 0 HH22 ARG B 48 16.322 16.999 -1.569 1.00 2.26 H new ATOM 2006 N PHE B 49 13.339 9.516 -6.393 1.00 0.49 N ATOM 2007 CA PHE B 49 13.335 8.150 -6.892 1.00 0.45 C ATOM 2008 C PHE B 49 13.769 8.120 -8.349 1.00 0.47 C ATOM 2009 O PHE B 49 14.584 7.292 -8.743 1.00 0.48 O ATOM 2010 CB PHE B 49 11.949 7.525 -6.753 1.00 0.48 C ATOM 2011 CG PHE B 49 11.990 6.104 -6.288 1.00 0.38 C ATOM 2012 CD1 PHE B 49 12.055 5.804 -4.938 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.978 5.069 -7.202 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.105 4.492 -4.512 1.00 0.87 C ATOM 2015 CE2 PHE B 49 12.025 3.759 -6.783 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.091 3.469 -5.437 1.00 0.85 C ATOM 0 H PHE B 49 12.418 9.881 -6.151 1.00 0.49 H new ATOM 0 HA PHE B 49 14.040 7.570 -6.296 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.360 8.114 -6.050 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.438 7.572 -7.715 1.00 0.48 H new ATOM 0 HD1 PHE B 49 12.067 6.603 -4.212 1.00 0.83 H new ATOM 0 HD2 PHE B 49 11.931 5.290 -8.258 1.00 1.06 H new ATOM 0 HE1 PHE B 49 12.155 4.267 -3.457 1.00 0.87 H new ATOM 0 HE2 PHE B 49 12.010 2.959 -7.508 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.132 2.441 -5.107 1.00 0.85 H new ATOM 2026 N LYS B 50 13.254 9.059 -9.131 1.00 0.50 N ATOM 2027 CA LYS B 50 13.621 9.174 -10.536 1.00 0.54 C ATOM 2028 C LYS B 50 15.105 9.487 -10.670 1.00 0.53 C ATOM 2029 O LYS B 50 15.796 8.930 -11.529 1.00 0.52 O ATOM 2030 CB LYS B 50 12.785 10.260 -11.217 1.00 0.63 C ATOM 2031 CG LYS B 50 11.402 9.792 -11.641 1.00 0.91 C ATOM 2032 CD LYS B 50 11.472 8.507 -12.449 1.00 1.54 C ATOM 2033 CE LYS B 50 11.137 8.751 -13.909 1.00 2.02 C ATOM 2034 NZ LYS B 50 12.175 8.201 -14.814 1.00 2.55 N ATOM 0 H LYS B 50 12.578 9.755 -8.815 1.00 0.50 H new ATOM 0 HA LYS B 50 13.420 8.222 -11.027 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.680 11.105 -10.537 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.321 10.622 -12.094 1.00 0.63 H new ATOM 0 HG2 LYS B 50 10.784 9.634 -10.757 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.919 10.569 -12.233 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.472 8.080 -12.370 1.00 1.54 H new ATOM 0 HD3 LYS B 50 10.779 7.776 -12.033 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.174 8.296 -14.142 1.00 2.02 H new ATOM 0 HE3 LYS B 50 11.034 9.822 -14.084 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.909 8.388 -15.802 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 13.089 8.654 -14.610 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.256 7.175 -14.666 1.00 2.55 H new ATOM 2048 N ALA B 51 15.603 10.318 -9.762 1.00 0.56 N ATOM 2049 CA ALA B 51 17.019 10.642 -9.714 1.00 0.61 C ATOM 2050 C ALA B 51 17.834 9.409 -9.342 1.00 0.57 C ATOM 2051 O ALA B 51 18.839 9.106 -9.980 1.00 0.58 O ATOM 2052 CB ALA B 51 17.267 11.766 -8.722 1.00 0.71 C ATOM 0 H ALA B 51 15.042 10.780 -9.047 1.00 0.56 H new ATOM 0 HA ALA B 51 17.335 10.976 -10.702 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.331 11.999 -8.695 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.709 12.651 -9.028 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.939 11.455 -7.730 1.00 0.71 H new ATOM 2058 N ALA B 52 17.362 8.676 -8.337 1.00 0.55 N ATOM 2059 CA ALA B 52 18.020 7.451 -7.895 1.00 0.59 C ATOM 2060 C ALA B 52 18.060 6.414 -9.016 1.00 0.51 C ATOM 2061 O ALA B 52 19.080 5.760 -9.228 1.00 0.54 O ATOM 2062 CB ALA B 52 17.318 6.883 -6.672 1.00 0.67 C ATOM 0 H ALA B 52 16.521 8.912 -7.811 1.00 0.55 H new ATOM 0 HA ALA B 52 19.047 7.698 -7.626 1.00 0.59 H new ATOM 0 HB1 ALA B 52 17.821 5.970 -6.355 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.348 7.613 -5.863 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.280 6.658 -6.920 1.00 0.67 H new ATOM 2068 N CYS B 53 16.961 6.308 -9.761 1.00 0.48 N ATOM 2069 CA CYS B 53 16.884 5.385 -10.891 1.00 0.53 C ATOM 2070 C CYS B 53 17.967 5.698 -11.916 1.00 0.50 C ATOM 2071 O CYS B 53 18.616 4.797 -12.447 1.00 0.56 O ATOM 2072 CB CYS B 53 15.508 5.463 -11.561 1.00 0.68 C ATOM 2073 SG CYS B 53 14.126 5.042 -10.475 1.00 1.15 S ATOM 0 H CYS B 53 16.112 6.850 -9.602 1.00 0.48 H new ATOM 0 HA CYS B 53 17.037 4.376 -10.509 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.360 6.473 -11.943 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.497 4.792 -12.420 1.00 0.68 H new ATOM 0 HG CYS B 53 14.058 5.904 -9.505 1.00 1.15 H new ATOM 2079 N ALA B 54 18.170 6.982 -12.175 1.00 0.51 N ATOM 2080 CA ALA B 54 19.174 7.422 -13.133 1.00 0.59 C ATOM 2081 C ALA B 54 20.580 7.305 -12.553 1.00 0.59 C ATOM 2082 O ALA B 54 21.516 6.911 -13.251 1.00 0.70 O ATOM 2083 CB ALA B 54 18.894 8.851 -13.565 1.00 0.69 C ATOM 0 H ALA B 54 17.650 7.740 -11.733 1.00 0.51 H new ATOM 0 HA ALA B 54 19.119 6.771 -14.006 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.651 9.170 -14.281 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.909 8.904 -14.030 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.920 9.506 -12.694 1.00 0.69 H new ATOM 2089 N ARG B 55 20.728 7.672 -11.287 1.00 0.55 N ATOM 2090 CA ARG B 55 22.028 7.641 -10.625 1.00 0.64 C ATOM 2091 C ARG B 55 22.536 6.212 -10.483 1.00 0.59 C ATOM 2092 O ARG B 55 23.680 5.913 -10.828 1.00 0.76 O ATOM 2093 CB ARG B 55 21.946 8.314 -9.255 1.00 0.72 C ATOM 2094 CG ARG B 55 22.033 9.830 -9.322 1.00 1.03 C ATOM 2095 CD ARG B 55 22.061 10.454 -7.936 1.00 1.37 C ATOM 2096 NE ARG B 55 23.325 11.143 -7.671 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.852 11.307 -6.457 1.00 2.64 C ATOM 2098 NH1 ARG B 55 23.192 10.893 -5.379 1.00 2.89 N ATOM 2099 NH2 ARG B 55 25.036 11.892 -6.326 1.00 3.60 N ATOM 0 H ARG B 55 19.963 7.996 -10.696 1.00 0.55 H new ATOM 0 HA ARG B 55 22.735 8.192 -11.245 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.009 8.032 -8.775 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.752 7.939 -8.625 1.00 0.72 H new ATOM 0 HG2 ARG B 55 22.930 10.119 -9.869 1.00 1.03 H new ATOM 0 HG3 ARG B 55 21.181 10.219 -9.879 1.00 1.03 H new ATOM 0 HD2 ARG B 55 21.236 11.160 -7.839 1.00 1.37 H new ATOM 0 HD3 ARG B 55 21.907 9.678 -7.186 1.00 1.37 H new ATOM 0 HE ARG B 55 23.837 11.523 -8.468 1.00 1.97 H new ATOM 0 HH11 ARG B 55 22.280 10.448 -5.479 1.00 2.89 H new ATOM 0 HH12 ARG B 55 23.598 11.020 -4.452 1.00 2.89 H new ATOM 0 HH21 ARG B 55 25.540 12.214 -7.152 1.00 3.60 H new ATOM 0 HH22 ARG B 55 25.442 12.019 -5.399 1.00 3.60 H new ATOM 2113 N LYS B 56 21.662 5.320 -10.036 1.00 0.47 N ATOM 2114 CA LYS B 56 22.001 3.908 -9.908 1.00 0.52 C ATOM 2115 C LYS B 56 22.082 3.253 -11.285 1.00 0.51 C ATOM 2116 O LYS B 56 22.951 2.419 -11.541 1.00 0.60 O ATOM 2117 CB LYS B 56 20.966 3.186 -9.039 1.00 0.61 C ATOM 2118 CG LYS B 56 21.192 3.366 -7.546 1.00 0.74 C ATOM 2119 CD LYS B 56 22.480 2.696 -7.094 1.00 0.91 C ATOM 2120 CE LYS B 56 22.757 2.934 -5.620 1.00 1.62 C ATOM 2121 NZ LYS B 56 24.053 3.626 -5.408 1.00 1.85 N ATOM 0 H LYS B 56 20.709 5.550 -9.755 1.00 0.47 H new ATOM 0 HA LYS B 56 22.976 3.830 -9.426 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.971 3.552 -9.294 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.985 2.122 -9.275 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.230 4.429 -7.308 1.00 0.74 H new ATOM 0 HG3 LYS B 56 20.350 2.946 -6.996 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.417 1.624 -7.283 1.00 0.91 H new ATOM 0 HD3 LYS B 56 23.313 3.075 -7.686 1.00 0.91 H new ATOM 0 HE2 LYS B 56 21.952 3.530 -5.190 1.00 1.62 H new ATOM 0 HE3 LYS B 56 22.764 1.980 -5.093 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 24.207 3.771 -4.390 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.824 3.045 -5.796 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.038 4.547 -5.890 1.00 1.85 H new ATOM 2135 N GLY B 57 21.178 3.653 -12.171 1.00 0.46 N ATOM 2136 CA GLY B 57 21.154 3.098 -13.509 1.00 0.51 C ATOM 2137 C GLY B 57 20.326 1.834 -13.577 1.00 0.59 C ATOM 2138 O GLY B 57 20.867 0.740 -13.748 1.00 0.75 O ATOM 0 H GLY B 57 20.460 4.353 -11.985 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.749 3.836 -14.202 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.173 2.883 -13.832 1.00 0.51 H new ATOM 2142 N THR B 58 19.023 1.978 -13.376 1.00 0.63 N ATOM 2143 CA THR B 58 18.122 0.838 -13.352 1.00 0.77 C ATOM 2144 C THR B 58 16.662 1.293 -13.457 1.00 0.62 C ATOM 2145 O THR B 58 16.383 2.477 -13.669 1.00 0.57 O ATOM 2146 CB THR B 58 18.340 0.003 -12.067 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.720 -1.285 -12.192 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.800 0.721 -10.836 1.00 0.92 C ATOM 0 H THR B 58 18.567 2.878 -13.227 1.00 0.63 H new ATOM 0 HA THR B 58 18.344 0.210 -14.215 1.00 0.77 H new ATOM 0 HB THR B 58 19.415 -0.128 -11.940 1.00 1.02 H new ATOM 0 HG1 THR B 58 17.765 -1.755 -11.333 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.970 0.106 -9.952 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.312 1.676 -10.718 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.731 0.895 -10.956 1.00 0.92 H new ATOM 2156 N SER B 59 15.739 0.344 -13.350 1.00 0.66 N ATOM 2157 CA SER B 59 14.319 0.630 -13.453 1.00 0.66 C ATOM 2158 C SER B 59 13.749 1.014 -12.091 1.00 0.62 C ATOM 2159 O SER B 59 14.326 0.676 -11.054 1.00 0.66 O ATOM 2160 CB SER B 59 13.592 -0.588 -14.019 1.00 0.78 C ATOM 2161 OG SER B 59 14.466 -1.704 -14.107 1.00 0.87 O ATOM 0 H SER B 59 15.956 -0.640 -13.190 1.00 0.66 H new ATOM 0 HA SER B 59 14.173 1.474 -14.127 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.741 -0.836 -13.384 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.195 -0.353 -15.007 1.00 0.78 H new ATOM 0 HG SER B 59 14.641 -2.054 -13.209 1.00 0.87 H new ATOM 2167 N ILE B 60 12.656 1.768 -12.103 1.00 0.66 N ATOM 2168 CA ILE B 60 12.048 2.283 -10.879 1.00 0.73 C ATOM 2169 C ILE B 60 11.733 1.166 -9.879 1.00 0.76 C ATOM 2170 O ILE B 60 12.030 1.284 -8.690 1.00 0.85 O ATOM 2171 CB ILE B 60 10.764 3.098 -11.190 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.072 3.537 -9.897 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.798 2.304 -12.063 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.626 4.985 -9.910 1.00 0.91 C ATOM 0 H ILE B 60 12.167 2.039 -12.956 1.00 0.66 H new ATOM 0 HA ILE B 60 12.782 2.946 -10.420 1.00 0.73 H new ATOM 0 HB ILE B 60 11.067 3.987 -11.744 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.205 2.900 -9.724 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.753 3.383 -9.060 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.910 2.904 -12.262 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.283 2.051 -13.006 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.509 1.389 -11.547 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.144 5.226 -8.962 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.492 5.631 -10.051 1.00 0.91 H new ATOM 0 HD13 ILE B 60 8.920 5.141 -10.726 1.00 0.91 H new ATOM 2186 N THR B 61 11.149 0.078 -10.362 1.00 0.79 N ATOM 2187 CA THR B 61 10.749 -1.025 -9.502 1.00 0.85 C ATOM 2188 C THR B 61 11.955 -1.713 -8.849 1.00 0.77 C ATOM 2189 O THR B 61 11.867 -2.203 -7.718 1.00 0.75 O ATOM 2190 CB THR B 61 9.925 -2.048 -10.298 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.264 -1.381 -11.383 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.889 -2.722 -9.413 1.00 1.14 C ATOM 0 H THR B 61 10.941 -0.064 -11.351 1.00 0.79 H new ATOM 0 HA THR B 61 10.136 -0.609 -8.703 1.00 0.85 H new ATOM 0 HB THR B 61 10.600 -2.814 -10.681 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.738 -2.031 -11.895 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.320 -3.441 -10.002 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.390 -3.239 -8.595 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.213 -1.970 -9.007 1.00 1.14 H new ATOM 2200 N ASP B 62 13.088 -1.710 -9.543 1.00 0.74 N ATOM 2201 CA ASP B 62 14.308 -2.312 -9.019 1.00 0.73 C ATOM 2202 C ASP B 62 14.859 -1.486 -7.864 1.00 0.62 C ATOM 2203 O ASP B 62 15.346 -2.037 -6.877 1.00 0.61 O ATOM 2204 CB ASP B 62 15.359 -2.441 -10.124 1.00 0.82 C ATOM 2205 CG ASP B 62 16.605 -3.182 -9.673 1.00 1.16 C ATOM 2206 OD1 ASP B 62 16.482 -4.232 -9.007 1.00 1.68 O ATOM 2207 OD2 ASP B 62 17.720 -2.728 -10.004 1.00 1.81 O ATOM 0 H ASP B 62 13.187 -1.297 -10.470 1.00 0.74 H new ATOM 0 HA ASP B 62 14.066 -3.308 -8.649 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.921 -2.962 -10.975 1.00 0.82 H new ATOM 0 HB3 ASP B 62 15.640 -1.446 -10.469 1.00 0.82 H new ATOM 2212 N VAL B 63 14.680 -0.171 -7.946 1.00 0.60 N ATOM 2213 CA VAL B 63 15.089 0.722 -6.868 1.00 0.57 C ATOM 2214 C VAL B 63 14.256 0.473 -5.620 1.00 0.56 C ATOM 2215 O VAL B 63 14.781 0.481 -4.507 1.00 0.59 O ATOM 2216 CB VAL B 63 14.963 2.211 -7.257 1.00 0.62 C ATOM 2217 CG1 VAL B 63 15.741 3.086 -6.286 1.00 0.81 C ATOM 2218 CG2 VAL B 63 15.441 2.443 -8.678 1.00 1.01 C ATOM 0 H VAL B 63 14.255 0.299 -8.746 1.00 0.60 H new ATOM 0 HA VAL B 63 16.139 0.505 -6.671 1.00 0.57 H new ATOM 0 HB VAL B 63 13.909 2.485 -7.203 1.00 0.62 H new ATOM 0 HG11 VAL B 63 15.640 4.132 -6.577 1.00 0.81 H new ATOM 0 HG12 VAL B 63 15.348 2.950 -5.279 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.794 2.804 -6.306 1.00 0.81 H new ATOM 0 HG21 VAL B 63 15.342 3.499 -8.927 1.00 1.01 H new ATOM 0 HG22 VAL B 63 16.486 2.147 -8.763 1.00 1.01 H new ATOM 0 HG23 VAL B 63 14.839 1.850 -9.366 1.00 1.01 H new ATOM 2228 N VAL B 64 12.965 0.208 -5.807 1.00 0.55 N ATOM 2229 CA VAL B 64 12.088 -0.079 -4.679 1.00 0.56 C ATOM 2230 C VAL B 64 12.542 -1.345 -3.970 1.00 0.55 C ATOM 2231 O VAL B 64 12.600 -1.400 -2.742 1.00 0.57 O ATOM 2232 CB VAL B 64 10.607 -0.237 -5.086 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.702 0.053 -3.899 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.249 0.673 -6.249 1.00 0.67 C ATOM 0 H VAL B 64 12.509 0.186 -6.719 1.00 0.55 H new ATOM 0 HA VAL B 64 12.157 0.781 -4.013 1.00 0.56 H new ATOM 0 HB VAL B 64 10.459 -1.268 -5.408 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.660 -0.062 -4.199 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.926 -0.644 -3.092 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.870 1.073 -3.554 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.199 0.536 -6.509 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.419 1.711 -5.964 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.871 0.426 -7.109 1.00 0.67 H new ATOM 2244 N ASN B 65 12.956 -2.326 -4.758 1.00 0.55 N ATOM 2245 CA ASN B 65 13.478 -3.573 -4.218 1.00 0.56 C ATOM 2246 C ASN B 65 14.812 -3.340 -3.504 1.00 0.56 C ATOM 2247 O ASN B 65 15.145 -4.043 -2.550 1.00 0.56 O ATOM 2248 CB ASN B 65 13.644 -4.610 -5.330 1.00 0.58 C ATOM 2249 CG ASN B 65 13.224 -5.998 -4.892 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.625 -6.475 -3.835 1.00 0.86 O ATOM 2251 ND2 ASN B 65 12.411 -6.660 -5.703 1.00 1.46 N ATOM 0 H ASN B 65 12.941 -2.282 -5.777 1.00 0.55 H new ATOM 0 HA ASN B 65 12.762 -3.954 -3.490 1.00 0.56 H new ATOM 0 HB2 ASN B 65 13.052 -4.310 -6.194 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.686 -4.632 -5.650 1.00 0.58 H new ATOM 0 HD21 ASN B 65 12.098 -7.599 -5.456 1.00 1.46 H new ATOM 0 HD22 ASN B 65 12.099 -6.231 -6.574 1.00 1.46 H new ATOM 2258 N GLN B 66 15.542 -2.317 -3.938 1.00 0.58 N ATOM 2259 CA GLN B 66 16.820 -1.961 -3.321 1.00 0.60 C ATOM 2260 C GLN B 66 16.616 -1.406 -1.914 1.00 0.58 C ATOM 2261 O GLN B 66 17.340 -1.773 -0.982 1.00 0.61 O ATOM 2262 CB GLN B 66 17.557 -0.932 -4.177 1.00 0.65 C ATOM 2263 CG GLN B 66 18.416 -1.551 -5.263 1.00 0.84 C ATOM 2264 CD GLN B 66 19.746 -2.053 -4.740 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.339 -1.458 -3.841 1.00 2.01 O ATOM 2266 NE2 GLN B 66 20.221 -3.153 -5.297 1.00 1.70 N ATOM 0 H GLN B 66 15.271 -1.717 -4.717 1.00 0.58 H new ATOM 0 HA GLN B 66 17.420 -2.868 -3.252 1.00 0.60 H new ATOM 0 HB2 GLN B 66 16.828 -0.265 -4.638 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.187 -0.319 -3.532 1.00 0.65 H new ATOM 0 HG2 GLN B 66 17.875 -2.379 -5.721 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.593 -0.813 -6.046 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.697 -3.616 -6.040 1.00 1.70 H new ATOM 0 HE22 GLN B 66 21.111 -3.540 -4.984 1.00 1.70 H new ATOM 2275 N LEU B 67 15.610 -0.548 -1.748 1.00 0.55 N ATOM 2276 CA LEU B 67 15.296 -0.004 -0.431 1.00 0.55 C ATOM 2277 C LEU B 67 14.880 -1.134 0.503 1.00 0.50 C ATOM 2278 O LEU B 67 15.317 -1.200 1.651 1.00 0.50 O ATOM 2279 CB LEU B 67 14.180 1.044 -0.489 1.00 0.57 C ATOM 2280 CG LEU B 67 13.858 1.618 -1.867 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.361 1.744 -2.040 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.517 2.972 -2.058 1.00 0.67 C ATOM 0 H LEU B 67 15.006 -0.219 -2.501 1.00 0.55 H new ATOM 0 HA LEU B 67 16.194 0.487 -0.057 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.272 0.598 -0.084 1.00 0.57 H new ATOM 0 HB3 LEU B 67 14.452 1.869 0.170 1.00 0.57 H new ATOM 0 HG LEU B 67 14.251 0.936 -2.621 1.00 0.64 H new ATOM 0 HD11 LEU B 67 12.142 2.154 -3.026 1.00 0.97 H new ATOM 0 HD12 LEU B 67 11.900 0.761 -1.945 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.961 2.408 -1.274 1.00 0.97 H new ATOM 0 HD21 LEU B 67 14.272 3.359 -3.047 1.00 0.67 H new ATOM 0 HD22 LEU B 67 14.155 3.664 -1.297 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.598 2.867 -1.967 1.00 0.67 H new ATOM 2294 N VAL B 68 14.073 -2.055 -0.025 1.00 0.48 N ATOM 2295 CA VAL B 68 13.629 -3.212 0.743 1.00 0.45 C ATOM 2296 C VAL B 68 14.803 -4.112 1.097 1.00 0.42 C ATOM 2297 O VAL B 68 14.838 -4.689 2.179 1.00 0.40 O ATOM 2298 CB VAL B 68 12.579 -4.047 -0.015 1.00 0.46 C ATOM 2299 CG1 VAL B 68 12.051 -5.168 0.867 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.439 -3.169 -0.487 1.00 1.07 C ATOM 0 H VAL B 68 13.716 -2.020 -0.980 1.00 0.48 H new ATOM 0 HA VAL B 68 13.173 -2.819 1.651 1.00 0.45 H new ATOM 0 HB VAL B 68 13.060 -4.489 -0.888 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.311 -5.747 0.315 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.875 -5.818 1.161 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.589 -4.743 1.758 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.708 -3.777 -1.020 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.962 -2.699 0.373 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.825 -2.398 -1.154 1.00 1.07 H new ATOM 2310 N ASP B 69 15.762 -4.217 0.182 1.00 0.47 N ATOM 2311 CA ASP B 69 16.955 -5.030 0.404 1.00 0.49 C ATOM 2312 C ASP B 69 17.645 -4.611 1.685 1.00 0.48 C ATOM 2313 O ASP B 69 17.819 -5.405 2.609 1.00 0.49 O ATOM 2314 CB ASP B 69 17.948 -4.881 -0.752 1.00 0.60 C ATOM 2315 CG ASP B 69 17.883 -6.037 -1.726 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.543 -7.164 -1.302 1.00 1.09 O ATOM 2317 OD2 ASP B 69 18.175 -5.833 -2.923 1.00 1.46 O ATOM 0 H ASP B 69 15.737 -3.748 -0.723 1.00 0.47 H new ATOM 0 HA ASP B 69 16.634 -6.069 0.472 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.745 -3.951 -1.283 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.959 -4.805 -0.351 1.00 0.60 H new ATOM 2322 N ASN B 70 18.008 -3.343 1.735 1.00 0.55 N ATOM 2323 CA ASN B 70 18.702 -2.784 2.882 1.00 0.61 C ATOM 2324 C ASN B 70 17.828 -2.843 4.130 1.00 0.56 C ATOM 2325 O ASN B 70 18.304 -3.181 5.209 1.00 0.60 O ATOM 2326 CB ASN B 70 19.129 -1.345 2.586 1.00 0.74 C ATOM 2327 CG ASN B 70 20.284 -1.289 1.601 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.441 -1.141 1.992 1.00 1.88 O ATOM 2329 ND2 ASN B 70 19.978 -1.408 0.314 1.00 2.19 N ATOM 0 H ASN B 70 17.832 -2.674 0.986 1.00 0.55 H new ATOM 0 HA ASN B 70 19.594 -3.381 3.072 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.281 -0.790 2.184 1.00 0.74 H new ATOM 0 HB3 ASN B 70 19.420 -0.854 3.515 1.00 0.74 H new ATOM 0 HD21 ASN B 70 20.715 -1.378 -0.390 1.00 2.19 H new ATOM 0 HD22 ASN B 70 19.006 -1.529 0.030 1.00 2.19 H new ATOM 2336 N TRP B 71 16.541 -2.567 3.967 1.00 0.54 N ATOM 2337 CA TRP B 71 15.601 -2.621 5.082 1.00 0.54 C ATOM 2338 C TRP B 71 15.492 -4.033 5.649 1.00 0.47 C ATOM 2339 O TRP B 71 15.696 -4.253 6.837 1.00 0.53 O ATOM 2340 CB TRP B 71 14.216 -2.155 4.629 1.00 0.57 C ATOM 2341 CG TRP B 71 13.236 -1.995 5.754 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.045 -0.879 6.510 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.301 -2.970 6.237 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.066 -1.099 7.444 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.591 -2.373 7.296 1.00 0.75 C ATOM 2346 CE3 TRP B 71 11.991 -4.286 5.879 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 10.600 -3.048 8.003 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.003 -4.952 6.578 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.314 -4.331 7.630 1.00 0.74 C ATOM 0 H TRP B 71 16.123 -2.304 3.075 1.00 0.54 H new ATOM 0 HA TRP B 71 15.978 -1.959 5.862 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.315 -1.203 4.107 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.818 -2.872 3.911 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.587 0.047 6.391 1.00 0.81 H new ATOM 0 HE1 TRP B 71 11.744 -0.423 8.137 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.515 -4.773 5.070 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.075 -2.574 8.819 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.757 -5.969 6.310 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.544 -4.877 8.155 1.00 0.74 H new ATOM 2360 N LEU B 72 15.056 -4.956 4.811 1.00 0.42 N ATOM 2361 CA LEU B 72 14.745 -6.314 5.238 1.00 0.44 C ATOM 2362 C LEU B 72 15.934 -7.009 5.886 1.00 0.55 C ATOM 2363 O LEU B 72 15.769 -7.770 6.837 1.00 0.65 O ATOM 2364 CB LEU B 72 14.271 -7.130 4.038 1.00 0.50 C ATOM 2365 CG LEU B 72 13.194 -8.167 4.346 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.860 -7.729 3.773 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.590 -9.523 3.791 1.00 0.60 C ATOM 0 H LEU B 72 14.907 -4.789 3.816 1.00 0.42 H new ATOM 0 HA LEU B 72 13.958 -6.246 5.989 1.00 0.44 H new ATOM 0 HB2 LEU B 72 13.889 -6.445 3.281 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.130 -7.640 3.602 1.00 0.50 H new ATOM 0 HG LEU B 72 13.095 -8.253 5.428 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.102 -8.479 4.001 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.570 -6.775 4.213 1.00 0.58 H new ATOM 0 HD13 LEU B 72 11.947 -7.618 2.692 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.811 -10.251 4.019 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.715 -9.452 2.711 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.529 -9.842 4.244 1.00 0.60 H new ATOM 2379 N LYS B 73 17.106 -6.839 5.303 1.00 0.63 N ATOM 2380 CA LYS B 73 18.270 -7.581 5.748 1.00 0.83 C ATOM 2381 C LYS B 73 18.985 -6.889 6.910 1.00 0.97 C ATOM 2382 O LYS B 73 19.673 -7.544 7.691 1.00 1.13 O ATOM 2383 CB LYS B 73 19.217 -7.808 4.568 1.00 0.96 C ATOM 2384 CG LYS B 73 18.519 -8.427 3.361 1.00 0.92 C ATOM 2385 CD LYS B 73 19.206 -8.046 2.058 1.00 1.16 C ATOM 2386 CE LYS B 73 19.207 -9.198 1.068 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.460 -8.739 -0.325 1.00 1.79 N ATOM 0 H LYS B 73 17.276 -6.199 4.527 1.00 0.63 H new ATOM 0 HA LYS B 73 17.934 -8.547 6.125 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.662 -6.856 4.276 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.033 -8.458 4.883 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.509 -9.512 3.463 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.480 -8.099 3.334 1.00 0.92 H new ATOM 0 HD2 LYS B 73 18.700 -7.187 1.617 1.00 1.16 H new ATOM 0 HD3 LYS B 73 20.232 -7.741 2.263 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.970 -9.921 1.355 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.247 -9.713 1.111 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.402 -9.550 -0.974 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.747 -8.030 -0.592 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.408 -8.316 -0.384 1.00 1.79 H new ATOM 2401 N GLU B 74 18.825 -5.574 7.037 1.00 0.99 N ATOM 2402 CA GLU B 74 19.485 -4.845 8.120 1.00 1.22 C ATOM 2403 C GLU B 74 18.579 -4.705 9.344 1.00 1.27 C ATOM 2404 O GLU B 74 19.047 -4.780 10.480 1.00 1.50 O ATOM 2405 CB GLU B 74 19.937 -3.464 7.646 1.00 1.37 C ATOM 2406 CG GLU B 74 21.276 -3.478 6.925 1.00 1.81 C ATOM 2407 CD GLU B 74 22.445 -3.685 7.864 1.00 2.23 C ATOM 2408 OE1 GLU B 74 22.748 -4.849 8.196 1.00 2.78 O ATOM 2409 OE2 GLU B 74 23.070 -2.687 8.269 1.00 2.51 O ATOM 0 H GLU B 74 18.255 -4.999 6.417 1.00 0.99 H new ATOM 0 HA GLU B 74 20.360 -5.426 8.412 1.00 1.22 H new ATOM 0 HB2 GLU B 74 19.179 -3.051 6.980 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.003 -2.797 8.506 1.00 1.37 H new ATOM 0 HG2 GLU B 74 21.272 -4.270 6.176 1.00 1.81 H new ATOM 0 HG3 GLU B 74 21.406 -2.536 6.392 1.00 1.81 H new ATOM 2416 N ASN B 75 17.292 -4.465 9.116 1.00 1.11 N ATOM 2417 CA ASN B 75 16.346 -4.255 10.213 1.00 1.21 C ATOM 2418 C ASN B 75 16.128 -5.538 11.011 1.00 1.14 C ATOM 2419 O ASN B 75 15.781 -5.495 12.193 1.00 1.29 O ATOM 2420 CB ASN B 75 15.007 -3.712 9.683 1.00 1.28 C ATOM 2421 CG ASN B 75 13.892 -4.746 9.664 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.095 -4.829 10.594 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.820 -5.527 8.597 1.00 1.97 N ATOM 0 H ASN B 75 16.878 -4.411 8.185 1.00 1.11 H new ATOM 0 HA ASN B 75 16.777 -3.513 10.885 1.00 1.21 H new ATOM 0 HB2 ASN B 75 14.698 -2.868 10.300 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.154 -3.331 8.672 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.083 -6.229 8.527 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.502 -5.427 7.845 1.00 1.97 H new ATOM 2430 N GLU B 76 16.375 -6.675 10.377 1.00 1.01 N ATOM 2431 CA GLU B 76 16.204 -7.964 11.030 1.00 1.08 C ATOM 2432 C GLU B 76 17.553 -8.597 11.365 1.00 1.38 C ATOM 2433 O GLU B 76 18.384 -7.922 12.005 1.00 1.93 O ATOM 2434 CB GLU B 76 15.381 -8.894 10.134 1.00 1.36 C ATOM 2435 CG GLU B 76 13.893 -8.895 10.457 1.00 1.88 C ATOM 2436 CD GLU B 76 13.388 -10.264 10.857 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.420 -11.180 10.012 1.00 2.52 O ATOM 2438 OE2 GLU B 76 12.970 -10.436 12.022 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.779 -9.774 11.000 1.00 1.90 O ATOM 0 H GLU B 76 16.695 -6.731 9.410 1.00 1.01 H new ATOM 0 HA GLU B 76 15.671 -7.808 11.968 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.518 -8.597 9.094 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.765 -9.910 10.229 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.699 -8.189 11.265 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.336 -8.545 9.588 1.00 1.88 H new TER 2446 GLU B 76