USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1208 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 135 LYS NZ :NH3+ 154:sc= 0.719 (180deg=-0.0865) USER MOD Set 1.2: A 148 SER OG : rot -160:sc= 0.718 USER MOD Set 2.1: A 119 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.942) USER MOD Set 2.2: A 121 TYR OH : rot -119:sc= 0.262 USER MOD Set 3.1: A 59 TYR OH : rot 119:sc= 0.525 USER MOD Set 3.2: A 69 THR OG1 : rot -130:sc= -0.729! USER MOD Set 4.1: A 25 ASN : amide:sc= -5.03! C(o=-4.5!,f=-6.7!) USER MOD Set 4.2: A 29 ASN : amide:sc= 0.0653 K(o=-4.5,f=-7.2) USER MOD Set 4.3: A 153 GLN : amide:sc= 0.47 K(o=-4.5,f=-7.2!) USER MOD Single : A 9 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.91) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -6.09! C(o=-6.1!,f=-14!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc=-0.00572 (180deg=-0.0893) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -5.44! C(o=-5.4!,f=-9.5!) USER MOD Single : A 31 SER OG : rot 23:sc= -1.97! USER MOD Single : A 36 ASN : amide:sc= 0.188 K(o=0.19,f=-5.5!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 47 ASN : amide:sc= -0.648 K(o=-0.65,f=-4.3!) USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= 1.17 (180deg=0.546) USER MOD Single : A 56 MET CE :methyl 174:sc= 0 (180deg=-0.0217) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 61 SER OG : rot -149:sc= -0.85 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 0.796 (180deg=-0.166) USER MOD Single : A 75 SER OG : rot -83:sc= 0.397 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -167:sc= -1.09 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.212 F(o=-2.3!,f=-0.21) USER MOD Single : A 80 TYR OH : rot -90:sc= -0.42 USER MOD Single : A 82 THR OG1 : rot -20:sc= -4.05! USER MOD Single : A 84 GLN :FLIP amide:sc= -0.52 F(o=-1.8,f=-0.52) USER MOD Single : A 88 GLN :FLIP amide:sc= -2.75! C(o=-3.3!,f=-2.8!) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.11) USER MOD Single : A 95 MET CE :methyl -136:sc= -0.0846 (180deg=-3.1!) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.0212 (180deg=-0.243) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 108 ASN : amide:sc= -0.792 K(o=-0.79,f=-1.6) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.05 F(o=-2.6!,f=-1) USER MOD Single : A 123 THR OG1 : rot -61:sc= 1.47 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.0083) USER MOD Single : A 129 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.82) USER MOD Single : A 134 THR OG1 : rot -94:sc= 0.675 USER MOD Single : A 136 GLN : amide:sc= -10.2! C(o=-10!,f=-19!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc= 0.198 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 157 ASN : amide:sc= -4.23! C(o=-4.2!,f=-6.3!) USER MOD Single : A 158 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 9 25.143 2.453 -2.208 1.00 4.20 N ATOM 2 CA ASN A 9 23.874 2.383 -2.967 1.00 4.32 C ATOM 3 C ASN A 9 22.817 1.661 -2.151 1.00 4.11 C ATOM 4 O ASN A 9 22.978 1.469 -0.945 1.00 4.02 O ATOM 5 CB ASN A 9 24.079 1.653 -4.301 1.00 4.41 C ATOM 6 CG ASN A 9 24.905 2.451 -5.287 1.00 4.99 C ATOM 7 OD1 ASN A 9 24.890 3.683 -5.282 1.00 5.29 O ATOM 8 ND2 ASN A 9 25.632 1.754 -6.145 1.00 5.50 N ATOM 0 HA ASN A 9 23.542 3.401 -3.171 1.00 4.32 H new ATOM 0 HB2 ASN A 9 24.568 0.697 -4.115 1.00 4.41 H new ATOM 0 HB3 ASN A 9 23.107 1.433 -4.743 1.00 4.41 H new ATOM 0 HD21 ASN A 9 26.208 2.236 -6.835 1.00 5.50 H new ATOM 0 HD22 ASN A 9 25.617 0.735 -6.116 1.00 5.50 H new ATOM 17 N VAL A 10 21.735 1.270 -2.805 1.00 4.35 N ATOM 18 CA VAL A 10 20.703 0.475 -2.161 1.00 4.25 C ATOM 19 C VAL A 10 21.130 -0.989 -2.125 1.00 3.43 C ATOM 20 O VAL A 10 21.599 -1.532 -3.125 1.00 3.52 O ATOM 21 CB VAL A 10 19.353 0.607 -2.904 1.00 5.19 C ATOM 22 CG1 VAL A 10 18.291 -0.287 -2.286 1.00 5.29 C ATOM 23 CG2 VAL A 10 18.887 2.053 -2.905 1.00 6.05 C ATOM 0 H VAL A 10 21.549 1.491 -3.783 1.00 4.35 H new ATOM 0 HA VAL A 10 20.571 0.845 -1.144 1.00 4.25 H new ATOM 0 HB VAL A 10 19.507 0.284 -3.934 1.00 5.19 H new ATOM 0 HG11 VAL A 10 17.355 -0.170 -2.832 1.00 5.29 H new ATOM 0 HG12 VAL A 10 18.615 -1.326 -2.339 1.00 5.29 H new ATOM 0 HG13 VAL A 10 18.141 -0.006 -1.244 1.00 5.29 H new ATOM 0 HG21 VAL A 10 17.936 2.128 -3.432 1.00 6.05 H new ATOM 0 HG22 VAL A 10 18.761 2.395 -1.878 1.00 6.05 H new ATOM 0 HG23 VAL A 10 19.629 2.674 -3.406 1.00 6.05 H new ATOM 33 N LYS A 11 20.990 -1.615 -0.967 1.00 3.01 N ATOM 34 CA LYS A 11 21.357 -3.012 -0.821 1.00 2.38 C ATOM 35 C LYS A 11 20.115 -3.864 -0.880 1.00 2.30 C ATOM 36 O LYS A 11 19.072 -3.482 -0.368 1.00 2.75 O ATOM 37 CB LYS A 11 22.124 -3.247 0.482 1.00 2.57 C ATOM 38 CG LYS A 11 23.405 -2.434 0.583 1.00 3.33 C ATOM 39 CD LYS A 11 24.158 -2.733 1.868 1.00 4.00 C ATOM 40 CE LYS A 11 25.387 -1.847 2.006 1.00 4.63 C ATOM 41 NZ LYS A 11 26.175 -2.165 3.224 1.00 5.11 N ATOM 0 H LYS A 11 20.627 -1.179 -0.119 1.00 3.01 H new ATOM 0 HA LYS A 11 22.019 -3.292 -1.640 1.00 2.38 H new ATOM 0 HB2 LYS A 11 21.478 -3.000 1.325 1.00 2.57 H new ATOM 0 HB3 LYS A 11 22.367 -4.306 0.566 1.00 2.57 H new ATOM 0 HG2 LYS A 11 24.044 -2.653 -0.273 1.00 3.33 H new ATOM 0 HG3 LYS A 11 23.166 -1.371 0.539 1.00 3.33 H new ATOM 0 HD2 LYS A 11 23.499 -2.580 2.723 1.00 4.00 H new ATOM 0 HD3 LYS A 11 24.459 -3.781 1.881 1.00 4.00 H new ATOM 0 HE2 LYS A 11 26.019 -1.966 1.126 1.00 4.63 H new ATOM 0 HE3 LYS A 11 25.078 -0.802 2.038 1.00 4.63 H new ATOM 0 HZ1 LYS A 11 27.002 -1.537 3.276 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 25.582 -2.027 4.067 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 26.494 -3.154 3.183 1.00 5.11 H new ATOM 55 N TYR A 12 20.263 -5.039 -1.456 1.00 2.26 N ATOM 56 CA TYR A 12 19.138 -5.758 -2.018 1.00 2.39 C ATOM 57 C TYR A 12 18.605 -6.859 -1.096 1.00 1.68 C ATOM 58 O TYR A 12 19.191 -7.926 -0.998 1.00 2.15 O ATOM 59 CB TYR A 12 19.625 -6.394 -3.318 1.00 3.48 C ATOM 60 CG TYR A 12 20.690 -5.586 -4.033 1.00 4.09 C ATOM 61 CD1 TYR A 12 20.341 -4.586 -4.936 1.00 4.67 C ATOM 62 CD2 TYR A 12 22.037 -5.831 -3.822 1.00 4.36 C ATOM 63 CE1 TYR A 12 21.307 -3.864 -5.606 1.00 5.39 C ATOM 64 CE2 TYR A 12 23.006 -5.109 -4.483 1.00 5.04 C ATOM 65 CZ TYR A 12 22.640 -4.079 -5.315 1.00 5.50 C ATOM 66 OH TYR A 12 23.608 -3.425 -6.043 1.00 6.30 O ATOM 0 H TYR A 12 21.158 -5.519 -1.548 1.00 2.26 H new ATOM 0 HA TYR A 12 18.317 -5.057 -2.170 1.00 2.39 H new ATOM 0 HB2 TYR A 12 20.020 -7.386 -3.100 1.00 3.48 H new ATOM 0 HB3 TYR A 12 18.775 -6.529 -3.986 1.00 3.48 H new ATOM 0 HD1 TYR A 12 19.298 -4.372 -5.115 1.00 4.67 H new ATOM 0 HD2 TYR A 12 22.333 -6.602 -3.126 1.00 4.36 H new ATOM 0 HE1 TYR A 12 21.023 -3.137 -6.352 1.00 5.39 H new ATOM 0 HE2 TYR A 12 24.050 -5.352 -4.348 1.00 5.04 H new ATOM 0 HH TYR A 12 24.495 -3.683 -5.715 1.00 6.30 H new ATOM 76 N ASN A 13 17.463 -6.600 -0.454 1.00 1.23 N ATOM 77 CA ASN A 13 16.947 -7.479 0.572 1.00 1.00 C ATOM 78 C ASN A 13 15.653 -8.226 0.312 1.00 0.86 C ATOM 79 O ASN A 13 14.658 -7.652 -0.137 1.00 1.29 O ATOM 80 CB ASN A 13 16.678 -6.611 1.694 1.00 1.76 C ATOM 81 CG ASN A 13 16.083 -7.334 2.881 1.00 2.67 C ATOM 82 OD1 ASN A 13 14.868 -7.396 3.034 1.00 3.27 O ATOM 83 ND2 ASN A 13 16.935 -7.881 3.736 1.00 3.42 N ATOM 0 H ASN A 13 16.883 -5.781 -0.636 1.00 1.23 H new ATOM 0 HA ASN A 13 17.695 -8.264 0.686 1.00 1.00 H new ATOM 0 HB2 ASN A 13 17.605 -6.127 2.000 1.00 1.76 H new ATOM 0 HB3 ASN A 13 15.995 -5.822 1.378 1.00 1.76 H new ATOM 0 HD21 ASN A 13 16.587 -8.376 4.557 1.00 3.42 H new ATOM 0 HD22 ASN A 13 17.939 -7.807 3.573 1.00 3.42 H new ATOM 90 N PHE A 14 15.693 -9.502 0.642 1.00 0.97 N ATOM 91 CA PHE A 14 14.508 -10.279 1.029 1.00 1.06 C ATOM 92 C PHE A 14 14.302 -10.111 2.540 1.00 0.93 C ATOM 93 O PHE A 14 15.232 -10.385 3.302 1.00 1.27 O ATOM 94 CB PHE A 14 14.656 -11.767 0.652 1.00 1.64 C ATOM 95 CG PHE A 14 15.883 -12.451 1.200 1.00 2.26 C ATOM 96 CD1 PHE A 14 17.124 -12.268 0.608 1.00 3.13 C ATOM 97 CD2 PHE A 14 15.787 -13.291 2.295 1.00 2.47 C ATOM 98 CE1 PHE A 14 18.244 -12.905 1.105 1.00 4.16 C ATOM 99 CE2 PHE A 14 16.903 -13.929 2.795 1.00 3.36 C ATOM 100 CZ PHE A 14 18.133 -13.737 2.200 1.00 4.21 C ATOM 0 H PHE A 14 16.556 -10.045 0.652 1.00 0.97 H new ATOM 0 HA PHE A 14 13.637 -9.909 0.488 1.00 1.06 H new ATOM 0 HB2 PHE A 14 13.774 -12.303 1.003 1.00 1.64 H new ATOM 0 HB3 PHE A 14 14.669 -11.850 -0.435 1.00 1.64 H new ATOM 0 HD1 PHE A 14 17.215 -11.620 -0.251 1.00 3.13 H new ATOM 0 HD2 PHE A 14 14.827 -13.449 2.764 1.00 2.47 H new ATOM 0 HE1 PHE A 14 19.205 -12.752 0.637 1.00 4.16 H new ATOM 0 HE2 PHE A 14 16.814 -14.579 3.653 1.00 3.36 H new ATOM 0 HZ PHE A 14 19.007 -14.237 2.591 1.00 4.21 H new ATOM 110 N MET A 15 13.139 -9.675 3.014 1.00 0.73 N ATOM 111 CA MET A 15 12.997 -9.474 4.440 1.00 0.74 C ATOM 112 C MET A 15 12.198 -10.609 5.015 1.00 0.70 C ATOM 113 O MET A 15 12.717 -11.451 5.748 1.00 0.79 O ATOM 114 CB MET A 15 12.327 -8.138 4.755 1.00 0.84 C ATOM 115 CG MET A 15 12.302 -7.808 6.240 1.00 1.48 C ATOM 116 SD MET A 15 13.950 -7.782 6.971 1.00 2.32 S ATOM 117 CE MET A 15 13.558 -7.492 8.695 1.00 2.91 C ATOM 0 H MET A 15 12.314 -9.463 2.452 1.00 0.73 H new ATOM 0 HA MET A 15 13.989 -9.452 4.891 1.00 0.74 H new ATOM 0 HB2 MET A 15 12.850 -7.344 4.223 1.00 0.84 H new ATOM 0 HB3 MET A 15 11.305 -8.155 4.377 1.00 0.84 H new ATOM 0 HG2 MET A 15 11.829 -6.837 6.385 1.00 1.48 H new ATOM 0 HG3 MET A 15 11.688 -8.543 6.762 1.00 1.48 H new ATOM 0 HE1 MET A 15 14.480 -7.451 9.276 1.00 2.91 H new ATOM 0 HE2 MET A 15 13.025 -6.546 8.793 1.00 2.91 H new ATOM 0 HE3 MET A 15 12.931 -8.302 9.067 1.00 2.91 H new ATOM 127 N ARG A 16 10.931 -10.624 4.663 1.00 0.61 N ATOM 128 CA ARG A 16 10.031 -11.666 5.096 1.00 0.61 C ATOM 129 C ARG A 16 8.702 -11.600 4.355 1.00 0.56 C ATOM 130 O ARG A 16 8.231 -10.523 3.979 1.00 0.52 O ATOM 131 CB ARG A 16 9.814 -11.571 6.605 1.00 0.63 C ATOM 132 CG ARG A 16 9.523 -10.167 7.129 1.00 0.72 C ATOM 133 CD ARG A 16 8.042 -9.832 7.112 1.00 1.06 C ATOM 134 NE ARG A 16 7.758 -8.619 7.887 1.00 1.64 N ATOM 135 CZ ARG A 16 6.763 -8.508 8.776 1.00 2.09 C ATOM 136 NH1 ARG A 16 5.931 -9.519 8.991 1.00 2.43 N ATOM 137 NH2 ARG A 16 6.603 -7.373 9.449 1.00 2.73 N ATOM 0 H ARG A 16 10.498 -9.916 4.070 1.00 0.61 H new ATOM 0 HA ARG A 16 10.486 -12.628 4.862 1.00 0.61 H new ATOM 0 HB2 ARG A 16 8.985 -12.224 6.879 1.00 0.63 H new ATOM 0 HB3 ARG A 16 10.701 -11.954 7.109 1.00 0.63 H new ATOM 0 HG2 ARG A 16 9.900 -10.078 8.148 1.00 0.72 H new ATOM 0 HG3 ARG A 16 10.063 -9.438 6.525 1.00 0.72 H new ATOM 0 HD2 ARG A 16 7.711 -9.694 6.083 1.00 1.06 H new ATOM 0 HD3 ARG A 16 7.474 -10.668 7.520 1.00 1.06 H new ATOM 0 HE ARG A 16 8.358 -7.807 7.739 1.00 1.64 H new ATOM 0 HH11 ARG A 16 6.046 -10.392 8.477 1.00 2.43 H new ATOM 0 HH12 ARG A 16 5.177 -9.423 9.671 1.00 2.43 H new ATOM 0 HH21 ARG A 16 7.237 -6.591 9.287 1.00 2.73 H new ATOM 0 HH22 ARG A 16 5.846 -7.285 10.127 1.00 2.73 H new ATOM 151 N ILE A 17 8.114 -12.766 4.152 1.00 0.62 N ATOM 152 CA ILE A 17 6.819 -12.886 3.505 1.00 0.61 C ATOM 153 C ILE A 17 5.683 -12.604 4.487 1.00 0.57 C ATOM 154 O ILE A 17 5.501 -13.315 5.476 1.00 0.64 O ATOM 155 CB ILE A 17 6.611 -14.277 2.850 1.00 0.73 C ATOM 156 CG1 ILE A 17 6.777 -15.437 3.857 1.00 1.68 C ATOM 157 CG2 ILE A 17 7.553 -14.448 1.666 1.00 1.41 C ATOM 158 CD1 ILE A 17 8.209 -15.745 4.252 1.00 2.26 C ATOM 0 H ILE A 17 8.522 -13.658 4.432 1.00 0.62 H new ATOM 0 HA ILE A 17 6.802 -12.137 2.713 1.00 0.61 H new ATOM 0 HB ILE A 17 5.581 -14.317 2.495 1.00 0.73 H new ATOM 0 HG12 ILE A 17 6.211 -15.200 4.758 1.00 1.68 H new ATOM 0 HG13 ILE A 17 6.333 -16.336 3.429 1.00 1.68 H new ATOM 0 HG21 ILE A 17 7.397 -15.428 1.215 1.00 1.41 H new ATOM 0 HG22 ILE A 17 7.353 -13.673 0.927 1.00 1.41 H new ATOM 0 HG23 ILE A 17 8.585 -14.366 2.007 1.00 1.41 H new ATOM 0 HD11 ILE A 17 8.221 -16.573 4.961 1.00 2.26 H new ATOM 0 HD12 ILE A 17 8.780 -16.019 3.365 1.00 2.26 H new ATOM 0 HD13 ILE A 17 8.656 -14.865 4.714 1.00 2.26 H new ATOM 170 N ILE A 18 4.950 -11.538 4.227 1.00 0.49 N ATOM 171 CA ILE A 18 3.811 -11.161 5.050 1.00 0.48 C ATOM 172 C ILE A 18 2.534 -11.830 4.518 1.00 0.48 C ATOM 173 O ILE A 18 2.512 -13.036 4.270 1.00 0.52 O ATOM 174 CB ILE A 18 3.640 -9.626 5.128 1.00 0.44 C ATOM 175 CG1 ILE A 18 5.007 -8.946 5.201 1.00 0.44 C ATOM 176 CG2 ILE A 18 2.811 -9.237 6.347 1.00 0.50 C ATOM 177 CD1 ILE A 18 4.931 -7.440 5.306 1.00 0.94 C ATOM 0 H ILE A 18 5.124 -10.909 3.443 1.00 0.49 H new ATOM 0 HA ILE A 18 3.998 -11.512 6.065 1.00 0.48 H new ATOM 0 HB ILE A 18 3.120 -9.296 4.229 1.00 0.44 H new ATOM 0 HG12 ILE A 18 5.551 -9.335 6.062 1.00 0.44 H new ATOM 0 HG13 ILE A 18 5.583 -9.211 4.314 1.00 0.44 H new ATOM 0 HG21 ILE A 18 2.703 -8.153 6.383 1.00 0.50 H new ATOM 0 HG22 ILE A 18 1.826 -9.698 6.279 1.00 0.50 H new ATOM 0 HG23 ILE A 18 3.311 -9.582 7.252 1.00 0.50 H new ATOM 0 HD11 ILE A 18 5.939 -7.027 5.354 1.00 0.94 H new ATOM 0 HD12 ILE A 18 4.416 -7.040 4.433 1.00 0.94 H new ATOM 0 HD13 ILE A 18 4.384 -7.165 6.208 1.00 0.94 H new ATOM 189 N LYS A 19 1.479 -11.048 4.357 1.00 0.45 N ATOM 190 CA LYS A 19 0.160 -11.576 3.997 1.00 0.46 C ATOM 191 C LYS A 19 -0.147 -11.265 2.536 1.00 0.42 C ATOM 192 O LYS A 19 0.508 -10.424 1.942 1.00 0.49 O ATOM 193 CB LYS A 19 -0.939 -10.982 4.892 1.00 0.54 C ATOM 194 CG LYS A 19 -1.011 -11.561 6.300 1.00 1.13 C ATOM 195 CD LYS A 19 0.123 -11.068 7.180 1.00 1.85 C ATOM 196 CE LYS A 19 -0.030 -11.538 8.616 1.00 2.57 C ATOM 197 NZ LYS A 19 -0.028 -13.019 8.726 1.00 2.68 N ATOM 0 H LYS A 19 1.505 -10.035 4.470 1.00 0.45 H new ATOM 0 HA LYS A 19 0.179 -12.656 4.145 1.00 0.46 H new ATOM 0 HB2 LYS A 19 -0.783 -9.906 4.966 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -1.903 -11.132 4.405 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -1.965 -11.291 6.754 1.00 1.13 H new ATOM 0 HG3 LYS A 19 -0.980 -12.649 6.246 1.00 1.13 H new ATOM 0 HD2 LYS A 19 1.073 -11.423 6.781 1.00 1.85 H new ATOM 0 HD3 LYS A 19 0.154 -9.979 7.156 1.00 1.85 H new ATOM 0 HE2 LYS A 19 0.782 -11.130 9.218 1.00 2.57 H new ATOM 0 HE3 LYS A 19 -0.960 -11.146 9.027 1.00 2.57 H new ATOM 0 HZ1 LYS A 19 -0.015 -13.293 9.729 1.00 2.68 H new ATOM 0 HZ2 LYS A 19 -0.883 -13.402 8.274 1.00 2.68 H new ATOM 0 HZ3 LYS A 19 0.815 -13.401 8.252 1.00 2.68 H new ATOM 211 N TYR A 20 -1.113 -11.963 1.947 1.00 0.37 N ATOM 212 CA TYR A 20 -1.493 -11.713 0.562 1.00 0.41 C ATOM 213 C TYR A 20 -2.951 -12.066 0.310 1.00 0.31 C ATOM 214 O TYR A 20 -3.559 -12.829 1.067 1.00 0.33 O ATOM 215 CB TYR A 20 -0.574 -12.476 -0.410 1.00 0.67 C ATOM 216 CG TYR A 20 -0.198 -13.882 0.010 1.00 1.13 C ATOM 217 CD1 TYR A 20 -1.054 -14.957 -0.203 1.00 1.34 C ATOM 218 CD2 TYR A 20 1.037 -14.135 0.596 1.00 1.45 C ATOM 219 CE1 TYR A 20 -0.689 -16.242 0.160 1.00 1.82 C ATOM 220 CE2 TYR A 20 1.406 -15.414 0.965 1.00 1.93 C ATOM 221 CZ TYR A 20 0.541 -16.463 0.744 1.00 2.10 C ATOM 222 OH TYR A 20 0.916 -17.741 1.098 1.00 2.59 O ATOM 0 H TYR A 20 -1.645 -12.703 2.405 1.00 0.37 H new ATOM 0 HA TYR A 20 -1.373 -10.645 0.380 1.00 0.41 H new ATOM 0 HB2 TYR A 20 -1.065 -12.526 -1.382 1.00 0.67 H new ATOM 0 HB3 TYR A 20 0.341 -11.899 -0.544 1.00 0.67 H new ATOM 0 HD1 TYR A 20 -2.018 -14.787 -0.659 1.00 1.34 H new ATOM 0 HD2 TYR A 20 1.721 -13.316 0.766 1.00 1.45 H new ATOM 0 HE1 TYR A 20 -1.364 -17.067 -0.013 1.00 1.82 H new ATOM 0 HE2 TYR A 20 2.367 -15.591 1.424 1.00 1.93 H new ATOM 0 HH TYR A 20 1.812 -17.721 1.496 1.00 2.59 H new ATOM 232 N GLU A 21 -3.491 -11.500 -0.766 1.00 0.33 N ATOM 233 CA GLU A 21 -4.863 -11.754 -1.193 1.00 0.32 C ATOM 234 C GLU A 21 -5.872 -11.362 -0.141 1.00 0.28 C ATOM 235 O GLU A 21 -6.886 -12.034 0.062 1.00 0.30 O ATOM 236 CB GLU A 21 -5.026 -13.218 -1.550 1.00 0.35 C ATOM 237 CG GLU A 21 -4.339 -13.616 -2.840 1.00 0.98 C ATOM 238 CD GLU A 21 -4.591 -15.062 -3.194 1.00 1.16 C ATOM 239 OE1 GLU A 21 -3.918 -15.945 -2.623 1.00 1.73 O ATOM 240 OE2 GLU A 21 -5.462 -15.326 -4.044 1.00 1.53 O ATOM 0 H GLU A 21 -2.987 -10.850 -1.368 1.00 0.33 H new ATOM 0 HA GLU A 21 -5.054 -11.135 -2.070 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -4.630 -13.826 -0.737 1.00 0.35 H new ATOM 0 HB3 GLU A 21 -6.089 -13.446 -1.631 1.00 0.35 H new ATOM 0 HG2 GLU A 21 -4.692 -12.978 -3.650 1.00 0.98 H new ATOM 0 HG3 GLU A 21 -3.266 -13.448 -2.746 1.00 0.98 H new ATOM 247 N PHE A 22 -5.593 -10.269 0.513 1.00 0.26 N ATOM 248 CA PHE A 22 -6.509 -9.698 1.453 1.00 0.26 C ATOM 249 C PHE A 22 -7.144 -8.488 0.821 1.00 0.24 C ATOM 250 O PHE A 22 -6.623 -7.936 -0.150 1.00 0.27 O ATOM 251 CB PHE A 22 -5.812 -9.363 2.766 1.00 0.32 C ATOM 252 CG PHE A 22 -5.576 -10.584 3.611 1.00 1.08 C ATOM 253 CD1 PHE A 22 -6.648 -11.276 4.156 1.00 1.98 C ATOM 254 CD2 PHE A 22 -4.296 -11.043 3.858 1.00 1.15 C ATOM 255 CE1 PHE A 22 -6.445 -12.401 4.931 1.00 2.89 C ATOM 256 CE2 PHE A 22 -4.087 -12.168 4.634 1.00 2.05 C ATOM 257 CZ PHE A 22 -5.162 -12.847 5.170 1.00 2.92 C ATOM 0 H PHE A 22 -4.721 -9.750 0.407 1.00 0.26 H new ATOM 0 HA PHE A 22 -7.288 -10.419 1.701 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -4.858 -8.879 2.556 1.00 0.32 H new ATOM 0 HB3 PHE A 22 -6.416 -8.648 3.324 1.00 0.32 H new ATOM 0 HD1 PHE A 22 -7.654 -10.930 3.972 1.00 1.98 H new ATOM 0 HD2 PHE A 22 -3.450 -10.517 3.440 1.00 1.15 H new ATOM 0 HE1 PHE A 22 -7.289 -12.930 5.349 1.00 2.89 H new ATOM 0 HE2 PHE A 22 -3.082 -12.516 4.821 1.00 2.05 H new ATOM 0 HZ PHE A 22 -4.999 -13.726 5.776 1.00 2.92 H new ATOM 267 N ILE A 23 -8.258 -8.081 1.358 1.00 0.22 N ATOM 268 CA ILE A 23 -9.004 -6.997 0.784 1.00 0.21 C ATOM 269 C ILE A 23 -8.655 -5.749 1.511 1.00 0.19 C ATOM 270 O ILE A 23 -8.688 -5.691 2.735 1.00 0.22 O ATOM 271 CB ILE A 23 -10.521 -7.199 0.897 1.00 0.28 C ATOM 272 CG1 ILE A 23 -10.925 -8.525 0.261 1.00 0.36 C ATOM 273 CG2 ILE A 23 -11.257 -6.036 0.245 1.00 0.36 C ATOM 274 CD1 ILE A 23 -10.514 -8.640 -1.190 1.00 0.84 C ATOM 0 H ILE A 23 -8.672 -8.486 2.198 1.00 0.22 H new ATOM 0 HA ILE A 23 -8.747 -6.946 -0.274 1.00 0.21 H new ATOM 0 HB ILE A 23 -10.797 -7.229 1.951 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -10.476 -9.343 0.825 1.00 0.36 H new ATOM 0 HG13 ILE A 23 -12.006 -8.642 0.336 1.00 0.36 H new ATOM 0 HG21 ILE A 23 -12.332 -6.191 0.332 1.00 0.36 H new ATOM 0 HG22 ILE A 23 -10.983 -5.106 0.744 1.00 0.36 H new ATOM 0 HG23 ILE A 23 -10.983 -5.977 -0.808 1.00 0.36 H new ATOM 0 HD11 ILE A 23 -10.831 -9.606 -1.582 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -10.984 -7.843 -1.766 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -9.430 -8.554 -1.269 1.00 0.84 H new ATOM 286 N LEU A 24 -8.308 -4.757 0.763 1.00 0.18 N ATOM 287 CA LEU A 24 -7.828 -3.546 1.378 1.00 0.19 C ATOM 288 C LEU A 24 -8.921 -2.508 1.451 1.00 0.20 C ATOM 289 O LEU A 24 -9.456 -2.080 0.441 1.00 0.23 O ATOM 290 CB LEU A 24 -6.629 -3.021 0.608 1.00 0.23 C ATOM 291 CG LEU A 24 -5.495 -2.574 1.505 1.00 0.53 C ATOM 292 CD1 LEU A 24 -4.889 -3.763 2.233 1.00 1.32 C ATOM 293 CD2 LEU A 24 -4.434 -1.827 0.713 1.00 1.41 C ATOM 0 H LEU A 24 -8.343 -4.749 -0.256 1.00 0.18 H new ATOM 0 HA LEU A 24 -7.519 -3.768 2.399 1.00 0.19 H new ATOM 0 HB2 LEU A 24 -6.267 -3.799 -0.064 1.00 0.23 H new ATOM 0 HB3 LEU A 24 -6.943 -2.183 -0.015 1.00 0.23 H new ATOM 0 HG LEU A 24 -5.901 -1.888 2.248 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.075 -3.422 2.873 1.00 1.32 H new ATOM 0 HD12 LEU A 24 -5.653 -4.244 2.843 1.00 1.32 H new ATOM 0 HD13 LEU A 24 -4.503 -4.477 1.505 1.00 1.32 H new ATOM 0 HD21 LEU A 24 -3.631 -1.517 1.382 1.00 1.41 H new ATOM 0 HD22 LEU A 24 -4.030 -2.480 -0.060 1.00 1.41 H new ATOM 0 HD23 LEU A 24 -4.879 -0.947 0.249 1.00 1.41 H new ATOM 305 N ASN A 25 -9.232 -2.119 2.678 1.00 0.19 N ATOM 306 CA ASN A 25 -10.284 -1.168 2.962 1.00 0.19 C ATOM 307 C ASN A 25 -9.786 -0.183 4.006 1.00 0.18 C ATOM 308 O ASN A 25 -9.071 -0.572 4.895 1.00 0.22 O ATOM 309 CB ASN A 25 -11.473 -1.992 3.465 1.00 0.29 C ATOM 310 CG ASN A 25 -12.666 -1.196 3.920 1.00 0.92 C ATOM 311 OD1 ASN A 25 -13.539 -0.866 3.127 1.00 1.74 O ATOM 312 ND2 ASN A 25 -12.741 -0.940 5.215 1.00 1.72 N ATOM 0 H ASN A 25 -8.753 -2.461 3.511 1.00 0.19 H new ATOM 0 HA ASN A 25 -10.581 -0.585 2.090 1.00 0.19 H new ATOM 0 HB2 ASN A 25 -11.790 -2.665 2.668 1.00 0.29 H new ATOM 0 HB3 ASN A 25 -11.136 -2.615 4.294 1.00 0.29 H new ATOM 0 HD21 ASN A 25 -13.551 -0.448 5.592 1.00 1.72 H new ATOM 0 HD22 ASN A 25 -11.989 -1.235 5.838 1.00 1.72 H new ATOM 319 N ASP A 26 -10.165 1.071 3.914 1.00 0.16 N ATOM 320 CA ASP A 26 -9.758 2.069 4.872 1.00 0.17 C ATOM 321 C ASP A 26 -10.742 2.195 6.022 1.00 0.18 C ATOM 322 O ASP A 26 -11.696 1.442 6.136 1.00 0.20 O ATOM 323 CB ASP A 26 -9.732 3.456 4.213 1.00 0.19 C ATOM 324 CG ASP A 26 -10.791 3.704 3.155 1.00 0.40 C ATOM 325 OD1 ASP A 26 -11.376 2.747 2.632 1.00 0.66 O ATOM 326 OD2 ASP A 26 -11.050 4.881 2.865 1.00 1.04 O ATOM 0 H ASP A 26 -10.766 1.427 3.170 1.00 0.16 H new ATOM 0 HA ASP A 26 -8.779 1.754 5.233 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -9.841 4.210 4.993 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -8.751 3.604 3.761 1.00 0.19 H new ATOM 331 N ALA A 27 -10.441 3.131 6.910 1.00 0.21 N ATOM 332 CA ALA A 27 -11.338 3.507 7.999 1.00 0.25 C ATOM 333 C ALA A 27 -12.539 4.227 7.439 1.00 0.24 C ATOM 334 O ALA A 27 -13.572 4.349 8.093 1.00 0.28 O ATOM 335 CB ALA A 27 -10.644 4.394 9.014 1.00 0.32 C ATOM 0 H ALA A 27 -9.566 3.654 6.898 1.00 0.21 H new ATOM 0 HA ALA A 27 -11.651 2.594 8.507 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -11.343 4.653 9.809 1.00 0.32 H new ATOM 0 HB2 ALA A 27 -9.792 3.863 9.439 1.00 0.32 H new ATOM 0 HB3 ALA A 27 -10.297 5.304 8.525 1.00 0.32 H new ATOM 341 N LEU A 28 -12.388 4.728 6.220 1.00 0.21 N ATOM 342 CA LEU A 28 -13.545 5.256 5.492 1.00 0.24 C ATOM 343 C LEU A 28 -14.404 4.091 5.072 1.00 0.23 C ATOM 344 O LEU A 28 -15.601 4.209 4.804 1.00 0.29 O ATOM 345 CB LEU A 28 -13.124 6.038 4.258 1.00 0.25 C ATOM 346 CG LEU A 28 -12.448 7.357 4.526 1.00 0.31 C ATOM 347 CD1 LEU A 28 -12.221 8.117 3.230 1.00 0.48 C ATOM 348 CD2 LEU A 28 -13.273 8.178 5.507 1.00 0.48 C ATOM 0 H LEU A 28 -11.501 4.782 5.720 1.00 0.21 H new ATOM 0 HA LEU A 28 -14.091 5.937 6.145 1.00 0.24 H new ATOM 0 HB2 LEU A 28 -12.450 5.417 3.668 1.00 0.25 H new ATOM 0 HB3 LEU A 28 -14.007 6.220 3.646 1.00 0.25 H new ATOM 0 HG LEU A 28 -11.473 7.167 4.974 1.00 0.31 H new ATOM 0 HD11 LEU A 28 -11.732 9.067 3.446 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -11.589 7.526 2.567 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -13.179 8.305 2.746 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -12.775 9.130 5.694 1.00 0.48 H new ATOM 0 HD22 LEU A 28 -14.262 8.362 5.086 1.00 0.48 H new ATOM 0 HD23 LEU A 28 -13.374 7.631 6.444 1.00 0.48 H new ATOM 360 N ASN A 29 -13.736 2.961 5.094 1.00 0.20 N ATOM 361 CA ASN A 29 -14.227 1.697 4.621 1.00 0.23 C ATOM 362 C ASN A 29 -14.709 1.826 3.212 1.00 0.24 C ATOM 363 O ASN A 29 -15.910 1.769 2.951 1.00 0.28 O ATOM 364 CB ASN A 29 -15.387 1.163 5.454 1.00 0.29 C ATOM 365 CG ASN A 29 -15.238 1.393 6.947 1.00 0.60 C ATOM 366 OD1 ASN A 29 -14.620 0.592 7.651 1.00 1.32 O ATOM 367 ND2 ASN A 29 -15.830 2.466 7.444 1.00 1.30 N ATOM 0 H ASN A 29 -12.787 2.901 5.462 1.00 0.20 H new ATOM 0 HA ASN A 29 -13.391 1.002 4.697 1.00 0.23 H new ATOM 0 HB2 ASN A 29 -16.310 1.634 5.115 1.00 0.29 H new ATOM 0 HB3 ASN A 29 -15.489 0.093 5.271 1.00 0.29 H new ATOM 0 HD21 ASN A 29 -15.785 2.656 8.445 1.00 1.30 H new ATOM 0 HD22 ASN A 29 -16.332 3.104 6.826 1.00 1.30 H new ATOM 374 N GLN A 30 -13.785 1.960 2.302 1.00 0.23 N ATOM 375 CA GLN A 30 -14.073 1.680 0.935 1.00 0.24 C ATOM 376 C GLN A 30 -12.891 0.939 0.378 1.00 0.22 C ATOM 377 O GLN A 30 -11.804 1.489 0.239 1.00 0.28 O ATOM 378 CB GLN A 30 -14.414 2.961 0.155 1.00 0.36 C ATOM 379 CG GLN A 30 -15.748 3.563 0.596 1.00 0.98 C ATOM 380 CD GLN A 30 -16.484 4.337 -0.486 1.00 1.41 C ATOM 381 OE1 GLN A 30 -16.350 4.064 -1.676 1.00 2.21 O ATOM 382 NE2 GLN A 30 -17.319 5.278 -0.073 1.00 1.84 N ATOM 0 H GLN A 30 -12.829 2.262 2.488 1.00 0.23 H new ATOM 0 HA GLN A 30 -14.963 1.058 0.840 1.00 0.24 H new ATOM 0 HB2 GLN A 30 -13.620 3.694 0.298 1.00 0.36 H new ATOM 0 HB3 GLN A 30 -14.452 2.737 -0.911 1.00 0.36 H new ATOM 0 HG2 GLN A 30 -16.393 2.760 0.952 1.00 0.98 H new ATOM 0 HG3 GLN A 30 -15.570 4.227 1.441 1.00 0.98 H new ATOM 0 HE21 GLN A 30 -17.407 5.480 0.923 1.00 1.84 H new ATOM 0 HE22 GLN A 30 -17.874 5.800 -0.751 1.00 1.84 H new ATOM 391 N SER A 31 -13.106 -0.321 0.059 1.00 0.23 N ATOM 392 CA SER A 31 -12.026 -1.159 -0.353 1.00 0.26 C ATOM 393 C SER A 31 -11.496 -0.654 -1.676 1.00 0.21 C ATOM 394 O SER A 31 -12.237 -0.502 -2.647 1.00 0.21 O ATOM 395 CB SER A 31 -12.506 -2.601 -0.431 1.00 0.36 C ATOM 396 OG SER A 31 -13.808 -2.658 -0.978 1.00 1.23 O ATOM 0 H SER A 31 -14.019 -0.775 0.081 1.00 0.23 H new ATOM 0 HA SER A 31 -11.210 -1.129 0.369 1.00 0.26 H new ATOM 0 HB2 SER A 31 -11.821 -3.186 -1.044 1.00 0.36 H new ATOM 0 HB3 SER A 31 -12.503 -3.046 0.564 1.00 0.36 H new ATOM 0 HG SER A 31 -13.973 -1.855 -1.515 1.00 1.23 H new ATOM 402 N ILE A 32 -10.214 -0.376 -1.690 1.00 0.21 N ATOM 403 CA ILE A 32 -9.607 0.338 -2.782 1.00 0.20 C ATOM 404 C ILE A 32 -9.469 -0.551 -4.031 1.00 0.21 C ATOM 405 O ILE A 32 -8.646 -1.459 -4.077 1.00 0.24 O ATOM 406 CB ILE A 32 -8.237 0.939 -2.374 1.00 0.24 C ATOM 407 CG1 ILE A 32 -7.191 -0.142 -2.082 1.00 1.11 C ATOM 408 CG2 ILE A 32 -8.409 1.812 -1.150 1.00 1.23 C ATOM 409 CD1 ILE A 32 -5.791 0.406 -1.902 1.00 1.72 C ATOM 0 H ILE A 32 -9.567 -0.638 -0.947 1.00 0.21 H new ATOM 0 HA ILE A 32 -10.271 1.164 -3.036 1.00 0.20 H new ATOM 0 HB ILE A 32 -7.877 1.530 -3.216 1.00 0.24 H new ATOM 0 HG12 ILE A 32 -7.480 -0.682 -1.180 1.00 1.11 H new ATOM 0 HG13 ILE A 32 -7.188 -0.864 -2.899 1.00 1.11 H new ATOM 0 HG21 ILE A 32 -7.445 2.233 -0.865 1.00 1.23 H new ATOM 0 HG22 ILE A 32 -9.106 2.620 -1.374 1.00 1.23 H new ATOM 0 HG23 ILE A 32 -8.800 1.213 -0.328 1.00 1.23 H new ATOM 0 HD11 ILE A 32 -5.103 -0.414 -1.698 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -5.482 0.921 -2.811 1.00 1.72 H new ATOM 0 HD13 ILE A 32 -5.779 1.106 -1.066 1.00 1.72 H new ATOM 421 N ILE A 33 -10.321 -0.328 -5.024 1.00 0.21 N ATOM 422 CA ILE A 33 -10.301 -1.148 -6.235 1.00 0.24 C ATOM 423 C ILE A 33 -9.550 -0.430 -7.361 1.00 0.24 C ATOM 424 O ILE A 33 -9.579 0.797 -7.465 1.00 0.24 O ATOM 425 CB ILE A 33 -11.736 -1.448 -6.730 1.00 0.28 C ATOM 426 CG1 ILE A 33 -12.658 -1.776 -5.555 1.00 0.80 C ATOM 427 CG2 ILE A 33 -11.723 -2.600 -7.725 1.00 0.77 C ATOM 428 CD1 ILE A 33 -14.100 -2.009 -5.953 1.00 0.91 C ATOM 0 H ILE A 33 -11.029 0.406 -5.018 1.00 0.21 H new ATOM 0 HA ILE A 33 -9.797 -2.081 -5.982 1.00 0.24 H new ATOM 0 HB ILE A 33 -12.118 -0.557 -7.228 1.00 0.28 H new ATOM 0 HG12 ILE A 33 -12.283 -2.665 -5.049 1.00 0.80 H new ATOM 0 HG13 ILE A 33 -12.618 -0.959 -4.835 1.00 0.80 H new ATOM 0 HG21 ILE A 33 -12.740 -2.799 -8.064 1.00 0.77 H new ATOM 0 HG22 ILE A 33 -11.101 -2.335 -8.580 1.00 0.77 H new ATOM 0 HG23 ILE A 33 -11.320 -3.491 -7.244 1.00 0.77 H new ATOM 0 HD11 ILE A 33 -14.690 -2.236 -5.065 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.495 -1.113 -6.432 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -14.155 -2.846 -6.649 1.00 0.91 H new ATOM 440 N ARG A 34 -8.899 -1.205 -8.215 1.00 0.31 N ATOM 441 CA ARG A 34 -8.225 -0.669 -9.388 1.00 0.35 C ATOM 442 C ARG A 34 -9.228 -0.510 -10.523 1.00 0.36 C ATOM 443 O ARG A 34 -9.769 -1.493 -11.028 1.00 0.42 O ATOM 444 CB ARG A 34 -7.054 -1.596 -9.779 1.00 0.48 C ATOM 445 CG ARG A 34 -6.479 -1.384 -11.180 1.00 1.04 C ATOM 446 CD ARG A 34 -7.116 -2.335 -12.190 1.00 1.16 C ATOM 447 NE ARG A 34 -6.546 -2.218 -13.532 1.00 1.48 N ATOM 448 CZ ARG A 34 -7.279 -2.242 -14.649 1.00 1.79 C ATOM 449 NH1 ARG A 34 -8.605 -2.288 -14.572 1.00 2.09 N ATOM 450 NH2 ARG A 34 -6.689 -2.207 -15.837 1.00 2.47 N ATOM 0 H ARG A 34 -8.823 -2.217 -8.116 1.00 0.31 H new ATOM 0 HA ARG A 34 -7.811 0.315 -9.169 1.00 0.35 H new ATOM 0 HB2 ARG A 34 -6.252 -1.463 -9.053 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -7.390 -2.630 -9.697 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -6.646 -0.353 -11.492 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -5.400 -1.540 -11.160 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -6.996 -3.360 -11.840 1.00 1.16 H new ATOM 0 HD3 ARG A 34 -8.187 -2.138 -12.239 1.00 1.16 H new ATOM 0 HE ARG A 34 -5.535 -2.112 -13.620 1.00 1.48 H new ATOM 0 HH11 ARG A 34 -9.063 -2.305 -13.661 1.00 2.09 H new ATOM 0 HH12 ARG A 34 -9.165 -2.306 -15.424 1.00 2.09 H new ATOM 0 HH21 ARG A 34 -5.672 -2.162 -15.900 1.00 2.47 H new ATOM 0 HH22 ARG A 34 -7.252 -2.226 -16.687 1.00 2.47 H new ATOM 464 N ALA A 35 -9.490 0.732 -10.899 1.00 0.37 N ATOM 465 CA ALA A 35 -10.401 1.019 -11.996 1.00 0.46 C ATOM 466 C ALA A 35 -9.604 1.098 -13.280 1.00 0.53 C ATOM 467 O ALA A 35 -10.054 0.697 -14.350 1.00 0.63 O ATOM 468 CB ALA A 35 -11.154 2.320 -11.747 1.00 0.54 C ATOM 0 H ALA A 35 -9.084 1.558 -10.460 1.00 0.37 H new ATOM 0 HA ALA A 35 -11.141 0.223 -12.074 1.00 0.46 H new ATOM 0 HB1 ALA A 35 -11.829 2.515 -12.580 1.00 0.54 H new ATOM 0 HB2 ALA A 35 -11.730 2.237 -10.825 1.00 0.54 H new ATOM 0 HB3 ALA A 35 -10.442 3.141 -11.657 1.00 0.54 H new ATOM 474 N ASN A 36 -8.399 1.613 -13.130 1.00 0.53 N ATOM 475 CA ASN A 36 -7.445 1.712 -14.210 1.00 0.66 C ATOM 476 C ASN A 36 -6.066 1.443 -13.630 1.00 0.65 C ATOM 477 O ASN A 36 -5.868 1.572 -12.423 1.00 0.55 O ATOM 478 CB ASN A 36 -7.542 3.114 -14.830 1.00 0.76 C ATOM 479 CG ASN A 36 -6.414 3.457 -15.785 1.00 1.43 C ATOM 480 OD1 ASN A 36 -5.416 4.055 -15.390 1.00 2.25 O ATOM 481 ND2 ASN A 36 -6.566 3.093 -17.044 1.00 1.93 N ATOM 0 H ASN A 36 -8.054 1.978 -12.242 1.00 0.53 H new ATOM 0 HA ASN A 36 -7.645 0.987 -14.999 1.00 0.66 H new ATOM 0 HB2 ASN A 36 -8.490 3.198 -15.362 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -7.560 3.852 -14.028 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -5.840 3.307 -17.728 1.00 1.93 H new ATOM 0 HD22 ASN A 36 -7.409 2.598 -17.333 1.00 1.93 H new ATOM 488 N ASP A 37 -5.122 1.065 -14.473 1.00 0.81 N ATOM 489 CA ASP A 37 -3.799 0.654 -14.007 1.00 0.88 C ATOM 490 C ASP A 37 -2.946 1.835 -13.568 1.00 0.79 C ATOM 491 O ASP A 37 -1.797 1.658 -13.173 1.00 0.88 O ATOM 492 CB ASP A 37 -3.072 -0.180 -15.062 1.00 1.10 C ATOM 493 CG ASP A 37 -3.645 -1.579 -15.167 1.00 1.76 C ATOM 494 OD1 ASP A 37 -3.734 -2.271 -14.133 1.00 2.51 O ATOM 495 OD2 ASP A 37 -3.981 -2.010 -16.288 1.00 2.10 O ATOM 0 H ASP A 37 -5.242 1.032 -15.485 1.00 0.81 H new ATOM 0 HA ASP A 37 -3.959 0.030 -13.128 1.00 0.88 H new ATOM 0 HB2 ASP A 37 -3.144 0.316 -16.030 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -2.013 -0.239 -14.812 1.00 1.10 H new ATOM 500 N GLN A 38 -3.490 3.039 -13.658 1.00 0.68 N ATOM 501 CA GLN A 38 -2.752 4.225 -13.263 1.00 0.60 C ATOM 502 C GLN A 38 -3.471 4.972 -12.140 1.00 0.44 C ATOM 503 O GLN A 38 -2.829 5.620 -11.314 1.00 0.39 O ATOM 504 CB GLN A 38 -2.558 5.146 -14.468 1.00 0.71 C ATOM 505 CG GLN A 38 -1.734 6.383 -14.166 1.00 1.53 C ATOM 506 CD GLN A 38 -1.600 7.292 -15.367 1.00 2.01 C ATOM 507 OE1 GLN A 38 -2.492 7.352 -16.218 1.00 2.57 O ATOM 508 NE2 GLN A 38 -0.486 7.998 -15.449 1.00 2.58 N ATOM 0 H GLN A 38 -4.434 3.218 -13.999 1.00 0.68 H new ATOM 0 HA GLN A 38 -1.777 3.911 -12.890 1.00 0.60 H new ATOM 0 HB2 GLN A 38 -2.075 4.585 -15.268 1.00 0.71 H new ATOM 0 HB3 GLN A 38 -3.535 5.454 -14.840 1.00 0.71 H new ATOM 0 HG2 GLN A 38 -2.196 6.933 -13.347 1.00 1.53 H new ATOM 0 HG3 GLN A 38 -0.742 6.082 -13.828 1.00 1.53 H new ATOM 0 HE21 GLN A 38 0.224 7.916 -14.722 1.00 2.58 H new ATOM 0 HE22 GLN A 38 -0.336 8.625 -16.240 1.00 2.58 H new ATOM 517 N TYR A 39 -4.798 4.869 -12.090 1.00 0.43 N ATOM 518 CA TYR A 39 -5.545 5.480 -10.998 1.00 0.41 C ATOM 519 C TYR A 39 -6.454 4.463 -10.319 1.00 0.34 C ATOM 520 O TYR A 39 -7.119 3.654 -10.973 1.00 0.36 O ATOM 521 CB TYR A 39 -6.327 6.728 -11.448 1.00 0.64 C ATOM 522 CG TYR A 39 -7.436 6.497 -12.451 1.00 0.92 C ATOM 523 CD1 TYR A 39 -8.698 6.090 -12.039 1.00 1.50 C ATOM 524 CD2 TYR A 39 -7.209 6.651 -13.813 1.00 1.31 C ATOM 525 CE1 TYR A 39 -9.702 5.844 -12.955 1.00 2.23 C ATOM 526 CE2 TYR A 39 -8.209 6.415 -14.733 1.00 1.97 C ATOM 527 CZ TYR A 39 -9.491 6.134 -14.287 1.00 2.39 C ATOM 528 OH TYR A 39 -10.449 5.766 -15.215 1.00 3.17 O ATOM 0 H TYR A 39 -5.367 4.378 -12.780 1.00 0.43 H new ATOM 0 HA TYR A 39 -4.815 5.821 -10.263 1.00 0.41 H new ATOM 0 HB2 TYR A 39 -6.757 7.200 -10.564 1.00 0.64 H new ATOM 0 HB3 TYR A 39 -5.620 7.439 -11.876 1.00 0.64 H new ATOM 0 HD1 TYR A 39 -8.898 5.964 -10.985 1.00 1.50 H new ATOM 0 HD2 TYR A 39 -6.233 6.961 -14.157 1.00 1.31 H new ATOM 0 HE1 TYR A 39 -10.645 5.428 -12.631 1.00 2.23 H new ATOM 0 HE2 TYR A 39 -7.995 6.449 -15.791 1.00 1.97 H new ATOM 0 HH TYR A 39 -10.159 6.039 -16.110 1.00 3.17 H new ATOM 538 N LEU A 40 -6.481 4.518 -9.002 1.00 0.31 N ATOM 539 CA LEU A 40 -7.222 3.563 -8.199 1.00 0.28 C ATOM 540 C LEU A 40 -8.220 4.285 -7.306 1.00 0.25 C ATOM 541 O LEU A 40 -7.879 5.240 -6.615 1.00 0.29 O ATOM 542 CB LEU A 40 -6.224 2.731 -7.383 1.00 0.30 C ATOM 543 CG LEU A 40 -6.799 1.566 -6.578 1.00 0.51 C ATOM 544 CD1 LEU A 40 -5.728 0.515 -6.335 1.00 1.21 C ATOM 545 CD2 LEU A 40 -7.350 2.055 -5.252 1.00 1.31 C ATOM 0 H LEU A 40 -5.990 5.226 -8.457 1.00 0.31 H new ATOM 0 HA LEU A 40 -7.795 2.893 -8.840 1.00 0.28 H new ATOM 0 HB2 LEU A 40 -5.473 2.335 -8.066 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -5.707 3.399 -6.694 1.00 0.30 H new ATOM 0 HG LEU A 40 -7.611 1.121 -7.152 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -6.151 -0.309 -5.761 1.00 1.21 H new ATOM 0 HD12 LEU A 40 -5.362 0.141 -7.291 1.00 1.21 H new ATOM 0 HD13 LEU A 40 -4.902 0.959 -5.779 1.00 1.21 H new ATOM 0 HD21 LEU A 40 -7.755 1.211 -4.693 1.00 1.31 H new ATOM 0 HD22 LEU A 40 -6.551 2.522 -4.676 1.00 1.31 H new ATOM 0 HD23 LEU A 40 -8.140 2.783 -5.433 1.00 1.31 H new ATOM 557 N THR A 41 -9.452 3.819 -7.325 1.00 0.24 N ATOM 558 CA THR A 41 -10.512 4.456 -6.575 1.00 0.22 C ATOM 559 C THR A 41 -11.077 3.487 -5.545 1.00 0.19 C ATOM 560 O THR A 41 -11.286 2.307 -5.828 1.00 0.21 O ATOM 561 CB THR A 41 -11.628 4.941 -7.523 1.00 0.27 C ATOM 562 OG1 THR A 41 -11.055 5.779 -8.539 1.00 1.36 O ATOM 563 CG2 THR A 41 -12.700 5.719 -6.771 1.00 1.28 C ATOM 0 H THR A 41 -9.744 2.997 -7.855 1.00 0.24 H new ATOM 0 HA THR A 41 -10.101 5.322 -6.056 1.00 0.22 H new ATOM 0 HB THR A 41 -12.098 4.066 -7.973 1.00 0.27 H new ATOM 0 HG1 THR A 41 -11.761 6.088 -9.145 1.00 1.36 H new ATOM 0 HG21 THR A 41 -13.470 6.045 -7.470 1.00 1.28 H new ATOM 0 HG22 THR A 41 -13.148 5.079 -6.010 1.00 1.28 H new ATOM 0 HG23 THR A 41 -12.250 6.590 -6.294 1.00 1.28 H new ATOM 571 N ALA A 42 -11.325 3.993 -4.353 1.00 0.19 N ATOM 572 CA ALA A 42 -11.808 3.166 -3.258 1.00 0.20 C ATOM 573 C ALA A 42 -13.327 3.081 -3.254 1.00 0.20 C ATOM 574 O ALA A 42 -14.014 4.061 -3.545 1.00 0.27 O ATOM 575 CB ALA A 42 -11.318 3.724 -1.936 1.00 0.26 C ATOM 0 H ALA A 42 -11.200 4.977 -4.115 1.00 0.19 H new ATOM 0 HA ALA A 42 -11.415 2.159 -3.397 1.00 0.20 H new ATOM 0 HB1 ALA A 42 -11.683 3.100 -1.120 1.00 0.26 H new ATOM 0 HB2 ALA A 42 -10.228 3.733 -1.926 1.00 0.26 H new ATOM 0 HB3 ALA A 42 -11.690 4.741 -1.810 1.00 0.26 H new ATOM 581 N ALA A 43 -13.843 1.889 -2.963 1.00 0.20 N ATOM 582 CA ALA A 43 -15.292 1.683 -2.885 1.00 0.29 C ATOM 583 C ALA A 43 -15.639 0.604 -1.863 1.00 0.35 C ATOM 584 O ALA A 43 -15.061 -0.480 -1.884 1.00 0.40 O ATOM 585 CB ALA A 43 -15.838 1.300 -4.251 1.00 0.38 C ATOM 0 H ALA A 43 -13.286 1.055 -2.778 1.00 0.20 H new ATOM 0 HA ALA A 43 -15.751 2.618 -2.563 1.00 0.29 H new ATOM 0 HB1 ALA A 43 -16.915 1.149 -4.183 1.00 0.38 H new ATOM 0 HB2 ALA A 43 -15.628 2.098 -4.964 1.00 0.38 H new ATOM 0 HB3 ALA A 43 -15.363 0.378 -4.587 1.00 0.38 H new ATOM 591 N ALA A 44 -16.598 0.900 -0.977 1.00 0.63 N ATOM 592 CA ALA A 44 -16.980 -0.018 0.086 1.00 0.65 C ATOM 593 C ALA A 44 -17.504 -1.340 -0.446 1.00 0.46 C ATOM 594 O ALA A 44 -18.488 -1.393 -1.183 1.00 0.79 O ATOM 595 CB ALA A 44 -18.032 0.629 0.970 1.00 1.13 C ATOM 0 H ALA A 44 -17.122 1.775 -0.982 1.00 0.63 H new ATOM 0 HA ALA A 44 -16.081 -0.234 0.664 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -18.315 -0.062 1.764 1.00 1.13 H new ATOM 0 HB2 ALA A 44 -17.627 1.541 1.409 1.00 1.13 H new ATOM 0 HB3 ALA A 44 -18.910 0.873 0.372 1.00 1.13 H new ATOM 601 N LEU A 45 -16.816 -2.393 -0.061 1.00 0.47 N ATOM 602 CA LEU A 45 -17.230 -3.750 -0.308 1.00 0.66 C ATOM 603 C LEU A 45 -18.266 -4.217 0.702 1.00 0.62 C ATOM 604 O LEU A 45 -18.362 -3.685 1.809 1.00 0.88 O ATOM 605 CB LEU A 45 -16.024 -4.678 -0.307 1.00 1.23 C ATOM 606 CG LEU A 45 -15.788 -5.396 -1.633 1.00 2.25 C ATOM 607 CD1 LEU A 45 -16.939 -6.334 -1.926 1.00 2.87 C ATOM 608 CD2 LEU A 45 -15.625 -4.391 -2.765 1.00 2.93 C ATOM 0 H LEU A 45 -15.933 -2.324 0.444 1.00 0.47 H new ATOM 0 HA LEU A 45 -17.699 -3.780 -1.292 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -15.135 -4.100 -0.056 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -16.153 -5.422 0.479 1.00 1.23 H new ATOM 0 HG LEU A 45 -14.869 -5.977 -1.555 1.00 2.25 H new ATOM 0 HD11 LEU A 45 -16.762 -6.842 -2.874 1.00 2.87 H new ATOM 0 HD12 LEU A 45 -17.019 -7.072 -1.128 1.00 2.87 H new ATOM 0 HD13 LEU A 45 -17.866 -5.764 -1.987 1.00 2.87 H new ATOM 0 HD21 LEU A 45 -15.458 -4.922 -3.702 1.00 2.93 H new ATOM 0 HD22 LEU A 45 -16.528 -3.786 -2.847 1.00 2.93 H new ATOM 0 HD23 LEU A 45 -14.773 -3.744 -2.557 1.00 2.93 H new ATOM 620 N HIS A 46 -19.038 -5.209 0.303 1.00 0.61 N ATOM 621 CA HIS A 46 -19.946 -5.893 1.209 1.00 0.80 C ATOM 622 C HIS A 46 -19.823 -7.401 0.984 1.00 0.76 C ATOM 623 O HIS A 46 -20.217 -8.201 1.829 1.00 0.94 O ATOM 624 CB HIS A 46 -21.397 -5.441 0.995 1.00 1.06 C ATOM 625 CG HIS A 46 -22.348 -6.040 1.989 1.00 1.87 C ATOM 626 ND1 HIS A 46 -23.145 -7.130 1.714 1.00 2.69 N ATOM 627 CD2 HIS A 46 -22.604 -5.708 3.275 1.00 2.79 C ATOM 628 CE1 HIS A 46 -23.847 -7.442 2.788 1.00 3.63 C ATOM 629 NE2 HIS A 46 -23.536 -6.596 3.751 1.00 3.71 N ATOM 0 H HIS A 46 -19.055 -5.564 -0.653 1.00 0.61 H new ATOM 0 HA HIS A 46 -19.675 -5.644 2.235 1.00 0.80 H new ATOM 0 HB2 HIS A 46 -21.447 -4.354 1.061 1.00 1.06 H new ATOM 0 HB3 HIS A 46 -21.712 -5.714 -0.012 1.00 1.06 H new ATOM 0 HD2 HIS A 46 -22.157 -4.894 3.826 1.00 2.79 H new ATOM 0 HE1 HIS A 46 -24.556 -8.253 2.865 1.00 3.63 H new ATOM 0 HE2 HIS A 46 -23.924 -6.601 4.694 1.00 3.71 H new ATOM 638 N ASN A 47 -19.242 -7.779 -0.151 1.00 0.66 N ATOM 639 CA ASN A 47 -18.813 -9.165 -0.366 1.00 0.71 C ATOM 640 C ASN A 47 -17.410 -9.337 0.189 1.00 0.76 C ATOM 641 O ASN A 47 -16.863 -10.438 0.201 1.00 0.88 O ATOM 642 CB ASN A 47 -18.736 -9.512 -1.855 1.00 0.74 C ATOM 643 CG ASN A 47 -19.971 -9.134 -2.657 1.00 1.42 C ATOM 644 OD1 ASN A 47 -20.682 -8.187 -2.339 1.00 2.21 O ATOM 645 ND2 ASN A 47 -20.229 -9.872 -3.724 1.00 1.94 N ATOM 0 H ASN A 47 -19.056 -7.152 -0.934 1.00 0.66 H new ATOM 0 HA ASN A 47 -19.541 -9.811 0.126 1.00 0.71 H new ATOM 0 HB2 ASN A 47 -17.870 -9.010 -2.287 1.00 0.74 H new ATOM 0 HB3 ASN A 47 -18.567 -10.584 -1.957 1.00 0.74 H new ATOM 0 HD21 ASN A 47 -21.038 -9.659 -4.308 1.00 1.94 H new ATOM 0 HD22 ASN A 47 -19.619 -10.654 -3.963 1.00 1.94 H new ATOM 652 N LEU A 48 -16.855 -8.224 0.659 1.00 0.77 N ATOM 653 CA LEU A 48 -15.478 -8.136 1.113 1.00 0.89 C ATOM 654 C LEU A 48 -14.486 -8.346 -0.044 1.00 0.81 C ATOM 655 O LEU A 48 -13.828 -7.400 -0.464 1.00 0.78 O ATOM 656 CB LEU A 48 -15.260 -9.094 2.283 1.00 1.15 C ATOM 657 CG LEU A 48 -16.082 -8.720 3.524 1.00 1.37 C ATOM 658 CD1 LEU A 48 -16.343 -9.926 4.404 1.00 1.71 C ATOM 659 CD2 LEU A 48 -15.378 -7.630 4.316 1.00 1.66 C ATOM 0 H LEU A 48 -17.363 -7.343 0.735 1.00 0.77 H new ATOM 0 HA LEU A 48 -15.282 -7.128 1.478 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -15.522 -10.105 1.971 1.00 1.15 H new ATOM 0 HB3 LEU A 48 -14.202 -9.105 2.544 1.00 1.15 H new ATOM 0 HG LEU A 48 -17.046 -8.344 3.182 1.00 1.37 H new ATOM 0 HD11 LEU A 48 -16.927 -9.623 5.273 1.00 1.71 H new ATOM 0 HD12 LEU A 48 -16.896 -10.676 3.839 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -15.394 -10.348 4.735 1.00 1.71 H new ATOM 0 HD21 LEU A 48 -15.973 -7.375 5.193 1.00 1.66 H new ATOM 0 HD22 LEU A 48 -14.398 -7.986 4.633 1.00 1.66 H new ATOM 0 HD23 LEU A 48 -15.257 -6.746 3.690 1.00 1.66 H new ATOM 671 N ASP A 49 -14.406 -9.548 -0.591 1.00 0.83 N ATOM 672 CA ASP A 49 -13.484 -9.827 -1.704 1.00 0.83 C ATOM 673 C ASP A 49 -14.111 -9.478 -3.063 1.00 0.75 C ATOM 674 O ASP A 49 -14.727 -10.317 -3.724 1.00 0.83 O ATOM 675 CB ASP A 49 -13.038 -11.294 -1.678 1.00 1.00 C ATOM 676 CG ASP A 49 -12.268 -11.715 -2.918 1.00 1.20 C ATOM 677 OD1 ASP A 49 -11.079 -11.364 -3.038 1.00 1.87 O ATOM 678 OD2 ASP A 49 -12.850 -12.414 -3.777 1.00 1.53 O ATOM 0 H ASP A 49 -14.961 -10.349 -0.291 1.00 0.83 H new ATOM 0 HA ASP A 49 -12.608 -9.191 -1.573 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -12.415 -11.461 -0.799 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -13.916 -11.931 -1.572 1.00 1.00 H new ATOM 683 N GLU A 50 -13.983 -8.218 -3.441 1.00 0.66 N ATOM 684 CA GLU A 50 -14.418 -7.731 -4.753 1.00 0.72 C ATOM 685 C GLU A 50 -13.499 -6.593 -5.175 1.00 0.62 C ATOM 686 O GLU A 50 -13.320 -6.307 -6.359 1.00 0.68 O ATOM 687 CB GLU A 50 -15.878 -7.280 -4.726 1.00 0.94 C ATOM 688 CG GLU A 50 -16.405 -6.762 -6.054 1.00 1.25 C ATOM 689 CD GLU A 50 -16.480 -7.838 -7.120 1.00 1.93 C ATOM 690 OE1 GLU A 50 -17.377 -8.700 -7.030 1.00 2.66 O ATOM 691 OE2 GLU A 50 -15.664 -7.806 -8.063 1.00 2.35 O ATOM 0 H GLU A 50 -13.574 -7.495 -2.849 1.00 0.66 H new ATOM 0 HA GLU A 50 -14.355 -8.542 -5.479 1.00 0.72 H new ATOM 0 HB2 GLU A 50 -16.497 -8.118 -4.406 1.00 0.94 H new ATOM 0 HB3 GLU A 50 -15.989 -6.497 -3.976 1.00 0.94 H new ATOM 0 HG2 GLU A 50 -17.397 -6.337 -5.904 1.00 1.25 H new ATOM 0 HG3 GLU A 50 -15.762 -5.955 -6.404 1.00 1.25 H new ATOM 698 N ALA A 51 -12.916 -5.949 -4.174 1.00 0.52 N ATOM 699 CA ALA A 51 -11.905 -4.940 -4.396 1.00 0.43 C ATOM 700 C ALA A 51 -10.594 -5.630 -4.719 1.00 0.32 C ATOM 701 O ALA A 51 -10.440 -6.827 -4.467 1.00 0.33 O ATOM 702 CB ALA A 51 -11.742 -4.085 -3.158 1.00 0.50 C ATOM 0 H ALA A 51 -13.133 -6.114 -3.191 1.00 0.52 H new ATOM 0 HA ALA A 51 -12.203 -4.298 -5.225 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -10.978 -3.328 -3.336 1.00 0.50 H new ATOM 0 HB2 ALA A 51 -12.689 -3.597 -2.926 1.00 0.50 H new ATOM 0 HB3 ALA A 51 -11.442 -4.713 -2.319 1.00 0.50 H new ATOM 708 N VAL A 52 -9.662 -4.895 -5.294 1.00 0.28 N ATOM 709 CA VAL A 52 -8.407 -5.483 -5.718 1.00 0.26 C ATOM 710 C VAL A 52 -7.563 -5.841 -4.510 1.00 0.22 C ATOM 711 O VAL A 52 -7.460 -5.082 -3.546 1.00 0.23 O ATOM 712 CB VAL A 52 -7.608 -4.601 -6.702 1.00 0.29 C ATOM 713 CG1 VAL A 52 -8.393 -4.408 -7.990 1.00 0.38 C ATOM 714 CG2 VAL A 52 -7.241 -3.263 -6.083 1.00 0.31 C ATOM 0 H VAL A 52 -9.749 -3.895 -5.477 1.00 0.28 H new ATOM 0 HA VAL A 52 -8.661 -6.388 -6.270 1.00 0.26 H new ATOM 0 HB VAL A 52 -6.675 -5.115 -6.935 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -7.819 -3.784 -8.676 1.00 0.38 H new ATOM 0 HG12 VAL A 52 -8.580 -5.378 -8.451 1.00 0.38 H new ATOM 0 HG13 VAL A 52 -9.344 -3.923 -7.768 1.00 0.38 H new ATOM 0 HG21 VAL A 52 -6.680 -2.670 -6.805 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -8.150 -2.730 -5.804 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -6.630 -3.428 -5.196 1.00 0.31 H new ATOM 724 N LYS A 53 -6.997 -7.025 -4.568 1.00 0.22 N ATOM 725 CA LYS A 53 -6.378 -7.653 -3.411 1.00 0.22 C ATOM 726 C LYS A 53 -4.916 -7.356 -3.387 1.00 0.18 C ATOM 727 O LYS A 53 -4.207 -7.556 -4.372 1.00 0.24 O ATOM 728 CB LYS A 53 -6.565 -9.169 -3.447 1.00 0.35 C ATOM 729 CG LYS A 53 -7.964 -9.631 -3.099 1.00 0.78 C ATOM 730 CD LYS A 53 -8.053 -11.149 -3.073 1.00 1.12 C ATOM 731 CE LYS A 53 -8.120 -11.739 -4.470 1.00 1.37 C ATOM 732 NZ LYS A 53 -9.370 -11.344 -5.172 1.00 1.59 N ATOM 0 H LYS A 53 -6.950 -7.585 -5.419 1.00 0.22 H new ATOM 0 HA LYS A 53 -6.858 -7.251 -2.519 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -6.312 -9.531 -4.444 1.00 0.35 H new ATOM 0 HB3 LYS A 53 -5.860 -9.627 -2.753 1.00 0.35 H new ATOM 0 HG2 LYS A 53 -8.250 -9.231 -2.126 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -8.672 -9.235 -3.827 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -7.187 -11.554 -2.550 1.00 1.12 H new ATOM 0 HD3 LYS A 53 -8.936 -11.451 -2.509 1.00 1.12 H new ATOM 0 HE2 LYS A 53 -7.257 -11.407 -5.048 1.00 1.37 H new ATOM 0 HE3 LYS A 53 -8.064 -12.826 -4.410 1.00 1.37 H new ATOM 0 HZ1 LYS A 53 -9.737 -12.155 -5.709 1.00 1.59 H new ATOM 0 HZ2 LYS A 53 -10.079 -11.041 -4.474 1.00 1.59 H new ATOM 0 HZ3 LYS A 53 -9.169 -10.559 -5.824 1.00 1.59 H new ATOM 746 N PHE A 54 -4.481 -6.851 -2.257 1.00 0.18 N ATOM 747 CA PHE A 54 -3.119 -6.498 -2.086 1.00 0.19 C ATOM 748 C PHE A 54 -2.404 -7.554 -1.286 1.00 0.20 C ATOM 749 O PHE A 54 -3.021 -8.351 -0.573 1.00 0.23 O ATOM 750 CB PHE A 54 -2.998 -5.123 -1.431 1.00 0.25 C ATOM 751 CG PHE A 54 -3.389 -4.007 -2.358 1.00 1.22 C ATOM 752 CD1 PHE A 54 -4.716 -3.643 -2.510 1.00 1.57 C ATOM 753 CD2 PHE A 54 -2.426 -3.335 -3.090 1.00 1.95 C ATOM 754 CE1 PHE A 54 -5.072 -2.627 -3.375 1.00 2.60 C ATOM 755 CE2 PHE A 54 -2.775 -2.317 -3.953 1.00 2.98 C ATOM 756 CZ PHE A 54 -4.101 -1.964 -4.097 1.00 3.31 C ATOM 0 H PHE A 54 -5.070 -6.679 -1.442 1.00 0.18 H new ATOM 0 HA PHE A 54 -2.644 -6.439 -3.065 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -3.629 -5.091 -0.543 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -1.971 -4.972 -1.099 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -5.480 -4.158 -1.947 1.00 1.57 H new ATOM 0 HD2 PHE A 54 -1.387 -3.611 -2.984 1.00 1.95 H new ATOM 0 HE1 PHE A 54 -6.110 -2.351 -3.486 1.00 2.60 H new ATOM 0 HE2 PHE A 54 -2.012 -1.798 -4.514 1.00 2.98 H new ATOM 0 HZ PHE A 54 -4.379 -1.170 -4.774 1.00 3.31 H new ATOM 766 N ASP A 55 -1.103 -7.518 -1.392 1.00 0.21 N ATOM 767 CA ASP A 55 -0.249 -8.468 -0.721 1.00 0.22 C ATOM 768 C ASP A 55 0.918 -7.700 -0.153 1.00 0.23 C ATOM 769 O ASP A 55 1.536 -6.899 -0.859 1.00 0.27 O ATOM 770 CB ASP A 55 0.318 -9.522 -1.697 1.00 0.24 C ATOM 771 CG ASP A 55 -0.676 -10.073 -2.711 1.00 1.33 C ATOM 772 OD1 ASP A 55 -1.851 -10.280 -2.336 1.00 1.89 O ATOM 773 OD2 ASP A 55 -0.311 -10.284 -3.875 1.00 1.93 O ATOM 0 H ASP A 55 -0.601 -6.826 -1.948 1.00 0.21 H new ATOM 0 HA ASP A 55 -0.832 -8.983 0.043 1.00 0.22 H new ATOM 0 HB2 ASP A 55 1.155 -9.080 -2.237 1.00 0.24 H new ATOM 0 HB3 ASP A 55 0.717 -10.353 -1.116 1.00 0.24 H new ATOM 778 N MET A 56 1.214 -7.932 1.110 1.00 0.24 N ATOM 779 CA MET A 56 2.314 -7.261 1.749 1.00 0.25 C ATOM 780 C MET A 56 3.483 -8.206 1.874 1.00 0.25 C ATOM 781 O MET A 56 3.340 -9.359 2.275 1.00 0.30 O ATOM 782 CB MET A 56 1.932 -6.750 3.144 1.00 0.33 C ATOM 783 CG MET A 56 0.678 -5.890 3.184 1.00 0.97 C ATOM 784 SD MET A 56 -0.837 -6.867 3.144 1.00 1.19 S ATOM 785 CE MET A 56 -2.071 -5.581 3.309 1.00 1.85 C ATOM 0 H MET A 56 0.705 -8.581 1.709 1.00 0.24 H new ATOM 0 HA MET A 56 2.583 -6.404 1.131 1.00 0.25 H new ATOM 0 HB2 MET A 56 1.790 -7.606 3.804 1.00 0.33 H new ATOM 0 HB3 MET A 56 2.765 -6.173 3.545 1.00 0.33 H new ATOM 0 HG2 MET A 56 0.689 -5.281 4.088 1.00 0.97 H new ATOM 0 HG3 MET A 56 0.686 -5.204 2.337 1.00 0.97 H new ATOM 0 HE1 MET A 56 -3.065 -6.014 3.195 1.00 1.85 H new ATOM 0 HE2 MET A 56 -1.987 -5.120 4.293 1.00 1.85 H new ATOM 0 HE3 MET A 56 -1.914 -4.825 2.540 1.00 1.85 H new ATOM 795 N GLY A 57 4.631 -7.709 1.506 1.00 0.26 N ATOM 796 CA GLY A 57 5.856 -8.424 1.690 1.00 0.32 C ATOM 797 C GLY A 57 6.905 -7.455 2.137 1.00 0.31 C ATOM 798 O GLY A 57 7.048 -6.407 1.525 1.00 0.35 O ATOM 0 H GLY A 57 4.740 -6.794 1.069 1.00 0.26 H new ATOM 0 HA2 GLY A 57 5.727 -9.213 2.431 1.00 0.32 H new ATOM 0 HA3 GLY A 57 6.157 -8.907 0.760 1.00 0.32 H new ATOM 802 N ALA A 58 7.623 -7.739 3.189 1.00 0.37 N ATOM 803 CA ALA A 58 8.547 -6.744 3.689 1.00 0.38 C ATOM 804 C ALA A 58 9.858 -6.835 2.937 1.00 0.42 C ATOM 805 O ALA A 58 10.268 -7.908 2.494 1.00 0.61 O ATOM 806 CB ALA A 58 8.772 -6.916 5.179 1.00 0.51 C ATOM 0 H ALA A 58 7.594 -8.618 3.706 1.00 0.37 H new ATOM 0 HA ALA A 58 8.116 -5.756 3.528 1.00 0.38 H new ATOM 0 HB1 ALA A 58 9.470 -6.157 5.532 1.00 0.51 H new ATOM 0 HB2 ALA A 58 7.823 -6.809 5.705 1.00 0.51 H new ATOM 0 HB3 ALA A 58 9.185 -7.906 5.373 1.00 0.51 H new ATOM 812 N TYR A 59 10.481 -5.705 2.727 1.00 0.45 N ATOM 813 CA TYR A 59 11.785 -5.699 2.098 1.00 0.61 C ATOM 814 C TYR A 59 12.679 -4.717 2.810 1.00 0.72 C ATOM 815 O TYR A 59 12.206 -3.889 3.583 1.00 0.81 O ATOM 816 CB TYR A 59 11.706 -5.410 0.600 1.00 0.93 C ATOM 817 CG TYR A 59 11.362 -3.981 0.248 1.00 1.64 C ATOM 818 CD1 TYR A 59 12.352 -3.016 0.146 1.00 2.54 C ATOM 819 CD2 TYR A 59 10.048 -3.595 0.027 1.00 2.01 C ATOM 820 CE1 TYR A 59 12.043 -1.709 -0.166 1.00 3.70 C ATOM 821 CE2 TYR A 59 9.730 -2.291 -0.287 1.00 3.08 C ATOM 822 CZ TYR A 59 10.731 -1.361 -0.420 1.00 3.92 C ATOM 823 OH TYR A 59 10.419 -0.056 -0.703 1.00 5.11 O ATOM 0 H TYR A 59 10.117 -4.786 2.977 1.00 0.45 H new ATOM 0 HA TYR A 59 12.213 -6.697 2.186 1.00 0.61 H new ATOM 0 HB2 TYR A 59 12.664 -5.661 0.145 1.00 0.93 H new ATOM 0 HB3 TYR A 59 10.960 -6.069 0.156 1.00 0.93 H new ATOM 0 HD1 TYR A 59 13.382 -3.293 0.314 1.00 2.54 H new ATOM 0 HD2 TYR A 59 9.260 -4.330 0.102 1.00 2.01 H new ATOM 0 HE1 TYR A 59 12.822 -0.962 -0.211 1.00 3.70 H new ATOM 0 HE2 TYR A 59 8.699 -2.002 -0.428 1.00 3.08 H new ATOM 0 HH TYR A 59 10.035 0.001 -1.603 1.00 5.11 H new ATOM 833 N LYS A 60 13.967 -4.826 2.588 1.00 0.92 N ATOM 834 CA LYS A 60 14.903 -4.040 3.369 1.00 1.13 C ATOM 835 C LYS A 60 16.011 -3.377 2.552 1.00 1.50 C ATOM 836 O LYS A 60 16.609 -3.966 1.660 1.00 1.77 O ATOM 837 CB LYS A 60 15.520 -4.899 4.467 1.00 1.30 C ATOM 838 CG LYS A 60 15.926 -4.084 5.683 1.00 1.66 C ATOM 839 CD LYS A 60 16.459 -4.949 6.807 1.00 2.14 C ATOM 840 CE LYS A 60 16.409 -4.210 8.135 1.00 2.79 C ATOM 841 NZ LYS A 60 17.055 -2.870 8.062 1.00 3.47 N ATOM 0 H LYS A 60 14.389 -5.437 1.889 1.00 0.92 H new ATOM 0 HA LYS A 60 14.316 -3.227 3.796 1.00 1.13 H new ATOM 0 HB2 LYS A 60 14.806 -5.665 4.769 1.00 1.30 H new ATOM 0 HB3 LYS A 60 16.394 -5.416 4.071 1.00 1.30 H new ATOM 0 HG2 LYS A 60 16.687 -3.359 5.394 1.00 1.66 H new ATOM 0 HG3 LYS A 60 15.066 -3.517 6.041 1.00 1.66 H new ATOM 0 HD2 LYS A 60 15.873 -5.865 6.875 1.00 2.14 H new ATOM 0 HD3 LYS A 60 17.486 -5.243 6.589 1.00 2.14 H new ATOM 0 HE2 LYS A 60 15.370 -4.094 8.444 1.00 2.79 H new ATOM 0 HE3 LYS A 60 16.904 -4.808 8.900 1.00 2.79 H new ATOM 0 HZ1 LYS A 60 17.164 -2.484 9.022 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 17.991 -2.959 7.617 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 16.462 -2.229 7.496 1.00 3.47 H new ATOM 855 N SER A 61 16.215 -2.114 2.821 1.00 1.67 N ATOM 856 CA SER A 61 17.465 -1.464 2.506 1.00 2.15 C ATOM 857 C SER A 61 17.845 -0.695 3.749 1.00 2.02 C ATOM 858 O SER A 61 16.966 -0.357 4.529 1.00 1.72 O ATOM 859 CB SER A 61 17.308 -0.527 1.306 1.00 2.67 C ATOM 860 OG SER A 61 18.541 0.092 0.969 1.00 3.06 O ATOM 0 H SER A 61 15.524 -1.507 3.263 1.00 1.67 H new ATOM 0 HA SER A 61 18.235 -2.185 2.230 1.00 2.15 H new ATOM 0 HB2 SER A 61 16.935 -1.089 0.450 1.00 2.67 H new ATOM 0 HB3 SER A 61 16.565 0.238 1.534 1.00 2.67 H new ATOM 0 HG SER A 61 18.369 0.980 0.591 1.00 3.06 H new ATOM 866 N SER A 62 19.114 -0.414 3.972 1.00 2.37 N ATOM 867 CA SER A 62 19.458 0.339 5.164 1.00 2.25 C ATOM 868 C SER A 62 19.428 1.826 4.849 1.00 2.37 C ATOM 869 O SER A 62 20.304 2.588 5.258 1.00 2.59 O ATOM 870 CB SER A 62 20.841 -0.083 5.663 1.00 2.65 C ATOM 871 OG SER A 62 20.923 -1.493 5.792 1.00 2.99 O ATOM 0 H SER A 62 19.895 -0.681 3.373 1.00 2.37 H new ATOM 0 HA SER A 62 18.732 0.134 5.951 1.00 2.25 H new ATOM 0 HB2 SER A 62 21.605 0.268 4.969 1.00 2.65 H new ATOM 0 HB3 SER A 62 21.044 0.387 6.625 1.00 2.65 H new ATOM 0 HG SER A 62 21.816 -1.741 6.111 1.00 2.99 H new ATOM 877 N LYS A 63 18.404 2.222 4.106 1.00 2.37 N ATOM 878 CA LYS A 63 18.148 3.615 3.813 1.00 2.64 C ATOM 879 C LYS A 63 16.725 4.004 4.188 1.00 2.48 C ATOM 880 O LYS A 63 16.116 4.826 3.501 1.00 2.87 O ATOM 881 CB LYS A 63 18.402 3.903 2.330 1.00 3.20 C ATOM 882 CG LYS A 63 19.871 3.828 1.940 1.00 3.62 C ATOM 883 CD LYS A 63 20.715 4.773 2.779 1.00 4.18 C ATOM 884 CE LYS A 63 20.318 6.224 2.569 1.00 4.77 C ATOM 885 NZ LYS A 63 20.879 7.106 3.623 1.00 5.27 N ATOM 0 H LYS A 63 17.729 1.580 3.691 1.00 2.37 H new ATOM 0 HA LYS A 63 18.832 4.215 4.413 1.00 2.64 H new ATOM 0 HB2 LYS A 63 17.838 3.191 1.728 1.00 3.20 H new ATOM 0 HB3 LYS A 63 18.021 4.896 2.090 1.00 3.20 H new ATOM 0 HG2 LYS A 63 20.231 2.807 2.066 1.00 3.62 H new ATOM 0 HG3 LYS A 63 19.982 4.077 0.885 1.00 3.62 H new ATOM 0 HD2 LYS A 63 20.609 4.516 3.833 1.00 4.18 H new ATOM 0 HD3 LYS A 63 21.767 4.644 2.524 1.00 4.18 H new ATOM 0 HE2 LYS A 63 20.666 6.558 1.592 1.00 4.77 H new ATOM 0 HE3 LYS A 63 19.231 6.307 2.566 1.00 4.77 H new ATOM 0 HZ1 LYS A 63 20.586 8.088 3.446 1.00 5.27 H new ATOM 0 HZ2 LYS A 63 20.527 6.802 4.553 1.00 5.27 H new ATOM 0 HZ3 LYS A 63 21.917 7.046 3.609 1.00 5.27 H new ATOM 899 N ASP A 64 16.171 3.413 5.245 1.00 2.02 N ATOM 900 CA ASP A 64 14.782 3.701 5.582 1.00 2.02 C ATOM 901 C ASP A 64 14.697 5.059 6.277 1.00 2.36 C ATOM 902 O ASP A 64 15.204 6.064 5.772 1.00 2.81 O ATOM 903 CB ASP A 64 14.242 2.632 6.537 1.00 1.53 C ATOM 904 CG ASP A 64 14.827 1.252 6.313 1.00 1.63 C ATOM 905 OD1 ASP A 64 14.296 0.502 5.470 1.00 1.88 O ATOM 906 OD2 ASP A 64 15.819 0.915 7.005 1.00 1.89 O ATOM 0 H ASP A 64 16.644 2.754 5.863 1.00 2.02 H new ATOM 0 HA ASP A 64 14.193 3.708 4.665 1.00 2.02 H new ATOM 0 HB2 ASP A 64 14.446 2.940 7.563 1.00 1.53 H new ATOM 0 HB3 ASP A 64 13.159 2.578 6.430 1.00 1.53 H new ATOM 911 N ASP A 65 14.058 5.108 7.434 1.00 2.27 N ATOM 912 CA ASP A 65 14.283 6.193 8.372 1.00 2.65 C ATOM 913 C ASP A 65 14.576 5.641 9.766 1.00 2.35 C ATOM 914 O ASP A 65 15.724 5.481 10.178 1.00 2.28 O ATOM 915 CB ASP A 65 13.072 7.125 8.378 1.00 3.22 C ATOM 916 CG ASP A 65 13.065 8.087 9.541 1.00 3.59 C ATOM 917 OD1 ASP A 65 14.007 8.899 9.623 1.00 4.06 O ATOM 918 OD2 ASP A 65 12.132 8.036 10.363 1.00 3.75 O ATOM 0 H ASP A 65 13.381 4.411 7.745 1.00 2.27 H new ATOM 0 HA ASP A 65 15.155 6.768 8.060 1.00 2.65 H new ATOM 0 HB2 ASP A 65 13.053 7.691 7.447 1.00 3.22 H new ATOM 0 HB3 ASP A 65 12.162 6.526 8.405 1.00 3.22 H new ATOM 923 N ALA A 66 13.488 5.346 10.470 1.00 2.40 N ATOM 924 CA ALA A 66 13.485 4.577 11.704 1.00 2.34 C ATOM 925 C ALA A 66 12.407 3.512 11.583 1.00 2.24 C ATOM 926 O ALA A 66 11.922 2.965 12.571 1.00 2.63 O ATOM 927 CB ALA A 66 13.228 5.479 12.901 1.00 2.98 C ATOM 0 H ALA A 66 12.556 5.646 10.186 1.00 2.40 H new ATOM 0 HA ALA A 66 14.457 4.109 11.861 1.00 2.34 H new ATOM 0 HB1 ALA A 66 13.230 4.882 13.813 1.00 2.98 H new ATOM 0 HB2 ALA A 66 14.010 6.236 12.961 1.00 2.98 H new ATOM 0 HB3 ALA A 66 12.259 5.966 12.788 1.00 2.98 H new ATOM 933 N LYS A 67 12.036 3.245 10.343 1.00 1.96 N ATOM 934 CA LYS A 67 10.786 2.577 10.021 1.00 1.89 C ATOM 935 C LYS A 67 10.966 1.684 8.809 1.00 1.44 C ATOM 936 O LYS A 67 11.703 2.021 7.893 1.00 1.95 O ATOM 937 CB LYS A 67 9.685 3.618 9.775 1.00 2.82 C ATOM 938 CG LYS A 67 10.107 4.813 8.926 1.00 3.45 C ATOM 939 CD LYS A 67 8.918 5.712 8.616 1.00 4.32 C ATOM 940 CE LYS A 67 9.332 6.982 7.883 1.00 5.01 C ATOM 941 NZ LYS A 67 9.923 7.998 8.796 1.00 5.31 N ATOM 0 H LYS A 67 12.597 3.487 9.526 1.00 1.96 H new ATOM 0 HA LYS A 67 10.488 1.951 10.862 1.00 1.89 H new ATOM 0 HB2 LYS A 67 8.842 3.126 9.290 1.00 2.82 H new ATOM 0 HB3 LYS A 67 9.329 3.983 10.738 1.00 2.82 H new ATOM 0 HG2 LYS A 67 10.872 5.385 9.452 1.00 3.45 H new ATOM 0 HG3 LYS A 67 10.554 4.462 7.996 1.00 3.45 H new ATOM 0 HD2 LYS A 67 8.198 5.163 8.009 1.00 4.32 H new ATOM 0 HD3 LYS A 67 8.414 5.979 9.545 1.00 4.32 H new ATOM 0 HE2 LYS A 67 10.055 6.731 7.107 1.00 5.01 H new ATOM 0 HE3 LYS A 67 8.463 7.409 7.383 1.00 5.01 H new ATOM 0 HZ1 LYS A 67 10.414 8.724 8.236 1.00 5.31 H new ATOM 0 HZ2 LYS A 67 9.168 8.444 9.354 1.00 5.31 H new ATOM 0 HZ3 LYS A 67 10.601 7.537 9.436 1.00 5.31 H new ATOM 955 N ILE A 68 10.279 0.556 8.820 1.00 0.88 N ATOM 956 CA ILE A 68 10.529 -0.521 7.889 1.00 0.76 C ATOM 957 C ILE A 68 9.480 -0.548 6.820 1.00 0.43 C ATOM 958 O ILE A 68 8.339 -0.121 7.035 1.00 0.37 O ATOM 959 CB ILE A 68 10.620 -1.913 8.564 1.00 0.97 C ATOM 960 CG1 ILE A 68 9.527 -2.113 9.626 1.00 1.07 C ATOM 961 CG2 ILE A 68 12.000 -2.117 9.172 1.00 1.51 C ATOM 962 CD1 ILE A 68 8.170 -2.479 9.063 1.00 1.66 C ATOM 0 H ILE A 68 9.527 0.364 9.482 1.00 0.88 H new ATOM 0 HA ILE A 68 11.505 -0.316 7.450 1.00 0.76 H new ATOM 0 HB ILE A 68 10.458 -2.663 7.790 1.00 0.97 H new ATOM 0 HG12 ILE A 68 9.845 -2.896 10.314 1.00 1.07 H new ATOM 0 HG13 ILE A 68 9.431 -1.197 10.208 1.00 1.07 H new ATOM 0 HG21 ILE A 68 12.049 -3.099 9.642 1.00 1.51 H new ATOM 0 HG22 ILE A 68 12.756 -2.052 8.389 1.00 1.51 H new ATOM 0 HG23 ILE A 68 12.185 -1.347 9.920 1.00 1.51 H new ATOM 0 HD11 ILE A 68 7.458 -2.601 9.879 1.00 1.66 H new ATOM 0 HD12 ILE A 68 7.826 -1.687 8.398 1.00 1.66 H new ATOM 0 HD13 ILE A 68 8.247 -3.413 8.506 1.00 1.66 H new ATOM 974 N THR A 69 9.868 -1.047 5.677 1.00 0.47 N ATOM 975 CA THR A 69 9.049 -0.949 4.516 1.00 0.38 C ATOM 976 C THR A 69 8.456 -2.299 4.156 1.00 0.34 C ATOM 977 O THR A 69 9.121 -3.339 4.204 1.00 0.46 O ATOM 978 CB THR A 69 9.842 -0.393 3.322 1.00 0.55 C ATOM 979 OG1 THR A 69 9.115 -0.634 2.120 1.00 1.50 O ATOM 980 CG2 THR A 69 11.227 -1.014 3.230 1.00 1.23 C ATOM 0 H THR A 69 10.756 -1.528 5.533 1.00 0.47 H new ATOM 0 HA THR A 69 8.238 -0.258 4.746 1.00 0.38 H new ATOM 0 HB THR A 69 9.973 0.679 3.467 1.00 0.55 H new ATOM 0 HG1 THR A 69 9.707 -1.045 1.456 1.00 1.50 H new ATOM 0 HG21 THR A 69 11.757 -0.596 2.374 1.00 1.23 H new ATOM 0 HG22 THR A 69 11.784 -0.798 4.142 1.00 1.23 H new ATOM 0 HG23 THR A 69 11.134 -2.093 3.108 1.00 1.23 H new ATOM 988 N VAL A 70 7.188 -2.259 3.826 1.00 0.27 N ATOM 989 CA VAL A 70 6.466 -3.413 3.365 1.00 0.28 C ATOM 990 C VAL A 70 5.968 -3.111 1.966 1.00 0.26 C ATOM 991 O VAL A 70 5.976 -1.952 1.550 1.00 0.29 O ATOM 992 CB VAL A 70 5.279 -3.764 4.295 1.00 0.33 C ATOM 993 CG1 VAL A 70 5.761 -4.008 5.720 1.00 0.98 C ATOM 994 CG2 VAL A 70 4.219 -2.671 4.268 1.00 1.06 C ATOM 0 H VAL A 70 6.623 -1.411 3.872 1.00 0.27 H new ATOM 0 HA VAL A 70 7.128 -4.279 3.367 1.00 0.28 H new ATOM 0 HB VAL A 70 4.826 -4.683 3.924 1.00 0.33 H new ATOM 0 HG11 VAL A 70 4.910 -4.253 6.355 1.00 0.98 H new ATOM 0 HG12 VAL A 70 6.470 -4.836 5.728 1.00 0.98 H new ATOM 0 HG13 VAL A 70 6.249 -3.110 6.098 1.00 0.98 H new ATOM 0 HG21 VAL A 70 3.398 -2.944 4.930 1.00 1.06 H new ATOM 0 HG22 VAL A 70 4.657 -1.731 4.603 1.00 1.06 H new ATOM 0 HG23 VAL A 70 3.842 -2.554 3.252 1.00 1.06 H new ATOM 1004 N ILE A 71 5.567 -4.144 1.252 1.00 0.25 N ATOM 1005 CA ILE A 71 5.173 -4.023 -0.140 1.00 0.28 C ATOM 1006 C ILE A 71 3.665 -4.047 -0.268 1.00 0.28 C ATOM 1007 O ILE A 71 3.015 -4.915 0.296 1.00 0.33 O ATOM 1008 CB ILE A 71 5.764 -5.196 -0.958 1.00 0.39 C ATOM 1009 CG1 ILE A 71 7.249 -4.961 -1.209 1.00 1.29 C ATOM 1010 CG2 ILE A 71 5.009 -5.419 -2.264 1.00 1.34 C ATOM 1011 CD1 ILE A 71 7.940 -6.129 -1.865 1.00 2.12 C ATOM 0 H ILE A 71 5.505 -5.093 1.620 1.00 0.25 H new ATOM 0 HA ILE A 71 5.552 -3.075 -0.522 1.00 0.28 H new ATOM 0 HB ILE A 71 5.648 -6.108 -0.372 1.00 0.39 H new ATOM 0 HG12 ILE A 71 7.368 -4.079 -1.838 1.00 1.29 H new ATOM 0 HG13 ILE A 71 7.740 -4.745 -0.260 1.00 1.29 H new ATOM 0 HG21 ILE A 71 5.458 -6.252 -2.806 1.00 1.34 H new ATOM 0 HG22 ILE A 71 3.966 -5.648 -2.047 1.00 1.34 H new ATOM 0 HG23 ILE A 71 5.063 -4.517 -2.874 1.00 1.34 H new ATOM 0 HD11 ILE A 71 8.994 -5.892 -2.013 1.00 2.12 H new ATOM 0 HD12 ILE A 71 7.852 -7.009 -1.227 1.00 2.12 H new ATOM 0 HD13 ILE A 71 7.475 -6.332 -2.829 1.00 2.12 H new ATOM 1023 N LEU A 72 3.103 -3.071 -0.958 1.00 0.28 N ATOM 1024 CA LEU A 72 1.692 -3.137 -1.306 1.00 0.29 C ATOM 1025 C LEU A 72 1.541 -3.435 -2.799 1.00 0.27 C ATOM 1026 O LEU A 72 1.916 -2.622 -3.641 1.00 0.30 O ATOM 1027 CB LEU A 72 0.994 -1.826 -0.940 1.00 0.33 C ATOM 1028 CG LEU A 72 -0.509 -1.932 -0.684 1.00 0.37 C ATOM 1029 CD1 LEU A 72 -0.782 -2.848 0.500 1.00 0.79 C ATOM 1030 CD2 LEU A 72 -1.106 -0.554 -0.443 1.00 0.88 C ATOM 0 H LEU A 72 3.590 -2.236 -1.285 1.00 0.28 H new ATOM 0 HA LEU A 72 1.221 -3.941 -0.741 1.00 0.29 H new ATOM 0 HB2 LEU A 72 1.469 -1.418 -0.048 1.00 0.33 H new ATOM 0 HB3 LEU A 72 1.159 -1.110 -1.745 1.00 0.33 H new ATOM 0 HG LEU A 72 -0.982 -2.361 -1.568 1.00 0.37 H new ATOM 0 HD11 LEU A 72 -1.857 -2.913 0.669 1.00 0.79 H new ATOM 0 HD12 LEU A 72 -0.387 -3.842 0.290 1.00 0.79 H new ATOM 0 HD13 LEU A 72 -0.298 -2.446 1.390 1.00 0.79 H new ATOM 0 HD21 LEU A 72 -2.177 -0.648 -0.262 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.630 -0.098 0.425 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -0.939 0.073 -1.319 1.00 0.88 H new ATOM 1042 N ARG A 73 0.987 -4.594 -3.126 1.00 0.24 N ATOM 1043 CA ARG A 73 0.822 -4.999 -4.521 1.00 0.24 C ATOM 1044 C ARG A 73 -0.548 -5.608 -4.741 1.00 0.21 C ATOM 1045 O ARG A 73 -1.061 -6.266 -3.856 1.00 0.24 O ATOM 1046 CB ARG A 73 1.873 -6.040 -4.897 1.00 0.28 C ATOM 1047 CG ARG A 73 1.712 -7.358 -4.155 1.00 0.43 C ATOM 1048 CD ARG A 73 1.759 -8.540 -5.109 1.00 0.58 C ATOM 1049 NE ARG A 73 2.910 -8.492 -6.010 1.00 0.91 N ATOM 1050 CZ ARG A 73 3.190 -9.438 -6.906 1.00 1.04 C ATOM 1051 NH1 ARG A 73 2.452 -10.541 -6.972 1.00 1.27 N ATOM 1052 NH2 ARG A 73 4.215 -9.277 -7.733 1.00 1.67 N ATOM 0 H ARG A 73 0.643 -5.273 -2.447 1.00 0.24 H new ATOM 0 HA ARG A 73 0.935 -4.110 -5.141 1.00 0.24 H new ATOM 0 HB2 ARG A 73 1.821 -6.227 -5.970 1.00 0.28 H new ATOM 0 HB3 ARG A 73 2.864 -5.635 -4.692 1.00 0.28 H new ATOM 0 HG2 ARG A 73 2.502 -7.457 -3.411 1.00 0.43 H new ATOM 0 HG3 ARG A 73 0.765 -7.361 -3.616 1.00 0.43 H new ATOM 0 HD2 ARG A 73 1.791 -9.465 -4.534 1.00 0.58 H new ATOM 0 HD3 ARG A 73 0.842 -8.563 -5.698 1.00 0.58 H new ATOM 0 HE ARG A 73 3.535 -7.688 -5.949 1.00 0.91 H new ATOM 0 HH11 ARG A 73 1.666 -10.667 -6.335 1.00 1.27 H new ATOM 0 HH12 ARG A 73 2.672 -11.261 -7.660 1.00 1.27 H new ATOM 0 HH21 ARG A 73 4.784 -8.432 -7.681 1.00 1.67 H new ATOM 0 HH22 ARG A 73 4.434 -9.998 -8.421 1.00 1.67 H new ATOM 1066 N ILE A 74 -1.136 -5.406 -5.908 1.00 0.22 N ATOM 1067 CA ILE A 74 -2.319 -6.153 -6.275 1.00 0.24 C ATOM 1068 C ILE A 74 -1.894 -7.495 -6.862 1.00 0.27 C ATOM 1069 O ILE A 74 -1.093 -7.549 -7.788 1.00 0.30 O ATOM 1070 CB ILE A 74 -3.212 -5.369 -7.266 1.00 0.31 C ATOM 1071 CG1 ILE A 74 -4.246 -6.295 -7.918 1.00 1.14 C ATOM 1072 CG2 ILE A 74 -2.366 -4.658 -8.316 1.00 1.30 C ATOM 1073 CD1 ILE A 74 -5.123 -5.604 -8.942 1.00 1.81 C ATOM 0 H ILE A 74 -0.815 -4.738 -6.609 1.00 0.22 H new ATOM 0 HA ILE A 74 -2.921 -6.319 -5.381 1.00 0.24 H new ATOM 0 HB ILE A 74 -3.754 -4.607 -6.706 1.00 0.31 H new ATOM 0 HG12 ILE A 74 -3.726 -7.124 -8.398 1.00 1.14 H new ATOM 0 HG13 ILE A 74 -4.879 -6.723 -7.140 1.00 1.14 H new ATOM 0 HG21 ILE A 74 -3.017 -4.114 -9.001 1.00 1.30 H new ATOM 0 HG22 ILE A 74 -1.690 -3.958 -7.825 1.00 1.30 H new ATOM 0 HG23 ILE A 74 -1.786 -5.393 -8.874 1.00 1.30 H new ATOM 0 HD11 ILE A 74 -5.829 -6.322 -9.360 1.00 1.81 H new ATOM 0 HD12 ILE A 74 -5.671 -4.792 -8.463 1.00 1.81 H new ATOM 0 HD13 ILE A 74 -4.501 -5.200 -9.741 1.00 1.81 H new ATOM 1085 N SER A 75 -2.402 -8.569 -6.271 1.00 0.30 N ATOM 1086 CA SER A 75 -2.067 -9.936 -6.670 1.00 0.38 C ATOM 1087 C SER A 75 -2.202 -10.164 -8.182 1.00 0.44 C ATOM 1088 O SER A 75 -1.578 -11.069 -8.739 1.00 0.50 O ATOM 1089 CB SER A 75 -2.976 -10.916 -5.930 1.00 0.47 C ATOM 1090 OG SER A 75 -3.311 -10.436 -4.637 1.00 1.16 O ATOM 0 H SER A 75 -3.063 -8.519 -5.496 1.00 0.30 H new ATOM 0 HA SER A 75 -1.022 -10.102 -6.409 1.00 0.38 H new ATOM 0 HB2 SER A 75 -3.887 -11.077 -6.507 1.00 0.47 H new ATOM 0 HB3 SER A 75 -2.478 -11.882 -5.844 1.00 0.47 H new ATOM 0 HG SER A 75 -2.594 -10.661 -4.008 1.00 1.16 H new ATOM 1096 N LYS A 76 -3.041 -9.359 -8.830 1.00 0.45 N ATOM 1097 CA LYS A 76 -3.410 -9.580 -10.224 1.00 0.54 C ATOM 1098 C LYS A 76 -2.391 -9.018 -11.221 1.00 0.55 C ATOM 1099 O LYS A 76 -1.860 -9.744 -12.061 1.00 0.61 O ATOM 1100 CB LYS A 76 -4.751 -8.892 -10.454 1.00 0.60 C ATOM 1101 CG LYS A 76 -5.925 -9.605 -9.800 1.00 1.21 C ATOM 1102 CD LYS A 76 -6.293 -10.873 -10.552 1.00 1.70 C ATOM 1103 CE LYS A 76 -6.816 -10.553 -11.942 1.00 2.16 C ATOM 1104 NZ LYS A 76 -7.092 -11.780 -12.730 1.00 2.51 N ATOM 0 H LYS A 76 -3.481 -8.542 -8.407 1.00 0.45 H new ATOM 0 HA LYS A 76 -3.453 -10.656 -10.395 1.00 0.54 H new ATOM 0 HB2 LYS A 76 -4.697 -7.873 -10.071 1.00 0.60 H new ATOM 0 HB3 LYS A 76 -4.933 -8.820 -11.526 1.00 0.60 H new ATOM 0 HG2 LYS A 76 -5.674 -9.852 -8.769 1.00 1.21 H new ATOM 0 HG3 LYS A 76 -6.786 -8.937 -9.767 1.00 1.21 H new ATOM 0 HD2 LYS A 76 -5.419 -11.520 -10.629 1.00 1.70 H new ATOM 0 HD3 LYS A 76 -7.050 -11.424 -9.993 1.00 1.70 H new ATOM 0 HE2 LYS A 76 -7.729 -9.963 -11.859 1.00 2.16 H new ATOM 0 HE3 LYS A 76 -6.087 -9.939 -12.471 1.00 2.16 H new ATOM 0 HZ1 LYS A 76 -7.447 -11.516 -13.671 1.00 2.51 H new ATOM 0 HZ2 LYS A 76 -6.216 -12.331 -12.832 1.00 2.51 H new ATOM 0 HZ3 LYS A 76 -7.807 -12.354 -12.239 1.00 2.51 H new ATOM 1118 N THR A 77 -2.130 -7.728 -11.122 1.00 0.51 N ATOM 1119 CA THR A 77 -1.212 -7.043 -12.022 1.00 0.53 C ATOM 1120 C THR A 77 0.015 -6.586 -11.251 1.00 0.47 C ATOM 1121 O THR A 77 0.021 -6.650 -10.026 1.00 0.46 O ATOM 1122 CB THR A 77 -1.905 -5.839 -12.684 1.00 0.62 C ATOM 1123 OG1 THR A 77 -2.679 -5.124 -11.710 1.00 1.45 O ATOM 1124 CG2 THR A 77 -2.810 -6.291 -13.818 1.00 1.29 C ATOM 0 H THR A 77 -2.547 -7.122 -10.416 1.00 0.51 H new ATOM 0 HA THR A 77 -0.904 -7.735 -12.806 1.00 0.53 H new ATOM 0 HB THR A 77 -1.135 -5.185 -13.092 1.00 0.62 H new ATOM 0 HG1 THR A 77 -3.274 -4.492 -12.165 1.00 1.45 H new ATOM 0 HG21 THR A 77 -3.288 -5.422 -14.270 1.00 1.29 H new ATOM 0 HG22 THR A 77 -2.218 -6.812 -14.571 1.00 1.29 H new ATOM 0 HG23 THR A 77 -3.574 -6.964 -13.428 1.00 1.29 H new ATOM 1132 N GLN A 78 1.052 -6.101 -11.924 1.00 0.50 N ATOM 1133 CA GLN A 78 2.201 -5.631 -11.175 1.00 0.49 C ATOM 1134 C GLN A 78 2.165 -4.116 -11.084 1.00 0.46 C ATOM 1135 O GLN A 78 3.020 -3.404 -11.625 1.00 0.48 O ATOM 1136 CB GLN A 78 3.486 -6.067 -11.874 1.00 0.59 C ATOM 1137 CG GLN A 78 3.587 -7.564 -12.109 1.00 1.49 C ATOM 1138 CD GLN A 78 4.628 -7.905 -13.155 1.00 2.14 C ATOM 1139 OE1 GLN A 78 4.777 -7.037 -14.145 1.00 2.69 O flip ATOM 1140 NE2 GLN A 78 5.279 -8.947 -13.084 1.00 2.90 N flip ATOM 0 H GLN A 78 1.119 -6.026 -12.939 1.00 0.50 H new ATOM 0 HA GLN A 78 2.173 -6.057 -10.172 1.00 0.49 H new ATOM 0 HB2 GLN A 78 3.557 -5.554 -12.833 1.00 0.59 H new ATOM 0 HB3 GLN A 78 4.339 -5.746 -11.276 1.00 0.59 H new ATOM 0 HG2 GLN A 78 3.838 -8.062 -11.172 1.00 1.49 H new ATOM 0 HG3 GLN A 78 2.617 -7.948 -12.424 1.00 1.49 H new ATOM 0 HE21 GLN A 78 5.132 -9.588 -12.304 1.00 2.90 H new ATOM 0 HE22 GLN A 78 5.965 -9.170 -13.805 1.00 2.90 H new ATOM 1149 N LEU A 79 1.190 -3.645 -10.329 1.00 0.46 N ATOM 1150 CA LEU A 79 1.118 -2.262 -9.931 1.00 0.45 C ATOM 1151 C LEU A 79 1.596 -2.133 -8.508 1.00 0.42 C ATOM 1152 O LEU A 79 0.973 -2.669 -7.585 1.00 0.54 O ATOM 1153 CB LEU A 79 -0.294 -1.688 -10.083 1.00 0.59 C ATOM 1154 CG LEU A 79 -0.695 -1.304 -11.513 1.00 0.95 C ATOM 1155 CD1 LEU A 79 0.369 -0.420 -12.145 1.00 1.95 C ATOM 1156 CD2 LEU A 79 -0.936 -2.537 -12.363 1.00 1.61 C ATOM 0 H LEU A 79 0.424 -4.219 -9.976 1.00 0.46 H new ATOM 0 HA LEU A 79 1.762 -1.682 -10.592 1.00 0.45 H new ATOM 0 HB2 LEU A 79 -1.009 -2.420 -9.707 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -0.380 -0.805 -9.450 1.00 0.59 H new ATOM 0 HG LEU A 79 -1.628 -0.743 -11.462 1.00 0.95 H new ATOM 0 HD11 LEU A 79 0.068 -0.157 -13.159 1.00 1.95 H new ATOM 0 HD12 LEU A 79 0.485 0.488 -11.554 1.00 1.95 H new ATOM 0 HD13 LEU A 79 1.317 -0.957 -12.175 1.00 1.95 H new ATOM 0 HD21 LEU A 79 -1.219 -2.234 -13.371 1.00 1.61 H new ATOM 0 HD22 LEU A 79 -0.025 -3.134 -12.405 1.00 1.61 H new ATOM 0 HD23 LEU A 79 -1.738 -3.130 -11.924 1.00 1.61 H new ATOM 1168 N TYR A 80 2.697 -1.456 -8.325 1.00 0.34 N ATOM 1169 CA TYR A 80 3.220 -1.238 -7.007 1.00 0.38 C ATOM 1170 C TYR A 80 2.933 0.187 -6.609 1.00 0.34 C ATOM 1171 O TYR A 80 2.933 1.080 -7.438 1.00 0.45 O ATOM 1172 CB TYR A 80 4.717 -1.556 -6.974 1.00 0.60 C ATOM 1173 CG TYR A 80 4.997 -3.045 -6.953 1.00 1.27 C ATOM 1174 CD1 TYR A 80 3.973 -3.975 -7.039 1.00 2.27 C ATOM 1175 CD2 TYR A 80 6.299 -3.516 -6.874 1.00 1.56 C ATOM 1176 CE1 TYR A 80 4.242 -5.332 -7.051 1.00 3.30 C ATOM 1177 CE2 TYR A 80 6.575 -4.862 -6.877 1.00 2.49 C ATOM 1178 CZ TYR A 80 5.469 -5.779 -6.862 1.00 3.33 C ATOM 1179 OH TYR A 80 5.832 -7.108 -6.991 1.00 4.39 O ATOM 0 H TYR A 80 3.250 -1.045 -9.077 1.00 0.34 H new ATOM 0 HA TYR A 80 2.740 -1.903 -6.289 1.00 0.38 H new ATOM 0 HB2 TYR A 80 5.198 -1.112 -7.846 1.00 0.60 H new ATOM 0 HB3 TYR A 80 5.163 -1.094 -6.094 1.00 0.60 H new ATOM 0 HD1 TYR A 80 2.950 -3.635 -7.098 1.00 2.27 H new ATOM 0 HD2 TYR A 80 7.113 -2.810 -6.809 1.00 1.56 H new ATOM 0 HE1 TYR A 80 3.438 -6.034 -7.217 1.00 3.30 H new ATOM 0 HE2 TYR A 80 7.594 -5.220 -6.890 1.00 2.49 H new ATOM 0 HH TYR A 80 5.731 -7.560 -6.127 1.00 4.39 H new ATOM 1189 N VAL A 81 2.681 0.397 -5.350 1.00 0.32 N ATOM 1190 CA VAL A 81 2.232 1.693 -4.893 1.00 0.32 C ATOM 1191 C VAL A 81 3.416 2.612 -4.693 1.00 0.32 C ATOM 1192 O VAL A 81 4.295 2.324 -3.890 1.00 0.36 O ATOM 1193 CB VAL A 81 1.437 1.592 -3.584 1.00 0.36 C ATOM 1194 CG1 VAL A 81 0.808 2.929 -3.232 1.00 0.46 C ATOM 1195 CG2 VAL A 81 0.375 0.507 -3.685 1.00 0.38 C ATOM 0 H VAL A 81 2.776 -0.306 -4.618 1.00 0.32 H new ATOM 0 HA VAL A 81 1.572 2.099 -5.660 1.00 0.32 H new ATOM 0 HB VAL A 81 2.127 1.321 -2.785 1.00 0.36 H new ATOM 0 HG11 VAL A 81 0.249 2.834 -2.301 1.00 0.46 H new ATOM 0 HG12 VAL A 81 1.590 3.679 -3.111 1.00 0.46 H new ATOM 0 HG13 VAL A 81 0.132 3.235 -4.031 1.00 0.46 H new ATOM 0 HG21 VAL A 81 -0.178 0.451 -2.747 1.00 0.38 H new ATOM 0 HG22 VAL A 81 -0.312 0.744 -4.498 1.00 0.38 H new ATOM 0 HG23 VAL A 81 0.853 -0.453 -3.883 1.00 0.38 H new ATOM 1205 N THR A 82 3.447 3.705 -5.434 1.00 0.32 N ATOM 1206 CA THR A 82 4.543 4.638 -5.321 1.00 0.32 C ATOM 1207 C THR A 82 4.136 5.762 -4.403 1.00 0.31 C ATOM 1208 O THR A 82 2.971 6.161 -4.342 1.00 0.32 O ATOM 1209 CB THR A 82 4.975 5.239 -6.686 1.00 0.32 C ATOM 1210 OG1 THR A 82 6.328 5.706 -6.628 1.00 1.22 O ATOM 1211 CG2 THR A 82 4.111 6.414 -7.079 1.00 1.37 C ATOM 0 H THR A 82 2.731 3.963 -6.113 1.00 0.32 H new ATOM 0 HA THR A 82 5.395 4.086 -4.926 1.00 0.32 H new ATOM 0 HB THR A 82 4.870 4.441 -7.420 1.00 0.32 H new ATOM 0 HG1 THR A 82 6.586 5.846 -5.693 1.00 1.22 H new ATOM 0 HG21 THR A 82 4.445 6.806 -8.039 1.00 1.37 H new ATOM 0 HG22 THR A 82 3.073 6.091 -7.160 1.00 1.37 H new ATOM 0 HG23 THR A 82 4.190 7.194 -6.321 1.00 1.37 H new ATOM 1219 N ALA A 83 5.092 6.232 -3.659 1.00 0.33 N ATOM 1220 CA ALA A 83 4.859 7.357 -2.783 1.00 0.32 C ATOM 1221 C ALA A 83 5.391 8.634 -3.410 1.00 0.27 C ATOM 1222 O ALA A 83 6.576 8.733 -3.738 1.00 0.31 O ATOM 1223 CB ALA A 83 5.482 7.115 -1.418 1.00 0.41 C ATOM 0 H ALA A 83 6.041 5.860 -3.636 1.00 0.33 H new ATOM 0 HA ALA A 83 3.784 7.470 -2.642 1.00 0.32 H new ATOM 0 HB1 ALA A 83 5.294 7.975 -0.775 1.00 0.41 H new ATOM 0 HB2 ALA A 83 5.042 6.224 -0.970 1.00 0.41 H new ATOM 0 HB3 ALA A 83 6.557 6.973 -1.529 1.00 0.41 H new ATOM 1229 N GLN A 84 4.499 9.597 -3.595 1.00 0.25 N ATOM 1230 CA GLN A 84 4.839 10.848 -4.248 1.00 0.26 C ATOM 1231 C GLN A 84 5.226 11.891 -3.206 1.00 0.25 C ATOM 1232 O GLN A 84 6.282 11.781 -2.601 1.00 0.28 O ATOM 1233 CB GLN A 84 3.704 11.337 -5.150 1.00 0.33 C ATOM 1234 CG GLN A 84 4.152 12.376 -6.167 1.00 0.77 C ATOM 1235 CD GLN A 84 5.307 11.897 -7.030 1.00 1.32 C ATOM 1236 OE1 GLN A 84 5.378 10.595 -7.273 1.00 2.05 O flip ATOM 1237 NE2 GLN A 84 6.130 12.692 -7.480 1.00 2.02 N flip ATOM 0 H GLN A 84 3.525 9.532 -3.298 1.00 0.25 H new ATOM 0 HA GLN A 84 5.699 10.679 -4.896 1.00 0.26 H new ATOM 0 HB2 GLN A 84 3.274 10.485 -5.676 1.00 0.33 H new ATOM 0 HB3 GLN A 84 2.914 11.761 -4.531 1.00 0.33 H new ATOM 0 HG2 GLN A 84 3.310 12.637 -6.808 1.00 0.77 H new ATOM 0 HG3 GLN A 84 4.448 13.285 -5.644 1.00 0.77 H new ATOM 0 HE21 GLN A 84 6.044 13.687 -7.273 1.00 2.02 H new ATOM 0 HE22 GLN A 84 6.898 12.356 -8.061 1.00 2.02 H new ATOM 1246 N ASP A 85 4.428 12.936 -3.044 1.00 0.24 N ATOM 1247 CA ASP A 85 4.689 13.894 -1.961 1.00 0.28 C ATOM 1248 C ASP A 85 3.394 14.461 -1.378 1.00 0.26 C ATOM 1249 O ASP A 85 2.751 15.299 -2.010 1.00 0.27 O ATOM 1250 CB ASP A 85 5.582 15.031 -2.464 1.00 0.34 C ATOM 1251 CG ASP A 85 5.933 16.024 -1.371 1.00 0.44 C ATOM 1252 OD1 ASP A 85 6.773 15.692 -0.507 1.00 0.53 O ATOM 1253 OD2 ASP A 85 5.383 17.143 -1.386 1.00 0.56 O ATOM 0 H ASP A 85 3.616 13.146 -3.625 1.00 0.24 H new ATOM 0 HA ASP A 85 5.203 13.357 -1.164 1.00 0.28 H new ATOM 0 HB2 ASP A 85 6.499 14.612 -2.877 1.00 0.34 H new ATOM 0 HB3 ASP A 85 5.076 15.554 -3.276 1.00 0.34 H new ATOM 1258 N GLU A 86 3.028 13.998 -0.169 1.00 0.27 N ATOM 1259 CA GLU A 86 1.864 14.521 0.565 1.00 0.29 C ATOM 1260 C GLU A 86 0.656 14.530 -0.367 1.00 0.22 C ATOM 1261 O GLU A 86 0.447 13.529 -1.024 1.00 0.19 O ATOM 1262 CB GLU A 86 2.231 15.866 1.220 1.00 0.40 C ATOM 1263 CG GLU A 86 1.096 16.732 1.775 1.00 0.51 C ATOM 1264 CD GLU A 86 0.473 16.195 3.048 1.00 0.78 C ATOM 1265 OE1 GLU A 86 1.093 15.323 3.686 1.00 1.04 O ATOM 1266 OE2 GLU A 86 -0.642 16.617 3.401 1.00 1.62 O ATOM 0 H GLU A 86 3.527 13.257 0.323 1.00 0.27 H new ATOM 0 HA GLU A 86 1.575 13.882 1.399 1.00 0.29 H new ATOM 0 HB2 GLU A 86 2.924 15.661 2.036 1.00 0.40 H new ATOM 0 HB3 GLU A 86 2.773 16.459 0.483 1.00 0.40 H new ATOM 0 HG2 GLU A 86 1.478 17.735 1.965 1.00 0.51 H new ATOM 0 HG3 GLU A 86 0.320 16.826 1.015 1.00 0.51 H new ATOM 1273 N ASP A 87 -0.108 15.614 -0.474 1.00 0.22 N ATOM 1274 CA ASP A 87 -1.292 15.612 -1.316 1.00 0.20 C ATOM 1275 C ASP A 87 -0.882 15.565 -2.785 1.00 0.23 C ATOM 1276 O ASP A 87 -0.892 16.563 -3.506 1.00 0.30 O ATOM 1277 CB ASP A 87 -2.177 16.837 -1.050 1.00 0.28 C ATOM 1278 CG ASP A 87 -3.558 16.697 -1.675 1.00 0.33 C ATOM 1279 OD1 ASP A 87 -3.722 17.023 -2.869 1.00 0.61 O ATOM 1280 OD2 ASP A 87 -4.494 16.250 -0.974 1.00 0.56 O ATOM 0 H ASP A 87 0.072 16.495 0.008 1.00 0.22 H new ATOM 0 HA ASP A 87 -1.877 14.725 -1.074 1.00 0.20 H new ATOM 0 HB2 ASP A 87 -2.280 16.982 0.025 1.00 0.28 H new ATOM 0 HB3 ASP A 87 -1.690 17.728 -1.446 1.00 0.28 H new ATOM 1285 N GLN A 88 -0.501 14.376 -3.181 1.00 0.19 N ATOM 1286 CA GLN A 88 -0.220 14.018 -4.549 1.00 0.24 C ATOM 1287 C GLN A 88 -0.473 12.533 -4.619 1.00 0.21 C ATOM 1288 O GLN A 88 0.185 11.772 -3.912 1.00 0.19 O ATOM 1289 CB GLN A 88 1.239 14.341 -4.906 1.00 0.32 C ATOM 1290 CG GLN A 88 1.409 15.300 -6.080 1.00 1.03 C ATOM 1291 CD GLN A 88 1.142 14.656 -7.429 1.00 1.28 C ATOM 1292 OE1 GLN A 88 2.184 14.114 -8.041 1.00 1.89 O flip ATOM 1293 NE2 GLN A 88 0.018 14.658 -7.926 1.00 1.93 N flip ATOM 0 H GLN A 88 -0.373 13.599 -2.532 1.00 0.19 H new ATOM 0 HA GLN A 88 -0.838 14.572 -5.255 1.00 0.24 H new ATOM 0 HB2 GLN A 88 1.727 14.769 -4.031 1.00 0.32 H new ATOM 0 HB3 GLN A 88 1.757 13.410 -5.136 1.00 0.32 H new ATOM 0 HG2 GLN A 88 0.734 16.146 -5.949 1.00 1.03 H new ATOM 0 HG3 GLN A 88 2.424 15.698 -6.070 1.00 1.03 H new ATOM 0 HE21 GLN A 88 -0.761 15.085 -7.424 1.00 1.93 H new ATOM 0 HE22 GLN A 88 -0.136 14.232 -8.840 1.00 1.93 H new ATOM 1302 N PRO A 89 -1.416 12.093 -5.451 1.00 0.24 N ATOM 1303 CA PRO A 89 -1.969 10.748 -5.336 1.00 0.24 C ATOM 1304 C PRO A 89 -0.911 9.679 -5.497 1.00 0.21 C ATOM 1305 O PRO A 89 0.089 9.877 -6.191 1.00 0.22 O ATOM 1306 CB PRO A 89 -2.981 10.676 -6.487 1.00 0.33 C ATOM 1307 CG PRO A 89 -3.275 12.093 -6.841 1.00 0.58 C ATOM 1308 CD PRO A 89 -2.017 12.856 -6.551 1.00 0.33 C ATOM 0 HA PRO A 89 -2.409 10.571 -4.354 1.00 0.24 H new ATOM 0 HB2 PRO A 89 -2.570 10.135 -7.339 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -3.886 10.151 -6.183 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -3.554 12.184 -7.891 1.00 0.58 H new ATOM 0 HG3 PRO A 89 -4.110 12.477 -6.255 1.00 0.58 H new ATOM 0 HD2 PRO A 89 -1.360 12.897 -7.420 1.00 0.33 H new ATOM 0 HD3 PRO A 89 -2.227 13.886 -6.261 1.00 0.33 H new ATOM 1316 N VAL A 90 -1.119 8.555 -4.829 1.00 0.23 N ATOM 1317 CA VAL A 90 -0.212 7.438 -4.973 1.00 0.24 C ATOM 1318 C VAL A 90 -0.271 6.961 -6.412 1.00 0.24 C ATOM 1319 O VAL A 90 -1.352 6.715 -6.952 1.00 0.28 O ATOM 1320 CB VAL A 90 -0.540 6.282 -3.994 1.00 0.36 C ATOM 1321 CG1 VAL A 90 -0.440 6.767 -2.558 1.00 1.31 C ATOM 1322 CG2 VAL A 90 -1.920 5.698 -4.256 1.00 1.10 C ATOM 0 H VAL A 90 -1.899 8.397 -4.191 1.00 0.23 H new ATOM 0 HA VAL A 90 0.796 7.769 -4.723 1.00 0.24 H new ATOM 0 HB VAL A 90 0.191 5.491 -4.158 1.00 0.36 H new ATOM 0 HG11 VAL A 90 -0.673 5.946 -1.880 1.00 1.31 H new ATOM 0 HG12 VAL A 90 0.572 7.123 -2.364 1.00 1.31 H new ATOM 0 HG13 VAL A 90 -1.147 7.581 -2.399 1.00 1.31 H new ATOM 0 HG21 VAL A 90 -2.113 4.890 -3.550 1.00 1.10 H new ATOM 0 HG22 VAL A 90 -2.674 6.476 -4.133 1.00 1.10 H new ATOM 0 HG23 VAL A 90 -1.963 5.309 -5.273 1.00 1.10 H new ATOM 1332 N LEU A 91 0.878 6.856 -7.050 1.00 0.22 N ATOM 1333 CA LEU A 91 0.901 6.631 -8.469 1.00 0.24 C ATOM 1334 C LEU A 91 1.120 5.160 -8.673 1.00 0.26 C ATOM 1335 O LEU A 91 1.831 4.537 -7.884 1.00 0.33 O ATOM 1336 CB LEU A 91 1.996 7.468 -9.138 1.00 0.30 C ATOM 1337 CG LEU A 91 1.987 8.966 -8.793 1.00 0.31 C ATOM 1338 CD1 LEU A 91 3.176 9.658 -9.436 1.00 0.42 C ATOM 1339 CD2 LEU A 91 0.691 9.610 -9.262 1.00 0.34 C ATOM 0 H LEU A 91 1.795 6.923 -6.608 1.00 0.22 H new ATOM 0 HA LEU A 91 -0.037 6.939 -8.930 1.00 0.24 H new ATOM 0 HB2 LEU A 91 2.966 7.055 -8.860 1.00 0.30 H new ATOM 0 HB3 LEU A 91 1.902 7.361 -10.219 1.00 0.30 H new ATOM 0 HG LEU A 91 2.058 9.074 -7.711 1.00 0.31 H new ATOM 0 HD11 LEU A 91 3.159 10.719 -9.185 1.00 0.42 H new ATOM 0 HD12 LEU A 91 4.100 9.212 -9.067 1.00 0.42 H new ATOM 0 HD13 LEU A 91 3.124 9.541 -10.518 1.00 0.42 H new ATOM 0 HD21 LEU A 91 0.700 10.671 -9.010 1.00 0.34 H new ATOM 0 HD22 LEU A 91 0.597 9.494 -10.342 1.00 0.34 H new ATOM 0 HD23 LEU A 91 -0.154 9.128 -8.770 1.00 0.34 H new ATOM 1351 N LEU A 92 0.525 4.568 -9.681 1.00 0.27 N ATOM 1352 CA LEU A 92 0.595 3.139 -9.764 1.00 0.28 C ATOM 1353 C LEU A 92 1.797 2.797 -10.599 1.00 0.29 C ATOM 1354 O LEU A 92 1.815 2.862 -11.827 1.00 0.31 O ATOM 1355 CB LEU A 92 -0.690 2.544 -10.343 1.00 0.32 C ATOM 1356 CG LEU A 92 -1.925 2.685 -9.443 1.00 0.76 C ATOM 1357 CD1 LEU A 92 -3.129 1.998 -10.068 1.00 1.15 C ATOM 1358 CD2 LEU A 92 -1.650 2.110 -8.060 1.00 1.30 C ATOM 0 H LEU A 92 0.008 5.035 -10.425 1.00 0.27 H new ATOM 0 HA LEU A 92 0.696 2.707 -8.769 1.00 0.28 H new ATOM 0 HB2 LEU A 92 -0.898 3.024 -11.299 1.00 0.32 H new ATOM 0 HB3 LEU A 92 -0.525 1.486 -10.547 1.00 0.32 H new ATOM 0 HG LEU A 92 -2.148 3.747 -9.340 1.00 0.76 H new ATOM 0 HD11 LEU A 92 -3.993 2.111 -9.413 1.00 1.15 H new ATOM 0 HD12 LEU A 92 -3.345 2.452 -11.035 1.00 1.15 H new ATOM 0 HD13 LEU A 92 -2.913 0.938 -10.205 1.00 1.15 H new ATOM 0 HD21 LEU A 92 -2.538 2.220 -7.437 1.00 1.30 H new ATOM 0 HD22 LEU A 92 -1.397 1.053 -8.149 1.00 1.30 H new ATOM 0 HD23 LEU A 92 -0.818 2.645 -7.603 1.00 1.30 H new ATOM 1370 N LYS A 93 2.814 2.465 -9.835 1.00 0.31 N ATOM 1371 CA LYS A 93 4.169 2.323 -10.280 1.00 0.37 C ATOM 1372 C LYS A 93 4.415 0.882 -10.647 1.00 0.38 C ATOM 1373 O LYS A 93 4.322 0.005 -9.803 1.00 0.39 O ATOM 1374 CB LYS A 93 5.127 2.743 -9.148 1.00 0.46 C ATOM 1375 CG LYS A 93 6.330 3.477 -9.641 1.00 1.29 C ATOM 1376 CD LYS A 93 7.118 2.659 -10.652 1.00 2.11 C ATOM 1377 CE LYS A 93 7.931 3.541 -11.582 1.00 2.85 C ATOM 1378 NZ LYS A 93 8.287 2.827 -12.836 1.00 3.26 N ATOM 0 H LYS A 93 2.705 2.279 -8.838 1.00 0.31 H new ATOM 0 HA LYS A 93 4.343 2.957 -11.149 1.00 0.37 H new ATOM 0 HB2 LYS A 93 4.589 3.373 -8.440 1.00 0.46 H new ATOM 0 HB3 LYS A 93 5.448 1.855 -8.604 1.00 0.46 H new ATOM 0 HG2 LYS A 93 6.020 4.417 -10.097 1.00 1.29 H new ATOM 0 HG3 LYS A 93 6.973 3.729 -8.797 1.00 1.29 H new ATOM 0 HD2 LYS A 93 7.784 1.975 -10.126 1.00 2.11 H new ATOM 0 HD3 LYS A 93 6.432 2.048 -11.239 1.00 2.11 H new ATOM 0 HE2 LYS A 93 7.363 4.440 -11.822 1.00 2.85 H new ATOM 0 HE3 LYS A 93 8.840 3.865 -11.076 1.00 2.85 H new ATOM 0 HZ1 LYS A 93 8.978 3.390 -13.372 1.00 3.26 H new ATOM 0 HZ2 LYS A 93 8.700 1.901 -12.603 1.00 3.26 H new ATOM 0 HZ3 LYS A 93 7.432 2.690 -13.412 1.00 3.26 H new ATOM 1392 N GLU A 94 4.770 0.622 -11.881 1.00 0.43 N ATOM 1393 CA GLU A 94 4.783 -0.732 -12.341 1.00 0.47 C ATOM 1394 C GLU A 94 6.174 -1.327 -12.159 1.00 0.52 C ATOM 1395 O GLU A 94 7.085 -1.189 -12.977 1.00 0.62 O ATOM 1396 CB GLU A 94 4.332 -0.766 -13.808 1.00 0.56 C ATOM 1397 CG GLU A 94 5.232 -0.006 -14.780 1.00 1.38 C ATOM 1398 CD GLU A 94 5.127 1.502 -14.641 1.00 1.76 C ATOM 1399 OE1 GLU A 94 4.274 2.106 -15.324 1.00 2.05 O ATOM 1400 OE2 GLU A 94 5.894 2.091 -13.846 1.00 2.33 O ATOM 0 H GLU A 94 5.048 1.321 -12.570 1.00 0.43 H new ATOM 0 HA GLU A 94 4.091 -1.338 -11.757 1.00 0.47 H new ATOM 0 HB2 GLU A 94 4.272 -1.806 -14.130 1.00 0.56 H new ATOM 0 HB3 GLU A 94 3.325 -0.354 -13.872 1.00 0.56 H new ATOM 0 HG2 GLU A 94 6.267 -0.308 -14.618 1.00 1.38 H new ATOM 0 HG3 GLU A 94 4.974 -0.289 -15.800 1.00 1.38 H new ATOM 1407 N MET A 95 6.307 -1.967 -11.015 1.00 0.50 N ATOM 1408 CA MET A 95 7.489 -2.734 -10.672 1.00 0.59 C ATOM 1409 C MET A 95 7.116 -4.211 -10.558 1.00 0.66 C ATOM 1410 O MET A 95 6.244 -4.577 -9.771 1.00 0.65 O ATOM 1411 CB MET A 95 8.102 -2.221 -9.366 1.00 0.60 C ATOM 1412 CG MET A 95 9.420 -2.896 -9.027 1.00 1.21 C ATOM 1413 SD MET A 95 10.661 -2.644 -10.315 1.00 1.67 S ATOM 1414 CE MET A 95 11.939 -3.771 -9.775 1.00 2.39 C ATOM 0 H MET A 95 5.590 -1.970 -10.289 1.00 0.50 H new ATOM 0 HA MET A 95 8.237 -2.617 -11.456 1.00 0.59 H new ATOM 0 HB2 MET A 95 8.260 -1.145 -9.442 1.00 0.60 H new ATOM 0 HB3 MET A 95 7.396 -2.383 -8.551 1.00 0.60 H new ATOM 0 HG2 MET A 95 9.795 -2.505 -8.081 1.00 1.21 H new ATOM 0 HG3 MET A 95 9.255 -3.964 -8.887 1.00 1.21 H new ATOM 0 HE1 MET A 95 12.911 -3.285 -9.857 1.00 2.39 H new ATOM 0 HE2 MET A 95 11.761 -4.053 -8.737 1.00 2.39 H new ATOM 0 HE3 MET A 95 11.926 -4.663 -10.401 1.00 2.39 H new ATOM 1424 N PRO A 96 7.739 -5.073 -11.367 1.00 0.82 N ATOM 1425 CA PRO A 96 7.375 -6.486 -11.434 1.00 0.95 C ATOM 1426 C PRO A 96 7.953 -7.345 -10.304 1.00 0.93 C ATOM 1427 O PRO A 96 9.164 -7.367 -10.075 1.00 0.98 O ATOM 1428 CB PRO A 96 7.955 -6.911 -12.779 1.00 1.19 C ATOM 1429 CG PRO A 96 9.151 -6.045 -12.969 1.00 1.26 C ATOM 1430 CD PRO A 96 8.831 -4.736 -12.299 1.00 0.99 C ATOM 0 HA PRO A 96 6.299 -6.623 -11.328 1.00 0.95 H new ATOM 0 HB2 PRO A 96 8.227 -7.966 -12.776 1.00 1.19 H new ATOM 0 HB3 PRO A 96 7.233 -6.770 -13.583 1.00 1.19 H new ATOM 0 HG2 PRO A 96 10.037 -6.502 -12.528 1.00 1.26 H new ATOM 0 HG3 PRO A 96 9.362 -5.899 -14.028 1.00 1.26 H new ATOM 0 HD2 PRO A 96 9.697 -4.335 -11.772 1.00 0.99 H new ATOM 0 HD3 PRO A 96 8.521 -3.982 -13.022 1.00 0.99 H new ATOM 1438 N GLU A 97 7.050 -8.051 -9.619 1.00 0.98 N ATOM 1439 CA GLU A 97 7.385 -9.118 -8.674 1.00 1.06 C ATOM 1440 C GLU A 97 8.078 -8.648 -7.391 1.00 0.90 C ATOM 1441 O GLU A 97 8.900 -7.735 -7.387 1.00 0.88 O ATOM 1442 CB GLU A 97 8.205 -10.191 -9.375 1.00 1.32 C ATOM 1443 CG GLU A 97 7.409 -10.941 -10.429 1.00 1.84 C ATOM 1444 CD GLU A 97 6.138 -11.549 -9.864 1.00 2.42 C ATOM 1445 OE1 GLU A 97 5.123 -10.828 -9.746 1.00 2.74 O ATOM 1446 OE2 GLU A 97 6.147 -12.747 -9.517 1.00 3.15 O ATOM 0 H GLU A 97 6.046 -7.894 -9.708 1.00 0.98 H new ATOM 0 HA GLU A 97 6.433 -9.530 -8.339 1.00 1.06 H new ATOM 0 HB2 GLU A 97 9.075 -9.730 -9.842 1.00 1.32 H new ATOM 0 HB3 GLU A 97 8.578 -10.899 -8.635 1.00 1.32 H new ATOM 0 HG2 GLU A 97 7.154 -10.261 -11.241 1.00 1.84 H new ATOM 0 HG3 GLU A 97 8.028 -11.730 -10.856 1.00 1.84 H new ATOM 1453 N ILE A 98 7.695 -9.300 -6.291 1.00 1.08 N ATOM 1454 CA ILE A 98 8.230 -9.016 -4.962 1.00 1.17 C ATOM 1455 C ILE A 98 9.685 -9.470 -4.852 1.00 1.10 C ATOM 1456 O ILE A 98 10.018 -10.615 -5.157 1.00 1.29 O ATOM 1457 CB ILE A 98 7.373 -9.702 -3.863 1.00 1.61 C ATOM 1458 CG1 ILE A 98 8.042 -9.586 -2.487 1.00 2.25 C ATOM 1459 CG2 ILE A 98 7.109 -11.164 -4.209 1.00 2.35 C ATOM 1460 CD1 ILE A 98 7.228 -10.189 -1.361 1.00 3.20 C ATOM 0 H ILE A 98 6.999 -10.046 -6.300 1.00 1.08 H new ATOM 0 HA ILE A 98 8.191 -7.937 -4.811 1.00 1.17 H new ATOM 0 HB ILE A 98 6.415 -9.183 -3.819 1.00 1.61 H new ATOM 0 HG12 ILE A 98 9.015 -10.077 -2.523 1.00 2.25 H new ATOM 0 HG13 ILE A 98 8.224 -8.534 -2.269 1.00 2.25 H new ATOM 0 HG21 ILE A 98 6.507 -11.621 -3.423 1.00 2.35 H new ATOM 0 HG22 ILE A 98 6.574 -11.223 -5.157 1.00 2.35 H new ATOM 0 HG23 ILE A 98 8.057 -11.695 -4.294 1.00 2.35 H new ATOM 0 HD11 ILE A 98 7.764 -10.069 -0.420 1.00 3.20 H new ATOM 0 HD12 ILE A 98 6.265 -9.683 -1.297 1.00 3.20 H new ATOM 0 HD13 ILE A 98 7.068 -11.250 -1.555 1.00 3.20 H new ATOM 1472 N PRO A 99 10.570 -8.557 -4.442 1.00 1.08 N ATOM 1473 CA PRO A 99 12.008 -8.802 -4.424 1.00 1.14 C ATOM 1474 C PRO A 99 12.531 -9.570 -3.203 1.00 1.08 C ATOM 1475 O PRO A 99 12.038 -9.442 -2.083 1.00 1.15 O ATOM 1476 CB PRO A 99 12.582 -7.388 -4.442 1.00 1.38 C ATOM 1477 CG PRO A 99 11.581 -6.568 -3.709 1.00 1.61 C ATOM 1478 CD PRO A 99 10.241 -7.191 -3.996 1.00 1.28 C ATOM 0 HA PRO A 99 12.298 -9.443 -5.257 1.00 1.14 H new ATOM 0 HB2 PRO A 99 13.557 -7.350 -3.957 1.00 1.38 H new ATOM 0 HB3 PRO A 99 12.719 -7.029 -5.462 1.00 1.38 H new ATOM 0 HG2 PRO A 99 11.788 -6.565 -2.639 1.00 1.61 H new ATOM 0 HG3 PRO A 99 11.608 -5.530 -4.042 1.00 1.61 H new ATOM 0 HD2 PRO A 99 9.608 -7.203 -3.109 1.00 1.28 H new ATOM 0 HD3 PRO A 99 9.701 -6.639 -4.765 1.00 1.28 H new ATOM 1486 N LYS A 100 13.535 -10.382 -3.488 1.00 1.10 N ATOM 1487 CA LYS A 100 14.437 -10.985 -2.505 1.00 1.07 C ATOM 1488 C LYS A 100 15.689 -10.126 -2.470 1.00 1.03 C ATOM 1489 O LYS A 100 16.625 -10.327 -1.701 1.00 0.99 O ATOM 1490 CB LYS A 100 14.785 -12.434 -2.874 1.00 1.15 C ATOM 1491 CG LYS A 100 15.454 -12.574 -4.233 1.00 1.99 C ATOM 1492 CD LYS A 100 15.818 -14.017 -4.536 1.00 2.34 C ATOM 1493 CE LYS A 100 16.428 -14.157 -5.922 1.00 3.09 C ATOM 1494 NZ LYS A 100 15.471 -13.773 -6.993 1.00 3.70 N ATOM 0 H LYS A 100 13.758 -10.653 -4.446 1.00 1.10 H new ATOM 0 HA LYS A 100 13.958 -11.022 -1.527 1.00 1.07 H new ATOM 0 HB2 LYS A 100 15.444 -12.846 -2.110 1.00 1.15 H new ATOM 0 HB3 LYS A 100 13.873 -13.031 -2.864 1.00 1.15 H new ATOM 0 HG2 LYS A 100 14.786 -12.197 -5.008 1.00 1.99 H new ATOM 0 HG3 LYS A 100 16.353 -11.959 -4.261 1.00 1.99 H new ATOM 0 HD2 LYS A 100 16.523 -14.381 -3.788 1.00 2.34 H new ATOM 0 HD3 LYS A 100 14.927 -14.641 -4.464 1.00 2.34 H new ATOM 0 HE2 LYS A 100 17.319 -13.533 -5.991 1.00 3.09 H new ATOM 0 HE3 LYS A 100 16.749 -15.188 -6.075 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 15.829 -14.101 -7.913 1.00 3.70 H new ATOM 0 HZ2 LYS A 100 14.546 -14.210 -6.806 1.00 3.70 H new ATOM 0 HZ3 LYS A 100 15.367 -12.738 -7.011 1.00 3.70 H new ATOM 1508 N THR A 101 15.696 -9.251 -3.433 1.00 1.10 N ATOM 1509 CA THR A 101 16.803 -8.439 -3.809 1.00 1.11 C ATOM 1510 C THR A 101 16.234 -7.050 -4.061 1.00 1.16 C ATOM 1511 O THR A 101 15.549 -6.849 -5.061 1.00 1.30 O ATOM 1512 CB THR A 101 17.413 -9.010 -5.114 1.00 1.30 C ATOM 1513 OG1 THR A 101 17.828 -10.363 -4.907 1.00 1.73 O ATOM 1514 CG2 THR A 101 18.587 -8.197 -5.627 1.00 1.92 C ATOM 0 H THR A 101 14.873 -9.079 -4.010 1.00 1.10 H new ATOM 0 HA THR A 101 17.581 -8.412 -3.046 1.00 1.11 H new ATOM 0 HB THR A 101 16.631 -8.961 -5.871 1.00 1.30 H new ATOM 0 HG1 THR A 101 18.211 -10.718 -5.736 1.00 1.73 H new ATOM 0 HG21 THR A 101 18.970 -8.648 -6.543 1.00 1.92 H new ATOM 0 HG22 THR A 101 18.261 -7.178 -5.833 1.00 1.92 H new ATOM 0 HG23 THR A 101 19.375 -8.181 -4.874 1.00 1.92 H new ATOM 1522 N ILE A 102 16.497 -6.102 -3.181 1.00 1.14 N ATOM 1523 CA ILE A 102 15.953 -4.760 -3.382 1.00 1.18 C ATOM 1524 C ILE A 102 17.014 -3.846 -3.976 1.00 1.22 C ATOM 1525 O ILE A 102 18.080 -3.609 -3.416 1.00 1.37 O ATOM 1526 CB ILE A 102 15.324 -4.126 -2.093 1.00 1.31 C ATOM 1527 CG1 ILE A 102 14.224 -3.130 -2.476 1.00 2.08 C ATOM 1528 CG2 ILE A 102 16.352 -3.427 -1.226 1.00 1.98 C ATOM 1529 CD1 ILE A 102 14.728 -1.799 -3.000 1.00 2.69 C ATOM 0 H ILE A 102 17.065 -6.223 -2.343 1.00 1.14 H new ATOM 0 HA ILE A 102 15.127 -4.868 -4.085 1.00 1.18 H new ATOM 0 HB ILE A 102 14.904 -4.947 -1.512 1.00 1.31 H new ATOM 0 HG12 ILE A 102 13.588 -3.586 -3.235 1.00 2.08 H new ATOM 0 HG13 ILE A 102 13.598 -2.948 -1.603 1.00 2.08 H new ATOM 0 HG21 ILE A 102 15.862 -3.007 -0.348 1.00 1.98 H new ATOM 0 HG22 ILE A 102 17.110 -4.144 -0.910 1.00 1.98 H new ATOM 0 HG23 ILE A 102 16.825 -2.627 -1.796 1.00 1.98 H new ATOM 0 HD11 ILE A 102 13.880 -1.160 -3.245 1.00 2.69 H new ATOM 0 HD12 ILE A 102 15.339 -1.315 -2.237 1.00 2.69 H new ATOM 0 HD13 ILE A 102 15.328 -1.964 -3.895 1.00 2.69 H new ATOM 1541 N THR A 103 16.712 -3.355 -5.139 1.00 1.15 N ATOM 1542 CA THR A 103 17.630 -2.534 -5.869 1.00 1.20 C ATOM 1543 C THR A 103 16.927 -1.281 -6.312 1.00 1.08 C ATOM 1544 O THR A 103 15.908 -1.372 -6.968 1.00 1.05 O ATOM 1545 CB THR A 103 18.213 -3.280 -7.094 1.00 1.39 C ATOM 1546 OG1 THR A 103 18.842 -2.355 -7.992 1.00 1.58 O ATOM 1547 CG2 THR A 103 17.136 -4.063 -7.834 1.00 1.57 C ATOM 0 H THR A 103 15.821 -3.512 -5.610 1.00 1.15 H new ATOM 0 HA THR A 103 18.463 -2.281 -5.213 1.00 1.20 H new ATOM 0 HB THR A 103 18.957 -3.986 -6.724 1.00 1.39 H new ATOM 0 HG1 THR A 103 19.207 -2.842 -8.760 1.00 1.58 H new ATOM 0 HG21 THR A 103 17.580 -4.574 -8.688 1.00 1.57 H new ATOM 0 HG22 THR A 103 16.693 -4.798 -7.161 1.00 1.57 H new ATOM 0 HG23 THR A 103 16.363 -3.378 -8.183 1.00 1.57 H new ATOM 1555 N GLY A 104 17.530 -0.136 -5.998 1.00 1.08 N ATOM 1556 CA GLY A 104 16.973 1.185 -6.319 1.00 1.03 C ATOM 1557 C GLY A 104 15.451 1.267 -6.459 1.00 0.92 C ATOM 1558 O GLY A 104 14.789 1.763 -5.559 1.00 0.84 O ATOM 0 H GLY A 104 18.425 -0.094 -5.510 1.00 1.08 H new ATOM 0 HA2 GLY A 104 17.283 1.884 -5.542 1.00 1.03 H new ATOM 0 HA3 GLY A 104 17.421 1.527 -7.252 1.00 1.03 H new ATOM 1562 N SER A 105 14.912 0.800 -7.573 1.00 0.96 N ATOM 1563 CA SER A 105 13.557 1.115 -8.015 1.00 0.92 C ATOM 1564 C SER A 105 12.417 0.636 -7.090 1.00 0.81 C ATOM 1565 O SER A 105 11.303 1.123 -7.250 1.00 0.77 O ATOM 1566 CB SER A 105 13.333 0.547 -9.414 1.00 1.05 C ATOM 1567 OG SER A 105 14.396 0.904 -10.284 1.00 1.47 O ATOM 0 H SER A 105 15.411 0.179 -8.210 1.00 0.96 H new ATOM 0 HA SER A 105 13.504 2.204 -7.997 1.00 0.92 H new ATOM 0 HB2 SER A 105 13.251 -0.539 -9.361 1.00 1.05 H new ATOM 0 HB3 SER A 105 12.390 0.919 -9.815 1.00 1.05 H new ATOM 0 HG SER A 105 14.231 0.527 -11.174 1.00 1.47 H new ATOM 1573 N GLU A 106 12.620 -0.306 -6.150 1.00 0.79 N ATOM 1574 CA GLU A 106 11.494 -0.743 -5.326 1.00 0.72 C ATOM 1575 C GLU A 106 11.206 0.275 -4.215 1.00 0.56 C ATOM 1576 O GLU A 106 10.343 0.062 -3.371 1.00 0.51 O ATOM 1577 CB GLU A 106 11.745 -2.127 -4.720 1.00 0.82 C ATOM 1578 CG GLU A 106 11.916 -3.243 -5.746 1.00 1.28 C ATOM 1579 CD GLU A 106 13.290 -3.256 -6.384 1.00 1.74 C ATOM 1580 OE1 GLU A 106 14.202 -3.908 -5.838 1.00 2.39 O ATOM 1581 OE2 GLU A 106 13.457 -2.616 -7.439 1.00 2.11 O ATOM 0 H GLU A 106 13.513 -0.758 -5.952 1.00 0.79 H new ATOM 0 HA GLU A 106 10.622 -0.812 -5.976 1.00 0.72 H new ATOM 0 HB2 GLU A 106 12.639 -2.081 -4.099 1.00 0.82 H new ATOM 0 HB3 GLU A 106 10.913 -2.379 -4.063 1.00 0.82 H new ATOM 0 HG2 GLU A 106 11.737 -4.204 -5.263 1.00 1.28 H new ATOM 0 HG3 GLU A 106 11.161 -3.132 -6.524 1.00 1.28 H new ATOM 1588 N THR A 107 11.939 1.383 -4.239 1.00 0.55 N ATOM 1589 CA THR A 107 11.828 2.432 -3.242 1.00 0.49 C ATOM 1590 C THR A 107 10.521 3.226 -3.399 1.00 0.37 C ATOM 1591 O THR A 107 10.130 3.968 -2.505 1.00 0.38 O ATOM 1592 CB THR A 107 13.047 3.385 -3.330 1.00 0.62 C ATOM 1593 OG1 THR A 107 14.259 2.632 -3.196 1.00 1.41 O ATOM 1594 CG2 THR A 107 13.011 4.463 -2.251 1.00 1.27 C ATOM 0 H THR A 107 12.633 1.576 -4.961 1.00 0.55 H new ATOM 0 HA THR A 107 11.813 1.958 -2.261 1.00 0.49 H new ATOM 0 HB THR A 107 13.007 3.877 -4.302 1.00 0.62 H new ATOM 0 HG1 THR A 107 14.703 2.568 -4.068 1.00 1.41 H new ATOM 0 HG21 THR A 107 13.884 5.107 -2.351 1.00 1.27 H new ATOM 0 HG22 THR A 107 12.105 5.059 -2.362 1.00 1.27 H new ATOM 0 HG23 THR A 107 13.018 3.994 -1.267 1.00 1.27 H new ATOM 1602 N ASN A 108 9.836 3.086 -4.534 1.00 0.34 N ATOM 1603 CA ASN A 108 8.561 3.722 -4.706 1.00 0.29 C ATOM 1604 C ASN A 108 7.559 3.036 -3.793 1.00 0.25 C ATOM 1605 O ASN A 108 6.682 3.662 -3.202 1.00 0.27 O ATOM 1606 CB ASN A 108 8.124 3.558 -6.165 1.00 0.40 C ATOM 1607 CG ASN A 108 9.174 3.996 -7.181 1.00 0.58 C ATOM 1608 OD1 ASN A 108 9.266 3.431 -8.268 1.00 1.39 O ATOM 1609 ND2 ASN A 108 9.964 5.006 -6.849 1.00 1.22 N ATOM 0 H ASN A 108 10.153 2.539 -5.334 1.00 0.34 H new ATOM 0 HA ASN A 108 8.621 4.782 -4.461 1.00 0.29 H new ATOM 0 HB2 ASN A 108 7.875 2.512 -6.343 1.00 0.40 H new ATOM 0 HB3 ASN A 108 7.213 4.135 -6.328 1.00 0.40 H new ATOM 0 HD21 ASN A 108 10.673 5.335 -7.504 1.00 1.22 H new ATOM 0 HD22 ASN A 108 9.863 5.455 -5.939 1.00 1.22 H new ATOM 1616 N LEU A 109 7.771 1.735 -3.667 1.00 0.25 N ATOM 1617 CA LEU A 109 6.883 0.827 -2.974 1.00 0.26 C ATOM 1618 C LEU A 109 7.230 0.639 -1.492 1.00 0.21 C ATOM 1619 O LEU A 109 7.085 -0.466 -0.962 1.00 0.23 O ATOM 1620 CB LEU A 109 6.968 -0.514 -3.703 1.00 0.41 C ATOM 1621 CG LEU A 109 6.077 -1.634 -3.184 1.00 0.54 C ATOM 1622 CD1 LEU A 109 4.629 -1.365 -3.526 1.00 0.83 C ATOM 1623 CD2 LEU A 109 6.541 -2.955 -3.756 1.00 0.95 C ATOM 0 H LEU A 109 8.592 1.272 -4.058 1.00 0.25 H new ATOM 0 HA LEU A 109 5.877 1.245 -2.986 1.00 0.26 H new ATOM 0 HB2 LEU A 109 6.726 -0.346 -4.753 1.00 0.41 H new ATOM 0 HB3 LEU A 109 8.002 -0.857 -3.665 1.00 0.41 H new ATOM 0 HG LEU A 109 6.152 -1.680 -2.098 1.00 0.54 H new ATOM 0 HD11 LEU A 109 4.009 -2.177 -3.146 1.00 0.83 H new ATOM 0 HD12 LEU A 109 4.316 -0.426 -3.070 1.00 0.83 H new ATOM 0 HD13 LEU A 109 4.517 -1.298 -4.608 1.00 0.83 H new ATOM 0 HD21 LEU A 109 5.903 -3.757 -3.384 1.00 0.95 H new ATOM 0 HD22 LEU A 109 6.484 -2.921 -4.844 1.00 0.95 H new ATOM 0 HD23 LEU A 109 7.571 -3.141 -3.453 1.00 0.95 H new ATOM 1635 N LEU A 110 7.649 1.677 -0.792 1.00 0.20 N ATOM 1636 CA LEU A 110 7.922 1.487 0.621 1.00 0.21 C ATOM 1637 C LEU A 110 6.776 1.974 1.487 1.00 0.23 C ATOM 1638 O LEU A 110 6.193 3.033 1.249 1.00 0.31 O ATOM 1639 CB LEU A 110 9.241 2.146 1.054 1.00 0.28 C ATOM 1640 CG LEU A 110 9.732 3.333 0.226 1.00 0.81 C ATOM 1641 CD1 LEU A 110 8.770 4.507 0.320 1.00 1.71 C ATOM 1642 CD2 LEU A 110 11.123 3.744 0.687 1.00 1.64 C ATOM 0 H LEU A 110 7.802 2.618 -1.155 1.00 0.20 H new ATOM 0 HA LEU A 110 8.026 0.412 0.768 1.00 0.21 H new ATOM 0 HB2 LEU A 110 9.131 2.477 2.087 1.00 0.28 H new ATOM 0 HB3 LEU A 110 10.019 1.383 1.045 1.00 0.28 H new ATOM 0 HG LEU A 110 9.778 3.027 -0.819 1.00 0.81 H new ATOM 0 HD11 LEU A 110 9.147 5.335 -0.280 1.00 1.71 H new ATOM 0 HD12 LEU A 110 7.791 4.206 -0.052 1.00 1.71 H new ATOM 0 HD13 LEU A 110 8.681 4.822 1.360 1.00 1.71 H new ATOM 0 HD21 LEU A 110 11.468 4.591 0.093 1.00 1.64 H new ATOM 0 HD22 LEU A 110 11.088 4.029 1.739 1.00 1.64 H new ATOM 0 HD23 LEU A 110 11.810 2.908 0.560 1.00 1.64 H new ATOM 1654 N PHE A 111 6.488 1.196 2.523 1.00 0.22 N ATOM 1655 CA PHE A 111 5.362 1.471 3.403 1.00 0.25 C ATOM 1656 C PHE A 111 5.694 1.159 4.850 1.00 0.23 C ATOM 1657 O PHE A 111 6.091 0.045 5.182 1.00 0.27 O ATOM 1658 CB PHE A 111 4.137 0.666 2.984 1.00 0.42 C ATOM 1659 CG PHE A 111 3.756 0.899 1.562 1.00 0.91 C ATOM 1660 CD1 PHE A 111 3.154 2.079 1.181 1.00 1.64 C ATOM 1661 CD2 PHE A 111 4.026 -0.053 0.601 1.00 1.18 C ATOM 1662 CE1 PHE A 111 2.830 2.306 -0.136 1.00 2.38 C ATOM 1663 CE2 PHE A 111 3.701 0.167 -0.714 1.00 1.90 C ATOM 1664 CZ PHE A 111 3.105 1.346 -1.081 1.00 2.46 C ATOM 0 H PHE A 111 7.023 0.365 2.774 1.00 0.22 H new ATOM 0 HA PHE A 111 5.144 2.536 3.317 1.00 0.25 H new ATOM 0 HB2 PHE A 111 4.336 -0.395 3.134 1.00 0.42 H new ATOM 0 HB3 PHE A 111 3.298 0.927 3.628 1.00 0.42 H new ATOM 0 HD1 PHE A 111 2.935 2.832 1.923 1.00 1.64 H new ATOM 0 HD2 PHE A 111 4.498 -0.981 0.887 1.00 1.18 H new ATOM 0 HE1 PHE A 111 2.361 3.235 -0.427 1.00 2.38 H new ATOM 0 HE2 PHE A 111 3.914 -0.586 -1.458 1.00 1.90 H new ATOM 0 HZ PHE A 111 2.851 1.521 -2.116 1.00 2.46 H new ATOM 1674 N PHE A 112 5.535 2.158 5.693 1.00 0.21 N ATOM 1675 CA PHE A 112 5.754 2.010 7.125 1.00 0.25 C ATOM 1676 C PHE A 112 4.500 1.463 7.756 1.00 0.25 C ATOM 1677 O PHE A 112 3.475 2.149 7.820 1.00 0.26 O ATOM 1678 CB PHE A 112 6.154 3.323 7.804 1.00 0.30 C ATOM 1679 CG PHE A 112 6.211 3.228 9.306 1.00 0.57 C ATOM 1680 CD1 PHE A 112 6.793 2.130 9.922 1.00 0.79 C ATOM 1681 CD2 PHE A 112 5.683 4.236 10.104 1.00 0.95 C ATOM 1682 CE1 PHE A 112 6.847 2.039 11.299 1.00 1.21 C ATOM 1683 CE2 PHE A 112 5.737 4.149 11.482 1.00 1.43 C ATOM 1684 CZ PHE A 112 6.311 3.053 12.081 1.00 1.50 C ATOM 0 H PHE A 112 5.251 3.096 5.410 1.00 0.21 H new ATOM 0 HA PHE A 112 6.587 1.322 7.265 1.00 0.25 H new ATOM 0 HB2 PHE A 112 7.129 3.634 7.430 1.00 0.30 H new ATOM 0 HB3 PHE A 112 5.443 4.100 7.523 1.00 0.30 H new ATOM 0 HD1 PHE A 112 7.209 1.337 9.318 1.00 0.79 H new ATOM 0 HD2 PHE A 112 5.225 5.098 9.641 1.00 0.95 H new ATOM 0 HE1 PHE A 112 7.306 1.180 11.767 1.00 1.21 H new ATOM 0 HE2 PHE A 112 5.328 4.943 12.089 1.00 1.43 H new ATOM 0 HZ PHE A 112 6.345 2.981 13.158 1.00 1.50 H new ATOM 1694 N TRP A 113 4.578 0.235 8.208 1.00 0.31 N ATOM 1695 CA TRP A 113 3.381 -0.489 8.606 1.00 0.35 C ATOM 1696 C TRP A 113 3.074 -0.249 10.081 1.00 0.33 C ATOM 1697 O TRP A 113 3.737 -0.766 10.983 1.00 0.37 O ATOM 1698 CB TRP A 113 3.603 -1.988 8.326 1.00 0.48 C ATOM 1699 CG TRP A 113 2.565 -2.923 8.891 1.00 1.08 C ATOM 1700 CD1 TRP A 113 2.496 -3.395 10.172 1.00 2.30 C ATOM 1701 CD2 TRP A 113 1.478 -3.537 8.184 1.00 1.17 C ATOM 1702 NE1 TRP A 113 1.425 -4.245 10.309 1.00 3.02 N ATOM 1703 CE2 TRP A 113 0.784 -4.349 9.103 1.00 2.29 C ATOM 1704 CE3 TRP A 113 1.015 -3.472 6.867 1.00 1.12 C ATOM 1705 CZ2 TRP A 113 -0.340 -5.090 8.745 1.00 2.67 C ATOM 1706 CZ3 TRP A 113 -0.099 -4.209 6.515 1.00 1.47 C ATOM 1707 CH2 TRP A 113 -0.767 -5.007 7.449 1.00 2.02 C ATOM 0 H TRP A 113 5.448 -0.287 8.311 1.00 0.31 H new ATOM 0 HA TRP A 113 2.524 -0.134 8.034 1.00 0.35 H new ATOM 0 HB2 TRP A 113 3.647 -2.134 7.247 1.00 0.48 H new ATOM 0 HB3 TRP A 113 4.576 -2.272 8.726 1.00 0.48 H new ATOM 0 HD1 TRP A 113 3.185 -3.137 10.963 1.00 2.30 H new ATOM 0 HE1 TRP A 113 1.152 -4.721 11.169 1.00 3.02 H new ATOM 0 HE3 TRP A 113 1.519 -2.856 6.137 1.00 1.12 H new ATOM 0 HZ2 TRP A 113 -0.856 -5.708 9.465 1.00 2.67 H new ATOM 0 HZ3 TRP A 113 -0.461 -4.168 5.498 1.00 1.47 H new ATOM 0 HH2 TRP A 113 -1.637 -5.568 7.141 1.00 2.02 H new ATOM 1718 N GLU A 114 2.060 0.585 10.290 1.00 0.32 N ATOM 1719 CA GLU A 114 1.492 0.849 11.603 1.00 0.37 C ATOM 1720 C GLU A 114 0.156 0.146 11.735 1.00 0.39 C ATOM 1721 O GLU A 114 -0.845 0.626 11.212 1.00 0.42 O ATOM 1722 CB GLU A 114 1.295 2.355 11.800 1.00 0.43 C ATOM 1723 CG GLU A 114 2.443 3.050 12.510 1.00 0.96 C ATOM 1724 CD GLU A 114 2.461 2.753 13.993 1.00 1.50 C ATOM 1725 OE1 GLU A 114 1.656 3.362 14.735 1.00 1.90 O ATOM 1726 OE2 GLU A 114 3.268 1.912 14.429 1.00 2.32 O ATOM 0 H GLU A 114 1.605 1.103 9.539 1.00 0.32 H new ATOM 0 HA GLU A 114 2.178 0.475 12.363 1.00 0.37 H new ATOM 0 HB2 GLU A 114 1.151 2.821 10.825 1.00 0.43 H new ATOM 0 HB3 GLU A 114 0.380 2.518 12.369 1.00 0.43 H new ATOM 0 HG2 GLU A 114 3.387 2.734 12.066 1.00 0.96 H new ATOM 0 HG3 GLU A 114 2.364 4.126 12.358 1.00 0.96 H new ATOM 1733 N THR A 115 0.115 -0.961 12.444 1.00 0.47 N ATOM 1734 CA THR A 115 -1.131 -1.689 12.596 1.00 0.49 C ATOM 1735 C THR A 115 -1.776 -1.376 13.946 1.00 0.52 C ATOM 1736 O THR A 115 -1.131 -1.454 14.991 1.00 0.64 O ATOM 1737 CB THR A 115 -0.933 -3.216 12.410 1.00 0.67 C ATOM 1738 OG1 THR A 115 -2.202 -3.882 12.386 1.00 1.38 O ATOM 1739 CG2 THR A 115 -0.063 -3.812 13.510 1.00 1.39 C ATOM 0 H THR A 115 0.917 -1.374 12.920 1.00 0.47 H new ATOM 0 HA THR A 115 -1.806 -1.356 11.808 1.00 0.49 H new ATOM 0 HB THR A 115 -0.423 -3.365 11.458 1.00 0.67 H new ATOM 0 HG1 THR A 115 -2.064 -4.845 12.266 1.00 1.38 H new ATOM 0 HG21 THR A 115 0.051 -4.883 13.343 1.00 1.39 H new ATOM 0 HG22 THR A 115 0.917 -3.336 13.497 1.00 1.39 H new ATOM 0 HG23 THR A 115 -0.535 -3.644 14.478 1.00 1.39 H new ATOM 1747 N HIS A 116 -3.036 -0.959 13.914 1.00 0.47 N ATOM 1748 CA HIS A 116 -3.762 -0.648 15.137 1.00 0.56 C ATOM 1749 C HIS A 116 -5.107 -1.357 15.142 1.00 0.56 C ATOM 1750 O HIS A 116 -6.074 -0.875 14.553 1.00 0.55 O ATOM 1751 CB HIS A 116 -3.977 0.868 15.278 1.00 0.66 C ATOM 1752 CG HIS A 116 -2.731 1.640 15.590 1.00 1.29 C ATOM 1753 ND1 HIS A 116 -2.459 2.153 16.839 1.00 1.88 N ATOM 1754 CD2 HIS A 116 -1.684 1.997 14.805 1.00 2.27 C ATOM 1755 CE1 HIS A 116 -1.304 2.791 16.809 1.00 2.63 C ATOM 1756 NE2 HIS A 116 -0.811 2.709 15.587 1.00 2.89 N ATOM 0 H HIS A 116 -3.574 -0.829 13.057 1.00 0.47 H new ATOM 0 HA HIS A 116 -3.166 -0.995 15.981 1.00 0.56 H new ATOM 0 HB2 HIS A 116 -4.405 1.250 14.351 1.00 0.66 H new ATOM 0 HB3 HIS A 116 -4.709 1.048 16.065 1.00 0.66 H new ATOM 0 HD2 HIS A 116 -1.561 1.764 13.758 1.00 2.27 H new ATOM 0 HE1 HIS A 116 -0.840 3.295 17.644 1.00 2.63 H new ATOM 0 HE2 HIS A 116 0.074 3.109 15.276 1.00 2.89 H new ATOM 1765 N GLY A 117 -5.162 -2.500 15.809 1.00 0.64 N ATOM 1766 CA GLY A 117 -6.396 -3.248 15.892 1.00 0.71 C ATOM 1767 C GLY A 117 -6.730 -3.930 14.583 1.00 0.69 C ATOM 1768 O GLY A 117 -6.128 -4.948 14.233 1.00 0.74 O ATOM 0 H GLY A 117 -4.371 -2.923 16.295 1.00 0.64 H new ATOM 0 HA2 GLY A 117 -6.315 -3.996 16.681 1.00 0.71 H new ATOM 0 HA3 GLY A 117 -7.209 -2.578 16.170 1.00 0.71 H new ATOM 1772 N THR A 118 -7.675 -3.356 13.854 1.00 0.66 N ATOM 1773 CA THR A 118 -8.064 -3.878 12.557 1.00 0.69 C ATOM 1774 C THR A 118 -7.456 -3.023 11.449 1.00 0.56 C ATOM 1775 O THR A 118 -6.823 -3.541 10.538 1.00 0.57 O ATOM 1776 CB THR A 118 -9.598 -3.917 12.404 1.00 0.81 C ATOM 1777 OG1 THR A 118 -10.180 -4.589 13.531 1.00 1.60 O ATOM 1778 CG2 THR A 118 -10.002 -4.633 11.121 1.00 1.39 C ATOM 0 H THR A 118 -8.188 -2.523 14.143 1.00 0.66 H new ATOM 0 HA THR A 118 -7.690 -4.899 12.479 1.00 0.69 H new ATOM 0 HB THR A 118 -9.962 -2.891 12.356 1.00 0.81 H new ATOM 0 HG1 THR A 118 -11.155 -4.610 13.431 1.00 1.60 H new ATOM 0 HG21 THR A 118 -11.089 -4.646 11.038 1.00 1.39 H new ATOM 0 HG22 THR A 118 -9.579 -4.109 10.264 1.00 1.39 H new ATOM 0 HG23 THR A 118 -9.627 -5.656 11.142 1.00 1.39 H new ATOM 1786 N LYS A 119 -7.594 -1.708 11.575 1.00 0.50 N ATOM 1787 CA LYS A 119 -7.063 -0.783 10.587 1.00 0.41 C ATOM 1788 C LYS A 119 -5.548 -0.660 10.767 1.00 0.35 C ATOM 1789 O LYS A 119 -4.978 -1.108 11.766 1.00 0.40 O ATOM 1790 CB LYS A 119 -7.673 0.602 10.785 1.00 0.46 C ATOM 1791 CG LYS A 119 -9.179 0.613 10.981 1.00 0.98 C ATOM 1792 CD LYS A 119 -9.672 2.024 11.236 1.00 1.36 C ATOM 1793 CE LYS A 119 -8.992 2.636 12.453 1.00 1.79 C ATOM 1794 NZ LYS A 119 -8.807 4.105 12.308 1.00 2.49 N ATOM 0 H LYS A 119 -8.072 -1.259 12.356 1.00 0.50 H new ATOM 0 HA LYS A 119 -7.304 -1.160 9.593 1.00 0.41 H new ATOM 0 HB2 LYS A 119 -7.205 1.069 11.651 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -7.429 1.218 9.920 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -9.669 0.204 10.097 1.00 0.98 H new ATOM 0 HG3 LYS A 119 -9.447 -0.029 11.820 1.00 0.98 H new ATOM 0 HD2 LYS A 119 -9.479 2.643 10.360 1.00 1.36 H new ATOM 0 HD3 LYS A 119 -10.751 2.013 11.387 1.00 1.36 H new ATOM 0 HE2 LYS A 119 -9.588 2.432 13.342 1.00 1.79 H new ATOM 0 HE3 LYS A 119 -8.022 2.162 12.603 1.00 1.79 H new ATOM 0 HZ1 LYS A 119 -8.582 4.520 13.235 1.00 2.49 H new ATOM 0 HZ2 LYS A 119 -8.027 4.293 11.646 1.00 2.49 H new ATOM 0 HZ3 LYS A 119 -9.682 4.531 11.942 1.00 2.49 H new ATOM 1808 N ASN A 120 -4.913 -0.048 9.798 1.00 0.30 N ATOM 1809 CA ASN A 120 -3.476 0.138 9.797 1.00 0.28 C ATOM 1810 C ASN A 120 -3.098 1.258 8.841 1.00 0.28 C ATOM 1811 O ASN A 120 -3.800 1.508 7.864 1.00 0.32 O ATOM 1812 CB ASN A 120 -2.733 -1.173 9.459 1.00 0.36 C ATOM 1813 CG ASN A 120 -3.200 -1.876 8.189 1.00 1.26 C ATOM 1814 OD1 ASN A 120 -3.523 -1.125 7.149 1.00 2.08 O flip ATOM 1815 ND2 ASN A 120 -3.240 -3.103 8.140 1.00 2.07 N flip ATOM 0 H ASN A 120 -5.380 0.340 8.978 1.00 0.30 H new ATOM 0 HA ASN A 120 -3.165 0.423 10.802 1.00 0.28 H new ATOM 0 HB2 ASN A 120 -1.669 -0.955 9.364 1.00 0.36 H new ATOM 0 HB3 ASN A 120 -2.844 -1.861 10.297 1.00 0.36 H new ATOM 0 HD21 ASN A 120 -2.985 -3.655 8.959 1.00 2.07 H new ATOM 0 HD22 ASN A 120 -3.528 -3.570 7.280 1.00 2.07 H new ATOM 1822 N TYR A 121 -1.999 1.925 9.125 1.00 0.31 N ATOM 1823 CA TYR A 121 -1.549 3.047 8.319 1.00 0.37 C ATOM 1824 C TYR A 121 -0.285 2.663 7.557 1.00 0.30 C ATOM 1825 O TYR A 121 0.416 1.731 7.958 1.00 0.34 O ATOM 1826 CB TYR A 121 -1.261 4.239 9.235 1.00 0.66 C ATOM 1827 CG TYR A 121 -2.485 4.777 9.950 1.00 1.06 C ATOM 1828 CD1 TYR A 121 -3.014 4.131 11.062 1.00 1.46 C ATOM 1829 CD2 TYR A 121 -3.118 5.928 9.501 1.00 1.41 C ATOM 1830 CE1 TYR A 121 -4.137 4.620 11.703 1.00 1.98 C ATOM 1831 CE2 TYR A 121 -4.240 6.421 10.134 1.00 2.01 C ATOM 1832 CZ TYR A 121 -4.746 5.764 11.233 1.00 2.23 C ATOM 1833 OH TYR A 121 -5.871 6.253 11.857 1.00 2.84 O ATOM 0 H TYR A 121 -1.393 1.708 9.916 1.00 0.31 H new ATOM 0 HA TYR A 121 -2.325 3.316 7.602 1.00 0.37 H new ATOM 0 HB2 TYR A 121 -0.520 3.943 9.978 1.00 0.66 H new ATOM 0 HB3 TYR A 121 -0.817 5.040 8.644 1.00 0.66 H new ATOM 0 HD1 TYR A 121 -2.540 3.233 11.431 1.00 1.46 H new ATOM 0 HD2 TYR A 121 -2.724 6.447 8.640 1.00 1.41 H new ATOM 0 HE1 TYR A 121 -4.535 4.109 12.567 1.00 1.98 H new ATOM 0 HE2 TYR A 121 -4.719 7.318 9.769 1.00 2.01 H new ATOM 0 HH TYR A 121 -6.618 6.265 11.223 1.00 2.84 H new ATOM 1843 N PHE A 122 0.022 3.371 6.468 1.00 0.30 N ATOM 1844 CA PHE A 122 1.269 3.157 5.767 1.00 0.29 C ATOM 1845 C PHE A 122 1.964 4.486 5.569 1.00 0.26 C ATOM 1846 O PHE A 122 1.628 5.240 4.668 1.00 0.32 O ATOM 1847 CB PHE A 122 1.055 2.490 4.406 1.00 0.34 C ATOM 1848 CG PHE A 122 0.373 1.154 4.464 1.00 1.05 C ATOM 1849 CD1 PHE A 122 -1.007 1.064 4.463 1.00 1.56 C ATOM 1850 CD2 PHE A 122 1.118 -0.011 4.502 1.00 1.45 C ATOM 1851 CE1 PHE A 122 -1.634 -0.166 4.501 1.00 2.27 C ATOM 1852 CE2 PHE A 122 0.497 -1.242 4.542 1.00 2.18 C ATOM 1853 CZ PHE A 122 -0.881 -1.320 4.541 1.00 2.54 C ATOM 0 H PHE A 122 -0.577 4.090 6.063 1.00 0.30 H new ATOM 0 HA PHE A 122 1.882 2.489 6.372 1.00 0.29 H new ATOM 0 HB2 PHE A 122 0.465 3.157 3.778 1.00 0.34 H new ATOM 0 HB3 PHE A 122 2.023 2.368 3.920 1.00 0.34 H new ATOM 0 HD1 PHE A 122 -1.601 1.965 4.432 1.00 1.56 H new ATOM 0 HD2 PHE A 122 2.197 0.044 4.500 1.00 1.45 H new ATOM 0 HE1 PHE A 122 -2.712 -0.224 4.499 1.00 2.27 H new ATOM 0 HE2 PHE A 122 1.089 -2.145 4.574 1.00 2.18 H new ATOM 0 HZ PHE A 122 -1.368 -2.283 4.571 1.00 2.54 H new ATOM 1863 N THR A 123 2.935 4.770 6.401 1.00 0.22 N ATOM 1864 CA THR A 123 3.677 6.001 6.283 1.00 0.22 C ATOM 1865 C THR A 123 4.836 5.742 5.345 1.00 0.20 C ATOM 1866 O THR A 123 5.432 4.683 5.399 1.00 0.19 O ATOM 1867 CB THR A 123 4.215 6.431 7.660 1.00 0.24 C ATOM 1868 OG1 THR A 123 3.190 6.278 8.649 1.00 0.32 O ATOM 1869 CG2 THR A 123 4.689 7.873 7.639 1.00 0.33 C ATOM 0 H THR A 123 3.230 4.165 7.168 1.00 0.22 H new ATOM 0 HA THR A 123 3.036 6.796 5.903 1.00 0.22 H new ATOM 0 HB THR A 123 5.065 5.794 7.906 1.00 0.24 H new ATOM 0 HG1 THR A 123 2.431 6.856 8.425 1.00 0.32 H new ATOM 0 HG21 THR A 123 5.063 8.147 8.625 1.00 0.33 H new ATOM 0 HG22 THR A 123 5.487 7.983 6.905 1.00 0.33 H new ATOM 0 HG23 THR A 123 3.858 8.525 7.372 1.00 0.33 H new ATOM 1877 N SER A 124 5.145 6.653 4.453 1.00 0.21 N ATOM 1878 CA SER A 124 6.177 6.354 3.492 1.00 0.23 C ATOM 1879 C SER A 124 7.508 6.327 4.213 1.00 0.29 C ATOM 1880 O SER A 124 7.864 7.253 4.942 1.00 0.34 O ATOM 1881 CB SER A 124 6.191 7.373 2.356 1.00 0.26 C ATOM 1882 OG SER A 124 7.223 7.092 1.424 1.00 1.17 O ATOM 0 H SER A 124 4.715 7.574 4.373 1.00 0.21 H new ATOM 0 HA SER A 124 5.981 5.382 3.040 1.00 0.23 H new ATOM 0 HB2 SER A 124 5.227 7.367 1.847 1.00 0.26 H new ATOM 0 HB3 SER A 124 6.330 8.374 2.764 1.00 0.26 H new ATOM 0 HG SER A 124 7.207 7.760 0.707 1.00 1.17 H new ATOM 1888 N VAL A 125 8.216 5.228 4.039 1.00 0.33 N ATOM 1889 CA VAL A 125 9.448 5.001 4.756 1.00 0.43 C ATOM 1890 C VAL A 125 10.551 5.881 4.182 1.00 0.53 C ATOM 1891 O VAL A 125 11.513 6.223 4.874 1.00 0.65 O ATOM 1892 CB VAL A 125 9.820 3.491 4.728 1.00 0.48 C ATOM 1893 CG1 VAL A 125 11.319 3.259 4.851 1.00 0.81 C ATOM 1894 CG2 VAL A 125 9.090 2.771 5.845 1.00 0.47 C ATOM 0 H VAL A 125 7.954 4.476 3.402 1.00 0.33 H new ATOM 0 HA VAL A 125 9.319 5.278 5.802 1.00 0.43 H new ATOM 0 HB VAL A 125 9.514 3.093 3.760 1.00 0.48 H new ATOM 0 HG11 VAL A 125 11.525 2.189 4.826 1.00 0.81 H new ATOM 0 HG12 VAL A 125 11.832 3.747 4.022 1.00 0.81 H new ATOM 0 HG13 VAL A 125 11.675 3.675 5.793 1.00 0.81 H new ATOM 0 HG21 VAL A 125 9.350 1.713 5.826 1.00 0.47 H new ATOM 0 HG22 VAL A 125 9.380 3.199 6.804 1.00 0.47 H new ATOM 0 HG23 VAL A 125 8.014 2.883 5.708 1.00 0.47 H new ATOM 1904 N ALA A 126 10.378 6.292 2.931 1.00 0.53 N ATOM 1905 CA ALA A 126 11.271 7.274 2.335 1.00 0.63 C ATOM 1906 C ALA A 126 10.997 8.662 2.911 1.00 0.63 C ATOM 1907 O ALA A 126 11.919 9.380 3.290 1.00 0.72 O ATOM 1908 CB ALA A 126 11.115 7.295 0.822 1.00 0.68 C ATOM 0 H ALA A 126 9.634 5.963 2.316 1.00 0.53 H new ATOM 0 HA ALA A 126 12.296 6.991 2.573 1.00 0.63 H new ATOM 0 HB1 ALA A 126 11.792 8.036 0.397 1.00 0.68 H new ATOM 0 HB2 ALA A 126 11.354 6.311 0.418 1.00 0.68 H new ATOM 0 HB3 ALA A 126 10.087 7.553 0.566 1.00 0.68 H new ATOM 1914 N HIS A 127 9.718 9.021 2.986 1.00 0.56 N ATOM 1915 CA HIS A 127 9.292 10.313 3.515 1.00 0.58 C ATOM 1916 C HIS A 127 7.969 10.163 4.252 1.00 0.47 C ATOM 1917 O HIS A 127 6.953 9.870 3.638 1.00 0.44 O ATOM 1918 CB HIS A 127 9.112 11.337 2.391 1.00 0.72 C ATOM 1919 CG HIS A 127 10.375 11.976 1.912 1.00 1.15 C ATOM 1920 ND1 HIS A 127 10.598 12.289 0.591 1.00 1.70 N ATOM 1921 CD2 HIS A 127 11.467 12.400 2.588 1.00 1.99 C ATOM 1922 CE1 HIS A 127 11.772 12.876 0.473 1.00 2.29 C ATOM 1923 NE2 HIS A 127 12.319 12.957 1.669 1.00 2.47 N ATOM 0 H HIS A 127 8.948 8.425 2.682 1.00 0.56 H new ATOM 0 HA HIS A 127 10.066 10.664 4.197 1.00 0.58 H new ATOM 0 HB2 HIS A 127 8.628 10.846 1.547 1.00 0.72 H new ATOM 0 HB3 HIS A 127 8.435 12.118 2.737 1.00 0.72 H new ATOM 0 HD2 HIS A 127 11.636 12.316 3.651 1.00 1.99 H new ATOM 0 HE1 HIS A 127 12.211 13.231 -0.448 1.00 2.29 H new ATOM 0 HE2 HIS A 127 13.229 13.368 1.878 1.00 2.47 H new ATOM 1932 N PRO A 128 7.955 10.392 5.568 1.00 0.47 N ATOM 1933 CA PRO A 128 6.745 10.281 6.396 1.00 0.43 C ATOM 1934 C PRO A 128 5.618 11.195 5.932 1.00 0.40 C ATOM 1935 O PRO A 128 4.444 10.863 6.077 1.00 0.39 O ATOM 1936 CB PRO A 128 7.202 10.668 7.790 1.00 0.53 C ATOM 1937 CG PRO A 128 8.469 11.427 7.583 1.00 0.79 C ATOM 1938 CD PRO A 128 9.114 10.812 6.372 1.00 0.60 C ATOM 0 HA PRO A 128 6.329 9.275 6.341 1.00 0.43 H new ATOM 0 HB2 PRO A 128 6.454 11.279 8.295 1.00 0.53 H new ATOM 0 HB3 PRO A 128 7.366 9.787 8.410 1.00 0.53 H new ATOM 0 HG2 PRO A 128 8.270 12.487 7.426 1.00 0.79 H new ATOM 0 HG3 PRO A 128 9.119 11.351 8.455 1.00 0.79 H new ATOM 0 HD2 PRO A 128 9.739 11.528 5.838 1.00 0.60 H new ATOM 0 HD3 PRO A 128 9.751 9.968 6.637 1.00 0.60 H new ATOM 1946 N ASN A 129 5.981 12.386 5.459 1.00 0.44 N ATOM 1947 CA ASN A 129 5.010 13.385 5.043 1.00 0.47 C ATOM 1948 C ASN A 129 4.276 12.893 3.794 1.00 0.39 C ATOM 1949 O ASN A 129 3.293 13.472 3.344 1.00 0.44 O ATOM 1950 CB ASN A 129 5.766 14.685 4.787 1.00 0.57 C ATOM 1951 CG ASN A 129 4.907 15.945 4.781 1.00 1.07 C ATOM 1952 OD1 ASN A 129 5.352 16.999 5.236 1.00 1.84 O ATOM 1953 ND2 ASN A 129 3.696 15.868 4.269 1.00 1.44 N ATOM 0 H ASN A 129 6.952 12.680 5.355 1.00 0.44 H new ATOM 0 HA ASN A 129 4.257 13.557 5.812 1.00 0.47 H new ATOM 0 HB2 ASN A 129 6.538 14.794 5.549 1.00 0.57 H new ATOM 0 HB3 ASN A 129 6.276 14.607 3.827 1.00 0.57 H new ATOM 0 HD21 ASN A 129 3.100 16.695 4.242 1.00 1.44 H new ATOM 0 HD22 ASN A 129 3.354 14.981 3.899 1.00 1.44 H new ATOM 1960 N LEU A 130 4.759 11.795 3.262 1.00 0.32 N ATOM 1961 CA LEU A 130 4.016 11.016 2.315 1.00 0.26 C ATOM 1962 C LEU A 130 3.324 9.963 3.138 1.00 0.24 C ATOM 1963 O LEU A 130 3.972 9.274 3.930 1.00 0.26 O ATOM 1964 CB LEU A 130 4.954 10.296 1.336 1.00 0.30 C ATOM 1965 CG LEU A 130 5.725 11.130 0.305 1.00 0.58 C ATOM 1966 CD1 LEU A 130 6.267 12.430 0.883 1.00 1.38 C ATOM 1967 CD2 LEU A 130 6.871 10.289 -0.235 1.00 1.28 C ATOM 0 H LEU A 130 5.683 11.420 3.478 1.00 0.32 H new ATOM 0 HA LEU A 130 3.340 11.648 1.739 1.00 0.26 H new ATOM 0 HB2 LEU A 130 5.684 9.742 1.925 1.00 0.30 H new ATOM 0 HB3 LEU A 130 4.361 9.562 0.790 1.00 0.30 H new ATOM 0 HG LEU A 130 5.032 11.407 -0.490 1.00 0.58 H new ATOM 0 HD11 LEU A 130 6.803 12.977 0.108 1.00 1.38 H new ATOM 0 HD12 LEU A 130 5.440 13.038 1.250 1.00 1.38 H new ATOM 0 HD13 LEU A 130 6.947 12.207 1.705 1.00 1.38 H new ATOM 0 HD21 LEU A 130 7.431 10.867 -0.970 1.00 1.28 H new ATOM 0 HD22 LEU A 130 7.532 10.006 0.584 1.00 1.28 H new ATOM 0 HD23 LEU A 130 6.472 9.391 -0.706 1.00 1.28 H new ATOM 1979 N PHE A 131 2.058 9.776 2.939 1.00 0.23 N ATOM 1980 CA PHE A 131 1.354 8.817 3.751 1.00 0.27 C ATOM 1981 C PHE A 131 0.198 8.275 2.932 1.00 0.26 C ATOM 1982 O PHE A 131 -0.495 9.031 2.250 1.00 0.26 O ATOM 1983 CB PHE A 131 0.935 9.513 5.054 1.00 0.42 C ATOM 1984 CG PHE A 131 0.664 8.633 6.237 1.00 0.36 C ATOM 1985 CD1 PHE A 131 0.048 7.406 6.104 1.00 0.63 C ATOM 1986 CD2 PHE A 131 1.017 9.070 7.502 1.00 0.65 C ATOM 1987 CE1 PHE A 131 -0.210 6.628 7.212 1.00 0.97 C ATOM 1988 CE2 PHE A 131 0.763 8.298 8.612 1.00 0.96 C ATOM 1989 CZ PHE A 131 0.149 7.075 8.467 1.00 1.05 C ATOM 0 H PHE A 131 1.495 10.259 2.239 1.00 0.23 H new ATOM 0 HA PHE A 131 1.967 7.962 4.037 1.00 0.27 H new ATOM 0 HB2 PHE A 131 1.719 10.219 5.329 1.00 0.42 H new ATOM 0 HB3 PHE A 131 0.037 10.097 4.853 1.00 0.42 H new ATOM 0 HD1 PHE A 131 -0.234 7.052 5.124 1.00 0.63 H new ATOM 0 HD2 PHE A 131 1.498 10.030 7.619 1.00 0.65 H new ATOM 0 HE1 PHE A 131 -0.693 5.669 7.098 1.00 0.97 H new ATOM 0 HE2 PHE A 131 1.044 8.650 9.593 1.00 0.96 H new ATOM 0 HZ PHE A 131 -0.052 6.465 9.335 1.00 1.05 H new ATOM 1999 N ILE A 132 -0.033 6.986 3.033 1.00 0.28 N ATOM 2000 CA ILE A 132 -0.773 6.269 2.025 1.00 0.27 C ATOM 2001 C ILE A 132 -2.252 6.353 2.322 1.00 0.25 C ATOM 2002 O ILE A 132 -2.787 5.664 3.188 1.00 0.32 O ATOM 2003 CB ILE A 132 -0.280 4.804 1.962 1.00 0.34 C ATOM 2004 CG1 ILE A 132 1.172 4.775 1.480 1.00 0.87 C ATOM 2005 CG2 ILE A 132 -1.162 3.954 1.055 1.00 0.80 C ATOM 2006 CD1 ILE A 132 1.379 5.387 0.110 1.00 1.39 C ATOM 0 H ILE A 132 0.285 6.410 3.812 1.00 0.28 H new ATOM 0 HA ILE A 132 -0.605 6.720 1.047 1.00 0.27 H new ATOM 0 HB ILE A 132 -0.339 4.377 2.963 1.00 0.34 H new ATOM 0 HG12 ILE A 132 1.794 5.305 2.201 1.00 0.87 H new ATOM 0 HG13 ILE A 132 1.517 3.741 1.461 1.00 0.87 H new ATOM 0 HG21 ILE A 132 -0.785 2.931 1.035 1.00 0.80 H new ATOM 0 HG22 ILE A 132 -2.184 3.957 1.434 1.00 0.80 H new ATOM 0 HG23 ILE A 132 -1.149 4.365 0.046 1.00 0.80 H new ATOM 0 HD11 ILE A 132 2.434 5.328 -0.159 1.00 1.39 H new ATOM 0 HD12 ILE A 132 0.786 4.843 -0.625 1.00 1.39 H new ATOM 0 HD13 ILE A 132 1.067 6.431 0.127 1.00 1.39 H new ATOM 2018 N ALA A 133 -2.878 7.249 1.589 1.00 0.22 N ATOM 2019 CA ALA A 133 -4.240 7.662 1.848 1.00 0.23 C ATOM 2020 C ALA A 133 -5.268 6.901 1.041 1.00 0.23 C ATOM 2021 O ALA A 133 -4.998 6.392 -0.045 1.00 0.26 O ATOM 2022 CB ALA A 133 -4.375 9.146 1.578 1.00 0.25 C ATOM 0 H ALA A 133 -2.451 7.716 0.789 1.00 0.22 H new ATOM 0 HA ALA A 133 -4.443 7.437 2.895 1.00 0.23 H new ATOM 0 HB1 ALA A 133 -5.401 9.459 1.773 1.00 0.25 H new ATOM 0 HB2 ALA A 133 -3.697 9.698 2.230 1.00 0.25 H new ATOM 0 HB3 ALA A 133 -4.124 9.351 0.537 1.00 0.25 H new ATOM 2028 N THR A 134 -6.458 6.862 1.598 1.00 0.23 N ATOM 2029 CA THR A 134 -7.628 6.375 0.921 1.00 0.25 C ATOM 2030 C THR A 134 -8.688 7.459 0.905 1.00 0.26 C ATOM 2031 O THR A 134 -8.929 8.126 1.916 1.00 0.31 O ATOM 2032 CB THR A 134 -8.174 5.132 1.600 1.00 0.31 C ATOM 2033 OG1 THR A 134 -7.072 4.328 2.006 1.00 0.96 O ATOM 2034 CG2 THR A 134 -9.048 4.357 0.639 1.00 1.01 C ATOM 0 H THR A 134 -6.638 7.175 2.552 1.00 0.23 H new ATOM 0 HA THR A 134 -7.353 6.111 -0.100 1.00 0.25 H new ATOM 0 HB THR A 134 -8.777 5.412 2.464 1.00 0.31 H new ATOM 0 HG1 THR A 134 -6.874 3.668 1.309 1.00 0.96 H new ATOM 0 HG21 THR A 134 -9.435 3.467 1.136 1.00 1.01 H new ATOM 0 HG22 THR A 134 -9.880 4.984 0.318 1.00 1.01 H new ATOM 0 HG23 THR A 134 -8.460 4.061 -0.230 1.00 1.01 H new ATOM 2042 N LYS A 135 -9.251 7.691 -0.259 1.00 0.28 N ATOM 2043 CA LYS A 135 -10.304 8.680 -0.403 1.00 0.31 C ATOM 2044 C LYS A 135 -11.631 7.952 -0.554 1.00 0.40 C ATOM 2045 O LYS A 135 -11.692 6.876 -1.148 1.00 0.47 O ATOM 2046 CB LYS A 135 -10.054 9.572 -1.626 1.00 0.35 C ATOM 2047 CG LYS A 135 -8.650 10.163 -1.719 1.00 0.69 C ATOM 2048 CD LYS A 135 -8.432 11.379 -0.825 1.00 0.76 C ATOM 2049 CE LYS A 135 -7.640 12.452 -1.575 1.00 0.89 C ATOM 2050 NZ LYS A 135 -6.864 13.360 -0.677 1.00 0.63 N ATOM 0 H LYS A 135 -9.000 7.210 -1.123 1.00 0.28 H new ATOM 0 HA LYS A 135 -10.322 9.320 0.479 1.00 0.31 H new ATOM 0 HB2 LYS A 135 -10.247 8.989 -2.527 1.00 0.35 H new ATOM 0 HB3 LYS A 135 -10.775 10.389 -1.614 1.00 0.35 H new ATOM 0 HG2 LYS A 135 -7.924 9.394 -1.454 1.00 0.69 H new ATOM 0 HG3 LYS A 135 -8.452 10.444 -2.753 1.00 0.69 H new ATOM 0 HD2 LYS A 135 -9.393 11.782 -0.507 1.00 0.76 H new ATOM 0 HD3 LYS A 135 -7.895 11.085 0.077 1.00 0.76 H new ATOM 0 HE2 LYS A 135 -6.953 11.967 -2.268 1.00 0.89 H new ATOM 0 HE3 LYS A 135 -8.329 13.048 -2.174 1.00 0.89 H new ATOM 0 HZ1 LYS A 135 -6.049 13.746 -1.194 1.00 0.63 H new ATOM 0 HZ2 LYS A 135 -7.474 14.140 -0.361 1.00 0.63 H new ATOM 0 HZ3 LYS A 135 -6.528 12.826 0.150 1.00 0.63 H new ATOM 2064 N GLN A 136 -12.686 8.564 -0.043 1.00 0.49 N ATOM 2065 CA GLN A 136 -14.000 7.933 0.007 1.00 0.63 C ATOM 2066 C GLN A 136 -14.674 7.870 -1.357 1.00 0.58 C ATOM 2067 O GLN A 136 -15.443 6.959 -1.636 1.00 0.69 O ATOM 2068 CB GLN A 136 -14.895 8.707 0.979 1.00 0.82 C ATOM 2069 CG GLN A 136 -16.081 7.914 1.498 1.00 1.05 C ATOM 2070 CD GLN A 136 -15.646 6.646 2.200 1.00 1.14 C ATOM 2071 OE1 GLN A 136 -14.651 6.036 1.842 1.00 1.75 O ATOM 2072 NE2 GLN A 136 -16.375 6.236 3.213 1.00 1.20 N ATOM 0 H GLN A 136 -12.660 9.506 0.347 1.00 0.49 H new ATOM 0 HA GLN A 136 -13.856 6.907 0.345 1.00 0.63 H new ATOM 0 HB2 GLN A 136 -14.293 9.036 1.826 1.00 0.82 H new ATOM 0 HB3 GLN A 136 -15.262 9.605 0.481 1.00 0.82 H new ATOM 0 HG2 GLN A 136 -16.657 8.531 2.187 1.00 1.05 H new ATOM 0 HG3 GLN A 136 -16.741 7.662 0.668 1.00 1.05 H new ATOM 0 HE21 GLN A 136 -17.202 6.763 3.493 1.00 1.20 H new ATOM 0 HE22 GLN A 136 -16.114 5.390 3.720 1.00 1.20 H new ATOM 2081 N ASP A 137 -14.404 8.845 -2.198 1.00 0.48 N ATOM 2082 CA ASP A 137 -15.065 8.919 -3.503 1.00 0.52 C ATOM 2083 C ASP A 137 -14.061 9.101 -4.625 1.00 0.47 C ATOM 2084 O ASP A 137 -14.298 8.701 -5.765 1.00 0.56 O ATOM 2085 CB ASP A 137 -16.074 10.071 -3.541 1.00 0.63 C ATOM 2086 CG ASP A 137 -17.183 9.915 -2.524 1.00 1.34 C ATOM 2087 OD1 ASP A 137 -18.020 9.002 -2.690 1.00 1.43 O ATOM 2088 OD2 ASP A 137 -17.220 10.698 -1.549 1.00 2.21 O ATOM 0 H ASP A 137 -13.739 9.596 -2.013 1.00 0.48 H new ATOM 0 HA ASP A 137 -15.588 7.974 -3.648 1.00 0.52 H new ATOM 0 HB2 ASP A 137 -15.552 11.011 -3.361 1.00 0.63 H new ATOM 0 HB3 ASP A 137 -16.509 10.134 -4.539 1.00 0.63 H new ATOM 2093 N TYR A 138 -12.953 9.731 -4.296 1.00 0.39 N ATOM 2094 CA TYR A 138 -11.965 10.120 -5.289 1.00 0.38 C ATOM 2095 C TYR A 138 -10.866 9.075 -5.408 1.00 0.32 C ATOM 2096 O TYR A 138 -10.909 8.038 -4.745 1.00 0.31 O ATOM 2097 CB TYR A 138 -11.375 11.482 -4.916 1.00 0.44 C ATOM 2098 CG TYR A 138 -12.428 12.508 -4.574 1.00 0.82 C ATOM 2099 CD1 TYR A 138 -13.219 13.078 -5.563 1.00 0.99 C ATOM 2100 CD2 TYR A 138 -12.642 12.896 -3.256 1.00 1.41 C ATOM 2101 CE1 TYR A 138 -14.192 14.005 -5.250 1.00 1.45 C ATOM 2102 CE2 TYR A 138 -13.613 13.825 -2.936 1.00 1.98 C ATOM 2103 CZ TYR A 138 -14.385 14.374 -3.936 1.00 1.94 C ATOM 2104 OH TYR A 138 -15.356 15.298 -3.622 1.00 2.50 O ATOM 0 H TYR A 138 -12.709 9.988 -3.339 1.00 0.39 H new ATOM 0 HA TYR A 138 -12.455 10.194 -6.260 1.00 0.38 H new ATOM 0 HB2 TYR A 138 -10.704 11.360 -4.065 1.00 0.44 H new ATOM 0 HB3 TYR A 138 -10.773 11.851 -5.746 1.00 0.44 H new ATOM 0 HD1 TYR A 138 -13.070 12.791 -6.594 1.00 0.99 H new ATOM 0 HD2 TYR A 138 -12.040 12.464 -2.470 1.00 1.41 H new ATOM 0 HE1 TYR A 138 -14.799 14.439 -6.031 1.00 1.45 H new ATOM 0 HE2 TYR A 138 -13.766 14.119 -1.908 1.00 1.98 H new ATOM 0 HH TYR A 138 -15.364 15.447 -2.654 1.00 2.50 H new ATOM 2114 N TRP A 139 -9.880 9.352 -6.247 1.00 0.34 N ATOM 2115 CA TRP A 139 -8.746 8.461 -6.406 1.00 0.33 C ATOM 2116 C TRP A 139 -7.918 8.532 -5.125 1.00 0.30 C ATOM 2117 O TRP A 139 -7.883 9.569 -4.466 1.00 0.32 O ATOM 2118 CB TRP A 139 -7.965 8.941 -7.655 1.00 0.40 C ATOM 2119 CG TRP A 139 -6.572 8.398 -7.874 1.00 1.19 C ATOM 2120 CD1 TRP A 139 -6.005 7.270 -7.355 1.00 2.40 C ATOM 2121 CD2 TRP A 139 -5.574 8.980 -8.722 1.00 1.47 C ATOM 2122 NE1 TRP A 139 -4.715 7.130 -7.807 1.00 3.09 N ATOM 2123 CE2 TRP A 139 -4.428 8.166 -8.651 1.00 2.48 C ATOM 2124 CE3 TRP A 139 -5.539 10.121 -9.531 1.00 1.75 C ATOM 2125 CZ2 TRP A 139 -3.263 8.454 -9.359 1.00 2.99 C ATOM 2126 CZ3 TRP A 139 -4.383 10.404 -10.233 1.00 2.37 C ATOM 2127 CH2 TRP A 139 -3.259 9.573 -10.142 1.00 2.74 C ATOM 0 H TRP A 139 -9.844 10.189 -6.829 1.00 0.34 H new ATOM 0 HA TRP A 139 -9.030 7.420 -6.559 1.00 0.33 H new ATOM 0 HB2 TRP A 139 -8.560 8.697 -8.535 1.00 0.40 H new ATOM 0 HB3 TRP A 139 -7.896 10.028 -7.608 1.00 0.40 H new ATOM 0 HD1 TRP A 139 -6.500 6.584 -6.684 1.00 2.40 H new ATOM 0 HE1 TRP A 139 -4.076 6.376 -7.554 1.00 3.09 H new ATOM 0 HE3 TRP A 139 -6.400 10.769 -9.605 1.00 1.75 H new ATOM 0 HZ2 TRP A 139 -2.395 7.815 -9.291 1.00 2.99 H new ATOM 0 HZ3 TRP A 139 -4.345 11.281 -10.863 1.00 2.37 H new ATOM 0 HH2 TRP A 139 -2.370 9.822 -10.703 1.00 2.74 H new ATOM 2138 N VAL A 140 -7.248 7.441 -4.782 1.00 0.30 N ATOM 2139 CA VAL A 140 -6.470 7.387 -3.563 1.00 0.33 C ATOM 2140 C VAL A 140 -5.233 8.261 -3.688 1.00 0.30 C ATOM 2141 O VAL A 140 -4.304 7.968 -4.441 1.00 0.32 O ATOM 2142 CB VAL A 140 -6.084 5.937 -3.184 1.00 0.44 C ATOM 2143 CG1 VAL A 140 -7.310 5.167 -2.722 1.00 1.58 C ATOM 2144 CG2 VAL A 140 -5.427 5.213 -4.350 1.00 1.28 C ATOM 0 H VAL A 140 -7.231 6.584 -5.334 1.00 0.30 H new ATOM 0 HA VAL A 140 -7.094 7.772 -2.756 1.00 0.33 H new ATOM 0 HB VAL A 140 -5.363 5.990 -2.368 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -7.023 4.149 -2.459 1.00 1.58 H new ATOM 0 HG12 VAL A 140 -7.741 5.659 -1.850 1.00 1.58 H new ATOM 0 HG13 VAL A 140 -8.047 5.140 -3.525 1.00 1.58 H new ATOM 0 HG21 VAL A 140 -5.169 4.198 -4.049 1.00 1.28 H new ATOM 0 HG22 VAL A 140 -6.118 5.177 -5.192 1.00 1.28 H new ATOM 0 HG23 VAL A 140 -4.523 5.745 -4.645 1.00 1.28 H new ATOM 2154 N CYS A 141 -5.250 9.362 -2.969 1.00 0.30 N ATOM 2155 CA CYS A 141 -4.162 10.306 -3.021 1.00 0.26 C ATOM 2156 C CYS A 141 -3.223 10.045 -1.853 1.00 0.25 C ATOM 2157 O CYS A 141 -3.209 8.950 -1.293 1.00 0.29 O ATOM 2158 CB CYS A 141 -4.747 11.726 -2.973 1.00 0.33 C ATOM 2159 SG CYS A 141 -3.558 13.070 -3.194 1.00 1.21 S ATOM 0 H CYS A 141 -6.009 9.624 -2.340 1.00 0.30 H new ATOM 0 HA CYS A 141 -3.590 10.198 -3.943 1.00 0.26 H new ATOM 0 HB2 CYS A 141 -5.511 11.811 -3.745 1.00 0.33 H new ATOM 0 HB3 CYS A 141 -5.247 11.861 -2.014 1.00 0.33 H new ATOM 0 HG CYS A 141 -4.177 14.211 -3.135 1.00 1.21 H new ATOM 2165 N LEU A 142 -2.450 11.037 -1.485 1.00 0.21 N ATOM 2166 CA LEU A 142 -1.493 10.908 -0.435 1.00 0.23 C ATOM 2167 C LEU A 142 -1.607 12.144 0.432 1.00 0.24 C ATOM 2168 O LEU A 142 -2.040 13.187 -0.045 1.00 0.23 O ATOM 2169 CB LEU A 142 -0.125 10.792 -1.126 1.00 0.21 C ATOM 2170 CG LEU A 142 1.081 10.423 -0.280 1.00 0.22 C ATOM 2171 CD1 LEU A 142 1.165 8.917 -0.109 1.00 0.23 C ATOM 2172 CD2 LEU A 142 2.350 10.943 -0.933 1.00 0.25 C ATOM 0 H LEU A 142 -2.474 11.962 -1.915 1.00 0.21 H new ATOM 0 HA LEU A 142 -1.643 10.039 0.206 1.00 0.23 H new ATOM 0 HB2 LEU A 142 -0.215 10.049 -1.918 1.00 0.21 H new ATOM 0 HB3 LEU A 142 0.086 11.747 -1.607 1.00 0.21 H new ATOM 0 HG LEU A 142 0.972 10.880 0.703 1.00 0.22 H new ATOM 0 HD11 LEU A 142 2.034 8.668 0.500 1.00 0.23 H new ATOM 0 HD12 LEU A 142 0.262 8.556 0.383 1.00 0.23 H new ATOM 0 HD13 LEU A 142 1.259 8.444 -1.087 1.00 0.23 H new ATOM 0 HD21 LEU A 142 3.211 10.675 -0.320 1.00 0.25 H new ATOM 0 HD22 LEU A 142 2.457 10.500 -1.923 1.00 0.25 H new ATOM 0 HD23 LEU A 142 2.294 12.028 -1.024 1.00 0.25 H new ATOM 2184 N ALA A 143 -1.335 11.995 1.701 1.00 0.34 N ATOM 2185 CA ALA A 143 -1.022 13.080 2.584 1.00 0.33 C ATOM 2186 C ALA A 143 -0.576 12.419 3.851 1.00 0.60 C ATOM 2187 O ALA A 143 -0.978 11.296 4.092 1.00 0.91 O ATOM 2188 CB ALA A 143 -2.242 13.960 2.829 1.00 0.38 C ATOM 0 H ALA A 143 -1.326 11.084 2.161 1.00 0.34 H new ATOM 0 HA ALA A 143 -0.258 13.738 2.170 1.00 0.33 H new ATOM 0 HB1 ALA A 143 -1.974 14.774 3.502 1.00 0.38 H new ATOM 0 HB2 ALA A 143 -2.590 14.372 1.882 1.00 0.38 H new ATOM 0 HB3 ALA A 143 -3.036 13.364 3.279 1.00 0.38 H new ATOM 2194 N GLY A 144 0.186 13.071 4.679 1.00 0.63 N ATOM 2195 CA GLY A 144 0.368 12.530 5.999 1.00 0.93 C ATOM 2196 C GLY A 144 -0.591 13.197 6.924 1.00 0.93 C ATOM 2197 O GLY A 144 -0.432 13.173 8.137 1.00 1.13 O ATOM 0 H GLY A 144 0.675 13.943 4.479 1.00 0.63 H new ATOM 0 HA2 GLY A 144 0.200 11.453 5.993 1.00 0.93 H new ATOM 0 HA3 GLY A 144 1.392 12.691 6.336 1.00 0.93 H new ATOM 2201 N GLY A 145 -1.690 13.628 6.343 1.00 0.94 N ATOM 2202 CA GLY A 145 -2.471 14.664 6.975 1.00 1.38 C ATOM 2203 C GLY A 145 -3.820 14.881 6.346 1.00 1.61 C ATOM 2204 O GLY A 145 -4.341 13.978 5.689 1.00 1.48 O ATOM 0 H GLY A 145 -2.055 13.285 5.454 1.00 0.94 H new ATOM 0 HA2 GLY A 145 -2.608 14.412 8.027 1.00 1.38 H new ATOM 0 HA3 GLY A 145 -1.911 15.599 6.942 1.00 1.38 H new ATOM 2208 N PRO A 146 -4.397 16.080 6.602 1.00 2.13 N ATOM 2209 CA PRO A 146 -5.761 16.505 6.294 1.00 2.27 C ATOM 2210 C PRO A 146 -6.561 15.624 5.335 1.00 1.59 C ATOM 2211 O PRO A 146 -6.059 15.197 4.299 1.00 2.15 O ATOM 2212 CB PRO A 146 -5.494 17.883 5.694 1.00 3.57 C ATOM 2213 CG PRO A 146 -4.316 18.408 6.465 1.00 3.98 C ATOM 2214 CD PRO A 146 -3.695 17.227 7.188 1.00 2.93 C ATOM 0 HA PRO A 146 -6.399 16.466 7.177 1.00 2.27 H new ATOM 0 HB2 PRO A 146 -5.273 17.816 4.629 1.00 3.57 H new ATOM 0 HB3 PRO A 146 -6.360 18.536 5.799 1.00 3.57 H new ATOM 0 HG2 PRO A 146 -3.593 18.873 5.795 1.00 3.98 H new ATOM 0 HG3 PRO A 146 -4.630 19.173 7.175 1.00 3.98 H new ATOM 0 HD2 PRO A 146 -2.619 17.171 7.021 1.00 2.93 H new ATOM 0 HD3 PRO A 146 -3.848 17.287 8.266 1.00 2.93 H new ATOM 2222 N PRO A 147 -7.886 15.593 5.604 1.00 1.33 N ATOM 2223 CA PRO A 147 -8.896 14.588 5.247 1.00 1.05 C ATOM 2224 C PRO A 147 -8.546 13.364 4.372 1.00 0.70 C ATOM 2225 O PRO A 147 -9.473 12.666 3.957 1.00 0.86 O ATOM 2226 CB PRO A 147 -9.922 15.492 4.576 1.00 1.57 C ATOM 2227 CG PRO A 147 -9.886 16.751 5.401 1.00 2.12 C ATOM 2228 CD PRO A 147 -8.616 16.691 6.238 1.00 2.10 C ATOM 0 HA PRO A 147 -9.176 14.023 6.136 1.00 1.05 H new ATOM 0 HB2 PRO A 147 -9.663 15.688 3.536 1.00 1.57 H new ATOM 0 HB3 PRO A 147 -10.914 15.041 4.578 1.00 1.57 H new ATOM 0 HG2 PRO A 147 -9.886 17.633 4.761 1.00 2.12 H new ATOM 0 HG3 PRO A 147 -10.767 16.821 6.039 1.00 2.12 H new ATOM 0 HD2 PRO A 147 -8.058 17.627 6.201 1.00 2.10 H new ATOM 0 HD3 PRO A 147 -8.828 16.488 7.288 1.00 2.10 H new ATOM 2236 N SER A 148 -7.282 13.062 4.074 1.00 0.49 N ATOM 2237 CA SER A 148 -6.970 11.790 3.481 1.00 0.43 C ATOM 2238 C SER A 148 -7.013 10.717 4.567 1.00 0.37 C ATOM 2239 O SER A 148 -6.386 10.862 5.615 1.00 0.37 O ATOM 2240 CB SER A 148 -5.597 11.861 2.814 1.00 0.57 C ATOM 2241 OG SER A 148 -5.577 12.853 1.797 1.00 0.64 O ATOM 0 H SER A 148 -6.483 13.675 4.234 1.00 0.49 H new ATOM 0 HA SER A 148 -7.700 11.534 2.713 1.00 0.43 H new ATOM 0 HB2 SER A 148 -4.836 12.086 3.562 1.00 0.57 H new ATOM 0 HB3 SER A 148 -5.346 10.891 2.386 1.00 0.57 H new ATOM 0 HG SER A 148 -4.833 12.678 1.184 1.00 0.64 H new ATOM 2247 N ILE A 149 -7.748 9.651 4.325 1.00 0.37 N ATOM 2248 CA ILE A 149 -7.837 8.561 5.280 1.00 0.32 C ATOM 2249 C ILE A 149 -6.793 7.517 4.988 1.00 0.26 C ATOM 2250 O ILE A 149 -6.944 6.670 4.108 1.00 0.29 O ATOM 2251 CB ILE A 149 -9.241 7.933 5.382 1.00 0.35 C ATOM 2252 CG1 ILE A 149 -10.182 8.873 6.153 1.00 0.57 C ATOM 2253 CG2 ILE A 149 -9.184 6.583 6.086 1.00 0.56 C ATOM 2254 CD1 ILE A 149 -10.444 10.207 5.487 1.00 1.21 C ATOM 0 H ILE A 149 -8.294 9.514 3.474 1.00 0.37 H new ATOM 0 HA ILE A 149 -7.643 8.998 6.260 1.00 0.32 H new ATOM 0 HB ILE A 149 -9.620 7.783 4.371 1.00 0.35 H new ATOM 0 HG12 ILE A 149 -11.135 8.366 6.302 1.00 0.57 H new ATOM 0 HG13 ILE A 149 -9.759 9.055 7.141 1.00 0.57 H new ATOM 0 HG21 ILE A 149 -10.187 6.161 6.145 1.00 0.56 H new ATOM 0 HG22 ILE A 149 -8.538 5.907 5.525 1.00 0.56 H new ATOM 0 HG23 ILE A 149 -8.785 6.714 7.092 1.00 0.56 H new ATOM 0 HD11 ILE A 149 -11.118 10.797 6.108 1.00 1.21 H new ATOM 0 HD12 ILE A 149 -9.503 10.743 5.363 1.00 1.21 H new ATOM 0 HD13 ILE A 149 -10.900 10.043 4.511 1.00 1.21 H new ATOM 2266 N THR A 150 -5.715 7.606 5.710 1.00 0.24 N ATOM 2267 CA THR A 150 -4.595 6.759 5.471 1.00 0.25 C ATOM 2268 C THR A 150 -4.780 5.508 6.309 1.00 0.26 C ATOM 2269 O THR A 150 -3.836 4.943 6.836 1.00 0.34 O ATOM 2270 CB THR A 150 -3.268 7.504 5.846 1.00 0.28 C ATOM 2271 OG1 THR A 150 -3.415 8.241 7.083 1.00 0.53 O ATOM 2272 CG2 THR A 150 -2.881 8.491 4.761 1.00 0.69 C ATOM 0 H THR A 150 -5.592 8.267 6.477 1.00 0.24 H new ATOM 0 HA THR A 150 -4.527 6.489 4.417 1.00 0.25 H new ATOM 0 HB THR A 150 -2.497 6.742 5.957 1.00 0.28 H new ATOM 0 HG1 THR A 150 -2.573 8.695 7.295 1.00 0.53 H new ATOM 0 HG21 THR A 150 -1.957 8.997 5.042 1.00 0.69 H new ATOM 0 HG22 THR A 150 -2.732 7.959 3.821 1.00 0.69 H new ATOM 0 HG23 THR A 150 -3.675 9.227 4.639 1.00 0.69 H new ATOM 2280 N ASP A 151 -6.032 5.076 6.416 1.00 0.25 N ATOM 2281 CA ASP A 151 -6.358 3.867 7.061 1.00 0.25 C ATOM 2282 C ASP A 151 -6.515 2.802 6.031 1.00 0.26 C ATOM 2283 O ASP A 151 -6.967 3.044 4.927 1.00 0.27 O ATOM 2284 CB ASP A 151 -7.609 4.006 7.879 1.00 0.29 C ATOM 2285 CG ASP A 151 -7.380 4.663 9.228 1.00 0.79 C ATOM 2286 OD1 ASP A 151 -7.428 5.906 9.296 1.00 1.07 O ATOM 2287 OD2 ASP A 151 -7.115 3.948 10.216 1.00 1.25 O ATOM 0 H ASP A 151 -6.837 5.580 6.045 1.00 0.25 H new ATOM 0 HA ASP A 151 -5.555 3.599 7.747 1.00 0.25 H new ATOM 0 HB2 ASP A 151 -8.338 4.591 7.318 1.00 0.29 H new ATOM 0 HB3 ASP A 151 -8.044 3.019 8.034 1.00 0.29 H new ATOM 2292 N PHE A 152 -6.125 1.653 6.400 1.00 0.27 N ATOM 2293 CA PHE A 152 -6.423 0.462 5.680 1.00 0.27 C ATOM 2294 C PHE A 152 -6.765 -0.612 6.685 1.00 0.28 C ATOM 2295 O PHE A 152 -6.619 -0.412 7.873 1.00 0.30 O ATOM 2296 CB PHE A 152 -5.262 0.050 4.797 1.00 0.30 C ATOM 2297 CG PHE A 152 -5.101 0.903 3.574 1.00 1.46 C ATOM 2298 CD1 PHE A 152 -5.937 0.738 2.483 1.00 2.12 C ATOM 2299 CD2 PHE A 152 -4.116 1.874 3.517 1.00 2.11 C ATOM 2300 CE1 PHE A 152 -5.789 1.521 1.357 1.00 3.35 C ATOM 2301 CE2 PHE A 152 -3.963 2.660 2.395 1.00 3.33 C ATOM 2302 CZ PHE A 152 -4.800 2.483 1.311 1.00 3.93 C ATOM 0 H PHE A 152 -5.569 1.496 7.240 1.00 0.27 H new ATOM 0 HA PHE A 152 -7.270 0.627 5.014 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -4.342 0.089 5.380 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -5.401 -0.987 4.490 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -6.714 -0.012 2.514 1.00 2.12 H new ATOM 0 HD2 PHE A 152 -3.459 2.018 4.362 1.00 2.11 H new ATOM 0 HE1 PHE A 152 -6.447 1.381 0.512 1.00 3.35 H new ATOM 0 HE2 PHE A 152 -3.190 3.413 2.364 1.00 3.33 H new ATOM 0 HZ PHE A 152 -4.681 3.096 0.430 1.00 3.93 H new ATOM 2312 N GLN A 153 -7.241 -1.715 6.194 1.00 0.30 N ATOM 2313 CA GLN A 153 -7.781 -2.786 7.001 1.00 0.33 C ATOM 2314 C GLN A 153 -7.592 -4.061 6.223 1.00 0.38 C ATOM 2315 O GLN A 153 -7.683 -4.048 4.994 1.00 0.44 O ATOM 2316 CB GLN A 153 -9.284 -2.617 7.291 1.00 0.44 C ATOM 2317 CG GLN A 153 -9.723 -1.240 7.772 1.00 0.70 C ATOM 2318 CD GLN A 153 -11.084 -1.271 8.440 1.00 0.63 C ATOM 2319 OE1 GLN A 153 -11.457 -2.250 9.081 1.00 1.27 O ATOM 2320 NE2 GLN A 153 -11.850 -0.207 8.272 1.00 1.20 N ATOM 0 H GLN A 153 -7.269 -1.908 5.193 1.00 0.30 H new ATOM 0 HA GLN A 153 -7.265 -2.790 7.961 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -9.838 -2.856 6.383 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -9.573 -3.351 8.043 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -8.985 -0.850 8.473 1.00 0.70 H new ATOM 0 HG3 GLN A 153 -9.752 -0.554 6.926 1.00 0.70 H new ATOM 0 HE21 GLN A 153 -11.507 0.588 7.733 1.00 1.20 H new ATOM 0 HE22 GLN A 153 -12.784 -0.181 8.681 1.00 1.20 H new ATOM 2329 N ILE A 154 -7.323 -5.146 6.902 1.00 0.43 N ATOM 2330 CA ILE A 154 -7.195 -6.398 6.222 1.00 0.45 C ATOM 2331 C ILE A 154 -8.554 -7.062 6.273 1.00 0.44 C ATOM 2332 O ILE A 154 -9.044 -7.447 7.335 1.00 0.49 O ATOM 2333 CB ILE A 154 -6.146 -7.294 6.918 1.00 0.56 C ATOM 2334 CG1 ILE A 154 -4.760 -6.646 6.855 1.00 1.14 C ATOM 2335 CG2 ILE A 154 -6.122 -8.677 6.297 1.00 1.53 C ATOM 2336 CD1 ILE A 154 -3.686 -7.433 7.583 1.00 1.63 C ATOM 0 H ILE A 154 -7.191 -5.184 7.913 1.00 0.43 H new ATOM 0 HA ILE A 154 -6.865 -6.244 5.195 1.00 0.45 H new ATOM 0 HB ILE A 154 -6.427 -7.400 7.966 1.00 0.56 H new ATOM 0 HG12 ILE A 154 -4.469 -6.531 5.811 1.00 1.14 H new ATOM 0 HG13 ILE A 154 -4.817 -5.645 7.282 1.00 1.14 H new ATOM 0 HG21 ILE A 154 -5.376 -9.290 6.803 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -7.103 -9.140 6.401 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -5.869 -8.597 5.240 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -2.732 -6.913 7.495 1.00 1.63 H new ATOM 0 HD12 ILE A 154 -3.953 -7.526 8.636 1.00 1.63 H new ATOM 0 HD13 ILE A 154 -3.600 -8.426 7.142 1.00 1.63 H new ATOM 2348 N LEU A 155 -9.161 -7.167 5.109 1.00 0.43 N ATOM 2349 CA LEU A 155 -10.520 -7.655 4.992 1.00 0.44 C ATOM 2350 C LEU A 155 -10.537 -9.057 4.411 1.00 0.57 C ATOM 2351 O LEU A 155 -10.066 -9.289 3.301 1.00 0.67 O ATOM 2352 CB LEU A 155 -11.387 -6.727 4.119 1.00 0.53 C ATOM 2353 CG LEU A 155 -11.734 -5.336 4.692 1.00 0.46 C ATOM 2354 CD1 LEU A 155 -13.040 -4.847 4.081 1.00 0.82 C ATOM 2355 CD2 LEU A 155 -11.841 -5.373 6.211 1.00 0.73 C ATOM 0 H LEU A 155 -8.728 -6.917 4.220 1.00 0.43 H new ATOM 0 HA LEU A 155 -10.942 -7.673 5.997 1.00 0.44 H new ATOM 0 HB2 LEU A 155 -10.874 -6.582 3.168 1.00 0.53 H new ATOM 0 HB3 LEU A 155 -12.321 -7.245 3.901 1.00 0.53 H new ATOM 0 HG LEU A 155 -10.930 -4.646 4.435 1.00 0.46 H new ATOM 0 HD11 LEU A 155 -13.286 -3.865 4.485 1.00 0.82 H new ATOM 0 HD12 LEU A 155 -12.932 -4.777 2.999 1.00 0.82 H new ATOM 0 HD13 LEU A 155 -13.839 -5.548 4.321 1.00 0.82 H new ATOM 0 HD21 LEU A 155 -12.086 -4.378 6.583 1.00 0.73 H new ATOM 0 HD22 LEU A 155 -12.624 -6.073 6.504 1.00 0.73 H new ATOM 0 HD23 LEU A 155 -10.890 -5.694 6.635 1.00 0.73 H new ATOM 2367 N GLU A 156 -11.051 -9.989 5.178 1.00 0.67 N ATOM 2368 CA GLU A 156 -11.245 -11.342 4.702 1.00 0.89 C ATOM 2369 C GLU A 156 -12.610 -11.398 4.023 1.00 0.99 C ATOM 2370 O GLU A 156 -13.470 -10.579 4.324 1.00 0.90 O ATOM 2371 CB GLU A 156 -11.165 -12.313 5.885 1.00 1.04 C ATOM 2372 CG GLU A 156 -10.478 -13.634 5.567 1.00 1.58 C ATOM 2373 CD GLU A 156 -11.353 -14.587 4.782 1.00 2.05 C ATOM 2374 OE1 GLU A 156 -12.092 -15.370 5.410 1.00 2.57 O ATOM 2375 OE2 GLU A 156 -11.294 -14.568 3.534 1.00 2.53 O ATOM 0 H GLU A 156 -11.345 -9.835 6.142 1.00 0.67 H new ATOM 0 HA GLU A 156 -10.473 -11.630 3.988 1.00 0.89 H new ATOM 0 HB2 GLU A 156 -10.632 -11.828 6.703 1.00 1.04 H new ATOM 0 HB3 GLU A 156 -12.175 -12.518 6.240 1.00 1.04 H new ATOM 0 HG2 GLU A 156 -9.568 -13.436 5.000 1.00 1.58 H new ATOM 0 HG3 GLU A 156 -10.175 -14.112 6.499 1.00 1.58 H new ATOM 2382 N ASN A 157 -12.816 -12.353 3.133 1.00 1.23 N ATOM 2383 CA ASN A 157 -14.048 -12.415 2.341 1.00 1.41 C ATOM 2384 C ASN A 157 -15.139 -13.144 3.127 1.00 1.66 C ATOM 2385 O ASN A 157 -14.843 -13.976 3.985 1.00 1.82 O ATOM 2386 CB ASN A 157 -13.726 -13.156 1.034 1.00 1.68 C ATOM 2387 CG ASN A 157 -14.946 -13.548 0.229 1.00 2.14 C ATOM 2388 OD1 ASN A 157 -15.470 -12.760 -0.559 1.00 2.67 O ATOM 2389 ND2 ASN A 157 -15.382 -14.786 0.393 1.00 2.44 N ATOM 0 H ASN A 157 -12.150 -13.100 2.935 1.00 1.23 H new ATOM 0 HA ASN A 157 -14.416 -11.413 2.119 1.00 1.41 H new ATOM 0 HB2 ASN A 157 -13.086 -12.524 0.419 1.00 1.68 H new ATOM 0 HB3 ASN A 157 -13.155 -14.054 1.269 1.00 1.68 H new ATOM 0 HD21 ASN A 157 -16.182 -15.120 -0.144 1.00 2.44 H new ATOM 0 HD22 ASN A 157 -14.918 -15.406 1.057 1.00 2.44 H new ATOM 2396 N GLN A 158 -16.399 -12.836 2.823 1.00 1.77 N ATOM 2397 CA GLN A 158 -17.517 -13.326 3.621 1.00 2.06 C ATOM 2398 C GLN A 158 -17.817 -14.789 3.319 1.00 2.49 C ATOM 2399 O GLN A 158 -17.795 -15.638 4.209 1.00 2.73 O ATOM 2400 CB GLN A 158 -18.751 -12.461 3.364 1.00 2.08 C ATOM 2401 CG GLN A 158 -19.901 -12.734 4.316 1.00 2.54 C ATOM 2402 CD GLN A 158 -21.110 -11.869 4.027 1.00 2.68 C ATOM 2403 OE1 GLN A 158 -21.354 -11.485 2.882 1.00 3.15 O ATOM 2404 NE2 GLN A 158 -21.875 -11.554 5.061 1.00 2.98 N ATOM 0 H GLN A 158 -16.669 -12.251 2.032 1.00 1.77 H new ATOM 0 HA GLN A 158 -17.243 -13.259 4.674 1.00 2.06 H new ATOM 0 HB2 GLN A 158 -18.469 -11.411 3.441 1.00 2.08 H new ATOM 0 HB3 GLN A 158 -19.091 -12.625 2.342 1.00 2.08 H new ATOM 0 HG2 GLN A 158 -20.185 -13.784 4.247 1.00 2.54 H new ATOM 0 HG3 GLN A 158 -19.570 -12.560 5.340 1.00 2.54 H new ATOM 0 HE21 GLN A 158 -21.637 -11.893 5.993 1.00 2.98 H new ATOM 0 HE22 GLN A 158 -22.702 -10.973 4.925 1.00 2.98 H new ATOM 2413 N ALA A 159 -18.069 -15.073 2.054 1.00 2.67 N ATOM 2414 CA ALA A 159 -18.334 -16.423 1.595 1.00 3.14 C ATOM 2415 C ALA A 159 -17.731 -16.614 0.215 1.00 3.38 C ATOM 2416 O ALA A 159 -17.006 -17.603 0.007 1.00 3.55 O ATOM 2417 CB ALA A 159 -19.831 -16.695 1.568 1.00 3.37 C ATOM 2418 OXT ALA A 159 -17.939 -15.731 -0.642 1.00 3.78 O ATOM 0 H ALA A 159 -18.096 -14.371 1.314 1.00 2.67 H new ATOM 0 HA ALA A 159 -17.877 -17.132 2.286 1.00 3.14 H new ATOM 0 HB1 ALA A 159 -20.010 -17.713 1.221 1.00 3.37 H new ATOM 0 HB2 ALA A 159 -20.240 -16.577 2.571 1.00 3.37 H new ATOM 0 HB3 ALA A 159 -20.317 -15.991 0.892 1.00 3.37 H new TER 2424 ALA A 159