USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1230 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 95 SER OG : rot 64:sc= -0.0548 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -5.95! C(o=-6!,f=-8.9!) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.406 K(o=-0.6,f=-5.2) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -128:sc= 1.19 (180deg=0) USER MOD Set 2.3: A 84 ASN : amide:sc= -1.39 K(o=-0.6,f=-8.8!) USER MOD Single : A 1 ASN : amide:sc= -2.52! C(o=-2.5!,f=-4.3!) USER MOD Single : A 1 ASN N :NH3+ -109:sc= 0.0865 (180deg=-0.00664) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -8.08! C(o=-8.1!,f=-11!) USER MOD Single : A 9 SER OG : rot 150:sc= -1.93! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 0.301 (180deg=0.19) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -80:sc= 0.603 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.456 USER MOD Single : A 34 ASN : amide:sc= 0.125 K(o=0.12,f=-3.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 13:sc= 0.815 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.283 (180deg=-0.287) USER MOD Single : A 49 LYS NZ :NH3+ 146:sc= -1.3 (180deg=-3.17!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.65! C(o=-4.7!,f=-11!) USER MOD Single : A 63 HIS : +bothHN:sc= -2.06! C(o=-2.1!,f=-5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 1.11 (180deg=0.784) USER MOD Single : A 76 THR OG1 : rot -98:sc= 0.896 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.48! C(o=-4.8!,f=-2.5!) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00998 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.3) USER MOD Single : A 107 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0317) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -7:sc= 0.767 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.116 F(o=-0.89,f=-0.12) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc= -0.0352 (180deg=-0.306) USER MOD Single : A 131 ASN : amide:sc= -4.96! C(o=-5!,f=-4.5!) USER MOD Single : A 133 MET CE :methyl -140:sc=-0.00379 (180deg=-1.86) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 137:sc= 0.0203 USER MOD Single : A 142 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.13) USER MOD Single : A 143 SER OG : rot -161:sc= -1.24 USER MOD Single : A 145 GLN :FLIP amide:sc= -0.614 F(o=-2!,f=-0.61) USER MOD Single : A 147 LYS NZ :NH3+ 160:sc= 1.59 (180deg=0.946) USER MOD Single : A 154 LYS NZ :NH3+ -129:sc= 1.83 (180deg=0.18) USER MOD Single : A 155 LYS NZ :NH3+ -167:sc= -0.0254 (180deg=-0.209) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.141 14.139 -7.450 1.00 1.65 N ATOM 2 CA ASN A 1 5.356 13.859 -6.013 1.00 1.32 C ATOM 3 C ASN A 1 6.826 13.559 -5.745 1.00 1.24 C ATOM 4 O ASN A 1 7.653 13.728 -6.631 1.00 1.61 O ATOM 5 CB ASN A 1 4.470 12.696 -5.539 1.00 1.23 C ATOM 6 CG ASN A 1 4.638 11.417 -6.341 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.684 11.160 -6.929 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.606 10.586 -6.340 1.00 1.42 N ATOM 0 H1 ASN A 1 4.936 15.150 -7.580 1.00 1.65 H new ATOM 0 H2 ASN A 1 5.997 13.888 -7.984 1.00 1.65 H new ATOM 0 H3 ASN A 1 4.339 13.576 -7.797 1.00 1.65 H new ATOM 0 HA ASN A 1 5.074 14.747 -5.447 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.693 12.487 -4.493 1.00 1.23 H new ATOM 0 HB3 ASN A 1 3.426 13.007 -5.586 1.00 1.23 H new ATOM 0 HD21 ASN A 1 3.665 9.699 -6.839 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.752 10.834 -5.840 1.00 1.42 H new ATOM 17 N TYR A 2 7.129 13.188 -4.496 1.00 1.16 N ATOM 18 CA TYR A 2 8.468 12.752 -4.039 1.00 1.12 C ATOM 19 C TYR A 2 9.470 13.907 -4.003 1.00 1.22 C ATOM 20 O TYR A 2 10.364 13.921 -3.164 1.00 1.20 O ATOM 21 CB TYR A 2 9.008 11.521 -4.822 1.00 1.31 C ATOM 22 CG TYR A 2 9.813 11.788 -6.086 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.113 12.277 -6.026 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.280 11.512 -7.338 1.00 1.84 C ATOM 25 CE1 TYR A 2 11.851 12.490 -7.173 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.010 11.726 -8.493 1.00 2.43 C ATOM 27 CZ TYR A 2 11.297 12.217 -8.403 1.00 2.97 C ATOM 28 OH TYR A 2 12.032 12.429 -9.549 1.00 3.73 O ATOM 0 H TYR A 2 6.435 13.180 -3.749 1.00 1.16 H new ATOM 0 HA TYR A 2 8.340 12.415 -3.010 1.00 1.12 H new ATOM 0 HB2 TYR A 2 9.631 10.938 -4.144 1.00 1.31 H new ATOM 0 HB3 TYR A 2 8.158 10.895 -5.091 1.00 1.31 H new ATOM 0 HD1 TYR A 2 11.554 12.494 -5.064 1.00 2.21 H new ATOM 0 HD2 TYR A 2 8.275 11.122 -7.411 1.00 1.84 H new ATOM 0 HE1 TYR A 2 12.860 12.870 -7.105 1.00 2.90 H new ATOM 0 HE2 TYR A 2 9.576 11.511 -9.458 1.00 2.43 H new ATOM 0 HH TYR A 2 11.495 12.185 -10.332 1.00 3.73 H new ATOM 38 N ASP A 3 9.317 14.871 -4.900 1.00 1.44 N ATOM 39 CA ASP A 3 10.115 16.089 -4.850 1.00 1.65 C ATOM 40 C ASP A 3 9.894 16.816 -3.515 1.00 1.53 C ATOM 41 O ASP A 3 10.858 17.129 -2.816 1.00 1.62 O ATOM 42 CB ASP A 3 9.791 16.992 -6.046 1.00 1.99 C ATOM 43 CG ASP A 3 10.479 18.338 -5.970 1.00 2.44 C ATOM 44 OD1 ASP A 3 11.725 18.378 -6.011 1.00 2.78 O ATOM 45 OD2 ASP A 3 9.772 19.365 -5.910 1.00 2.63 O ATOM 0 H ASP A 3 8.649 14.834 -5.670 1.00 1.44 H new ATOM 0 HA ASP A 3 11.170 15.825 -4.914 1.00 1.65 H new ATOM 0 HB2 ASP A 3 10.088 16.489 -6.966 1.00 1.99 H new ATOM 0 HB3 ASP A 3 8.713 17.143 -6.099 1.00 1.99 H new ATOM 50 N PRO A 4 8.631 17.110 -3.135 1.00 1.46 N ATOM 51 CA PRO A 4 8.310 17.554 -1.790 1.00 1.45 C ATOM 52 C PRO A 4 7.881 16.381 -0.903 1.00 1.27 C ATOM 53 O PRO A 4 8.553 16.031 0.071 1.00 1.34 O ATOM 54 CB PRO A 4 7.146 18.525 -2.020 1.00 1.61 C ATOM 55 CG PRO A 4 6.573 18.187 -3.372 1.00 1.63 C ATOM 56 CD PRO A 4 7.429 17.100 -3.978 1.00 1.52 C ATOM 0 HA PRO A 4 9.157 18.008 -1.275 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.392 18.419 -1.241 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.491 19.559 -1.991 1.00 1.61 H new ATOM 0 HG2 PRO A 4 5.540 17.851 -3.276 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.563 19.068 -4.014 1.00 1.63 H new ATOM 0 HD2 PRO A 4 6.928 16.132 -3.953 1.00 1.52 H new ATOM 0 HD3 PRO A 4 7.667 17.309 -5.021 1.00 1.52 H new ATOM 64 N PHE A 5 6.762 15.778 -1.270 1.00 1.17 N ATOM 65 CA PHE A 5 6.254 14.588 -0.618 1.00 1.11 C ATOM 66 C PHE A 5 5.448 13.802 -1.640 1.00 0.94 C ATOM 67 O PHE A 5 5.218 14.288 -2.747 1.00 1.01 O ATOM 68 CB PHE A 5 5.389 14.949 0.600 1.00 1.40 C ATOM 69 CG PHE A 5 4.149 15.734 0.271 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.213 17.100 0.054 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.917 15.104 0.188 1.00 2.34 C ATOM 72 CE1 PHE A 5 3.074 17.824 -0.241 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.775 15.821 -0.107 1.00 3.21 C ATOM 74 CZ PHE A 5 1.853 17.182 -0.322 1.00 3.19 C ATOM 0 H PHE A 5 6.176 16.107 -2.038 1.00 1.17 H new ATOM 0 HA PHE A 5 7.084 13.985 -0.249 1.00 1.11 H new ATOM 0 HB2 PHE A 5 5.098 14.030 1.109 1.00 1.40 H new ATOM 0 HB3 PHE A 5 5.993 15.524 1.302 1.00 1.40 H new ATOM 0 HD1 PHE A 5 5.165 17.606 0.116 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.850 14.039 0.356 1.00 2.34 H new ATOM 0 HE1 PHE A 5 3.138 18.889 -0.408 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.822 15.318 -0.169 1.00 3.21 H new ATOM 0 HZ PHE A 5 0.961 17.745 -0.553 1.00 3.19 H new ATOM 84 N VAL A 6 5.041 12.595 -1.299 1.00 0.85 N ATOM 85 CA VAL A 6 4.245 11.790 -2.213 1.00 0.79 C ATOM 86 C VAL A 6 2.806 11.709 -1.736 1.00 0.69 C ATOM 87 O VAL A 6 2.498 10.997 -0.781 1.00 0.77 O ATOM 88 CB VAL A 6 4.804 10.362 -2.368 1.00 0.92 C ATOM 89 CG1 VAL A 6 3.885 9.510 -3.230 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.205 10.394 -2.943 1.00 1.41 C ATOM 0 H VAL A 6 5.245 12.150 -0.404 1.00 0.85 H new ATOM 0 HA VAL A 6 4.289 12.282 -3.185 1.00 0.79 H new ATOM 0 HB VAL A 6 4.853 9.908 -1.378 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.301 8.507 -3.324 1.00 1.44 H new ATOM 0 HG12 VAL A 6 2.901 9.452 -2.765 1.00 1.44 H new ATOM 0 HG13 VAL A 6 3.794 9.959 -4.219 1.00 1.44 H new ATOM 0 HG21 VAL A 6 6.580 9.376 -3.044 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.186 10.872 -3.922 1.00 1.41 H new ATOM 0 HG23 VAL A 6 6.859 10.957 -2.277 1.00 1.41 H new ATOM 100 N ARG A 7 1.930 12.452 -2.378 1.00 0.64 N ATOM 101 CA ARG A 7 0.528 12.377 -2.042 1.00 0.56 C ATOM 102 C ARG A 7 -0.188 11.384 -2.935 1.00 0.54 C ATOM 103 O ARG A 7 -0.041 11.410 -4.157 1.00 0.64 O ATOM 104 CB ARG A 7 -0.150 13.738 -2.146 1.00 0.57 C ATOM 105 CG ARG A 7 -1.557 13.733 -1.573 1.00 0.57 C ATOM 106 CD ARG A 7 -2.213 15.093 -1.682 1.00 0.71 C ATOM 107 NE ARG A 7 -2.581 15.432 -3.056 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.794 15.860 -3.401 1.00 2.25 C ATOM 109 NH1 ARG A 7 -4.771 15.874 -2.504 1.00 2.26 N ATOM 110 NH2 ARG A 7 -4.047 16.243 -4.647 1.00 3.37 N ATOM 0 H ARG A 7 2.161 13.106 -3.126 1.00 0.64 H new ATOM 0 HA ARG A 7 0.465 12.040 -1.007 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.450 14.480 -1.620 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -0.188 14.042 -3.192 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -2.161 12.995 -2.100 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.522 13.429 -0.527 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -3.105 15.113 -1.056 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.534 15.852 -1.294 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.875 15.336 -3.785 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -4.593 15.557 -1.551 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -5.700 16.202 -2.767 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -3.309 16.211 -5.350 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -4.979 16.569 -4.901 1.00 3.37 H new ATOM 124 N HIS A 8 -0.946 10.500 -2.315 1.00 0.47 N ATOM 125 CA HIS A 8 -1.802 9.587 -3.047 1.00 0.46 C ATOM 126 C HIS A 8 -3.246 9.973 -2.807 1.00 0.39 C ATOM 127 O HIS A 8 -3.651 10.199 -1.671 1.00 0.39 O ATOM 128 CB HIS A 8 -1.494 8.127 -2.635 1.00 0.56 C ATOM 129 CG HIS A 8 -2.664 7.187 -2.454 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.721 6.263 -1.429 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.786 6.991 -3.182 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.823 5.547 -1.536 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.484 5.966 -2.593 1.00 0.76 N ATOM 0 H HIS A 8 -0.986 10.395 -1.301 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.612 9.654 -4.118 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.833 7.698 -3.388 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.937 8.153 -1.699 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.079 7.540 -4.065 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.130 4.754 -0.871 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.373 5.590 -2.922 1.00 0.76 H new ATOM 142 N SER A 9 -4.017 10.029 -3.875 1.00 0.42 N ATOM 143 CA SER A 9 -5.415 10.369 -3.772 1.00 0.40 C ATOM 144 C SER A 9 -6.247 9.418 -4.614 1.00 0.41 C ATOM 145 O SER A 9 -6.169 9.410 -5.843 1.00 0.53 O ATOM 146 CB SER A 9 -5.650 11.829 -4.187 1.00 0.52 C ATOM 147 OG SER A 9 -6.947 12.274 -3.814 1.00 1.28 O ATOM 0 H SER A 9 -3.694 9.842 -4.824 1.00 0.42 H new ATOM 0 HA SER A 9 -5.726 10.266 -2.732 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.898 12.466 -3.722 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.527 11.926 -5.266 1.00 0.52 H new ATOM 0 HG SER A 9 -6.923 13.237 -3.635 1.00 1.28 H new ATOM 153 N VAL A 10 -7.011 8.592 -3.921 1.00 0.35 N ATOM 154 CA VAL A 10 -7.874 7.603 -4.561 1.00 0.36 C ATOM 155 C VAL A 10 -9.323 7.749 -4.115 1.00 0.32 C ATOM 156 O VAL A 10 -9.601 7.967 -2.937 1.00 0.32 O ATOM 157 CB VAL A 10 -7.386 6.163 -4.266 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.513 5.145 -4.377 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.256 5.797 -5.208 1.00 1.18 C ATOM 0 H VAL A 10 -7.054 8.584 -2.902 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.821 7.785 -5.634 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.026 6.140 -3.237 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.126 4.149 -4.162 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.298 5.391 -3.662 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -8.923 5.165 -5.387 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -5.918 4.783 -4.994 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.608 5.853 -6.238 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.428 6.492 -5.070 1.00 1.18 H new ATOM 169 N THR A 11 -10.234 7.636 -5.069 1.00 0.35 N ATOM 170 CA THR A 11 -11.651 7.606 -4.773 1.00 0.34 C ATOM 171 C THR A 11 -12.158 6.166 -4.737 1.00 0.33 C ATOM 172 O THR A 11 -12.115 5.449 -5.740 1.00 0.43 O ATOM 173 CB THR A 11 -12.449 8.407 -5.813 1.00 0.46 C ATOM 174 OG1 THR A 11 -12.031 9.776 -5.790 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.941 8.323 -5.541 1.00 0.51 C ATOM 0 H THR A 11 -10.011 7.563 -6.062 1.00 0.35 H new ATOM 0 HA THR A 11 -11.796 8.063 -3.794 1.00 0.34 H new ATOM 0 HB THR A 11 -12.256 7.979 -6.797 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.540 10.285 -6.455 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.481 8.899 -6.293 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.261 7.282 -5.583 1.00 0.51 H new ATOM 0 HG23 THR A 11 -14.154 8.728 -4.552 1.00 0.51 H new ATOM 183 N VAL A 12 -12.625 5.757 -3.570 1.00 0.29 N ATOM 184 CA VAL A 12 -13.124 4.409 -3.346 1.00 0.35 C ATOM 185 C VAL A 12 -14.640 4.353 -3.526 1.00 0.32 C ATOM 186 O VAL A 12 -15.349 5.284 -3.143 1.00 0.36 O ATOM 187 CB VAL A 12 -12.695 3.938 -1.943 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.456 2.710 -1.477 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.202 3.661 -1.969 1.00 0.81 C ATOM 0 H VAL A 12 -12.669 6.355 -2.745 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.695 3.733 -4.085 1.00 0.35 H new ATOM 0 HB VAL A 12 -12.929 4.727 -1.229 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.112 2.424 -0.483 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.522 2.934 -1.441 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.281 1.888 -2.172 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -10.877 3.326 -0.984 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -10.989 2.886 -2.705 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.667 4.572 -2.237 1.00 0.81 H new ATOM 199 N LYS A 13 -15.125 3.254 -4.105 1.00 0.34 N ATOM 200 CA LYS A 13 -16.506 3.174 -4.576 1.00 0.38 C ATOM 201 C LYS A 13 -17.414 2.448 -3.585 1.00 0.31 C ATOM 202 O LYS A 13 -18.542 2.095 -3.929 1.00 0.37 O ATOM 203 CB LYS A 13 -16.575 2.416 -5.908 1.00 0.58 C ATOM 204 CG LYS A 13 -15.359 2.565 -6.810 1.00 0.68 C ATOM 205 CD LYS A 13 -15.087 4.008 -7.191 1.00 0.97 C ATOM 206 CE LYS A 13 -14.138 4.085 -8.373 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.741 3.511 -9.610 1.00 0.98 N ATOM 0 H LYS A 13 -14.580 2.406 -4.259 1.00 0.34 H new ATOM 0 HA LYS A 13 -16.850 4.202 -4.692 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -16.721 1.357 -5.696 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.455 2.756 -6.454 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -14.484 2.156 -6.305 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -15.509 1.976 -7.715 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -16.024 4.506 -7.439 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.659 4.539 -6.340 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.865 5.125 -8.552 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.219 3.550 -8.136 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.051 2.886 -10.075 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.590 2.965 -9.361 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.002 4.281 -10.258 1.00 0.98 H new ATOM 221 N ALA A 14 -16.948 2.223 -2.365 1.00 0.29 N ATOM 222 CA ALA A 14 -17.718 1.412 -1.429 1.00 0.30 C ATOM 223 C ALA A 14 -17.388 1.730 0.022 1.00 0.28 C ATOM 224 O ALA A 14 -17.316 0.826 0.859 1.00 0.31 O ATOM 225 CB ALA A 14 -17.491 -0.067 -1.715 1.00 0.36 C ATOM 0 H ALA A 14 -16.063 2.580 -2.005 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.771 1.654 -1.575 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.069 -0.666 -1.012 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.809 -0.294 -2.733 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.432 -0.300 -1.605 1.00 0.36 H new ATOM 231 N ASP A 15 -17.201 3.014 0.315 1.00 0.28 N ATOM 232 CA ASP A 15 -17.017 3.491 1.692 1.00 0.31 C ATOM 233 C ASP A 15 -15.634 3.121 2.247 1.00 0.28 C ATOM 234 O ASP A 15 -14.898 2.307 1.675 1.00 0.29 O ATOM 235 CB ASP A 15 -18.136 2.944 2.599 1.00 0.39 C ATOM 236 CG ASP A 15 -18.189 3.590 3.972 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.459 3.139 4.880 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.981 4.539 4.154 1.00 0.76 O ATOM 0 H ASP A 15 -17.172 3.753 -0.387 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.075 4.579 1.677 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.096 3.090 2.103 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -17.999 1.869 2.719 1.00 0.39 H new ATOM 243 N ARG A 16 -15.300 3.730 3.373 1.00 0.28 N ATOM 244 CA ARG A 16 -13.992 3.592 3.989 1.00 0.27 C ATOM 245 C ARG A 16 -13.804 2.186 4.545 1.00 0.28 C ATOM 246 O ARG A 16 -12.676 1.717 4.707 1.00 0.28 O ATOM 247 CB ARG A 16 -13.851 4.636 5.097 1.00 0.29 C ATOM 248 CG ARG A 16 -12.425 4.889 5.533 1.00 0.28 C ATOM 249 CD ARG A 16 -12.306 6.220 6.259 1.00 0.40 C ATOM 250 NE ARG A 16 -13.053 6.256 7.508 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.815 7.133 8.477 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.890 8.071 8.313 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.507 7.079 9.604 1.00 1.88 N ATOM 0 H ARG A 16 -15.935 4.339 3.889 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.219 3.756 3.238 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.286 5.575 4.754 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.431 4.313 5.961 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.092 4.083 6.187 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.769 4.885 4.663 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.255 6.422 6.465 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.662 7.017 5.606 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.798 5.573 7.646 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.361 8.119 7.442 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.708 8.744 9.058 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.223 6.364 9.729 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.324 7.753 10.348 1.00 1.88 H new ATOM 267 N LYS A 17 -14.917 1.518 4.827 1.00 0.33 N ATOM 268 CA LYS A 17 -14.888 0.152 5.332 1.00 0.39 C ATOM 269 C LYS A 17 -14.216 -0.794 4.332 1.00 0.35 C ATOM 270 O LYS A 17 -13.444 -1.672 4.724 1.00 0.37 O ATOM 271 CB LYS A 17 -16.310 -0.319 5.672 1.00 0.53 C ATOM 272 CG LYS A 17 -17.304 -0.173 4.530 1.00 1.34 C ATOM 273 CD LYS A 17 -18.737 -0.402 4.991 1.00 1.70 C ATOM 274 CE LYS A 17 -19.150 0.608 6.055 1.00 2.46 C ATOM 275 NZ LYS A 17 -20.612 0.567 6.330 1.00 3.05 N ATOM 0 H LYS A 17 -15.855 1.903 4.713 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.293 0.136 6.245 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.272 -1.366 5.974 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.673 0.247 6.530 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -17.217 0.824 4.098 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -17.058 -0.885 3.742 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -19.411 -0.329 4.137 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.835 -1.412 5.389 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.603 0.407 6.976 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.871 1.610 5.730 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.848 1.270 7.059 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -21.135 0.784 5.458 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.876 -0.382 6.665 1.00 3.05 H new ATOM 289 N THR A 18 -14.478 -0.597 3.041 1.00 0.35 N ATOM 290 CA THR A 18 -13.868 -1.433 2.018 1.00 0.36 C ATOM 291 C THR A 18 -12.473 -0.935 1.683 1.00 0.33 C ATOM 292 O THR A 18 -11.564 -1.733 1.465 1.00 0.37 O ATOM 293 CB THR A 18 -14.704 -1.480 0.728 1.00 0.41 C ATOM 294 OG1 THR A 18 -14.936 -0.153 0.254 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.030 -2.186 0.962 1.00 0.80 C ATOM 0 H THR A 18 -15.102 0.127 2.685 1.00 0.35 H new ATOM 0 HA THR A 18 -13.817 -2.441 2.430 1.00 0.36 H new ATOM 0 HB THR A 18 -14.147 -2.042 -0.022 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.668 0.253 0.764 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.601 -2.205 0.034 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.845 -3.207 1.295 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.596 -1.653 1.725 1.00 0.80 H new ATOM 303 N ALA A 19 -12.304 0.387 1.661 1.00 0.29 N ATOM 304 CA ALA A 19 -11.004 0.981 1.369 1.00 0.29 C ATOM 305 C ALA A 19 -9.950 0.459 2.338 1.00 0.28 C ATOM 306 O ALA A 19 -8.845 0.108 1.936 1.00 0.32 O ATOM 307 CB ALA A 19 -11.076 2.500 1.424 1.00 0.31 C ATOM 0 H ALA A 19 -13.047 1.062 1.841 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.718 0.693 0.358 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.094 2.919 1.203 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.797 2.857 0.689 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.388 2.814 2.420 1.00 0.31 H new ATOM 313 N PHE A 20 -10.308 0.386 3.613 1.00 0.25 N ATOM 314 CA PHE A 20 -9.416 -0.166 4.623 1.00 0.26 C ATOM 315 C PHE A 20 -9.283 -1.674 4.450 1.00 0.31 C ATOM 316 O PHE A 20 -8.177 -2.218 4.488 1.00 0.33 O ATOM 317 CB PHE A 20 -9.934 0.158 6.025 1.00 0.28 C ATOM 318 CG PHE A 20 -9.182 -0.536 7.129 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.942 -0.077 7.537 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.721 -1.649 7.760 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.253 -0.711 8.554 1.00 0.37 C ATOM 322 CE2 PHE A 20 -9.036 -2.287 8.776 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.801 -1.816 9.173 1.00 0.38 C ATOM 0 H PHE A 20 -11.209 0.702 3.972 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.433 0.288 4.498 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.878 1.235 6.182 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.986 -0.119 6.086 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.507 0.786 7.055 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.687 -2.021 7.453 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.287 -0.342 8.864 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.466 -3.152 9.258 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.264 -2.312 9.968 1.00 0.38 H new ATOM 333 N LYS A 21 -10.417 -2.342 4.260 1.00 0.35 N ATOM 334 CA LYS A 21 -10.435 -3.792 4.115 1.00 0.42 C ATOM 335 C LYS A 21 -9.516 -4.247 3.000 1.00 0.44 C ATOM 336 O LYS A 21 -8.622 -5.062 3.207 1.00 0.49 O ATOM 337 CB LYS A 21 -11.841 -4.268 3.779 1.00 0.49 C ATOM 338 CG LYS A 21 -11.934 -5.774 3.622 1.00 0.64 C ATOM 339 CD LYS A 21 -11.751 -6.465 4.961 1.00 1.24 C ATOM 340 CE LYS A 21 -11.939 -7.966 4.860 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.980 -8.600 6.203 1.00 2.39 N ATOM 0 H LYS A 21 -11.335 -1.901 4.203 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.098 -4.214 5.062 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.525 -3.947 4.565 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.170 -3.791 2.856 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -12.902 -6.041 3.198 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.173 -6.119 2.922 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.754 -6.250 5.346 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.464 -6.058 5.678 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -12.864 -8.183 4.325 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -11.125 -8.398 4.277 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -12.404 -9.547 6.127 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.013 -8.683 6.577 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -12.551 -8.015 6.846 1.00 2.39 H new ATOM 355 N THR A 22 -9.738 -3.696 1.830 1.00 0.43 N ATOM 356 CA THR A 22 -9.003 -4.093 0.653 1.00 0.48 C ATOM 357 C THR A 22 -7.532 -3.695 0.765 1.00 0.49 C ATOM 358 O THR A 22 -6.655 -4.518 0.535 1.00 0.68 O ATOM 359 CB THR A 22 -9.641 -3.478 -0.609 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.049 -3.752 -0.609 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.025 -4.042 -1.880 1.00 0.58 C ATOM 0 H THR A 22 -10.429 -2.964 1.668 1.00 0.43 H new ATOM 0 HA THR A 22 -9.049 -5.179 0.571 1.00 0.48 H new ATOM 0 HB THR A 22 -9.459 -2.403 -0.590 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.501 -3.141 0.009 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.500 -3.585 -2.748 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.957 -3.825 -1.894 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.176 -5.121 -1.910 1.00 0.58 H new ATOM 369 N PHE A 23 -7.271 -2.455 1.176 1.00 0.37 N ATOM 370 CA PHE A 23 -5.906 -1.925 1.212 1.00 0.38 C ATOM 371 C PHE A 23 -5.023 -2.675 2.213 1.00 0.38 C ATOM 372 O PHE A 23 -3.829 -2.857 1.975 1.00 0.43 O ATOM 373 CB PHE A 23 -5.924 -0.427 1.547 1.00 0.37 C ATOM 374 CG PHE A 23 -4.578 0.240 1.463 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.086 0.699 0.249 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.807 0.412 2.602 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.850 1.313 0.175 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.571 1.025 2.533 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.091 1.475 1.317 1.00 0.48 C ATOM 0 H PHE A 23 -7.985 -1.798 1.489 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.477 -2.070 0.221 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.610 0.078 0.867 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.320 -0.296 2.554 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.675 0.575 -0.647 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.177 0.063 3.555 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.478 1.666 -0.776 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.980 1.153 3.428 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.124 1.952 1.260 1.00 0.48 H new ATOM 389 N LEU A 24 -5.597 -3.111 3.327 1.00 0.35 N ATOM 390 CA LEU A 24 -4.790 -3.731 4.368 1.00 0.37 C ATOM 391 C LEU A 24 -5.028 -5.236 4.469 1.00 0.39 C ATOM 392 O LEU A 24 -4.087 -6.025 4.421 1.00 0.48 O ATOM 393 CB LEU A 24 -5.059 -3.073 5.720 1.00 0.40 C ATOM 394 CG LEU A 24 -3.949 -3.277 6.748 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.670 -2.611 6.267 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.364 -2.732 8.104 1.00 0.44 C ATOM 0 H LEU A 24 -6.595 -3.049 3.530 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.747 -3.579 4.090 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.206 -2.004 5.568 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.991 -3.468 6.125 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.766 -4.346 6.860 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.882 -2.760 7.005 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.366 -3.051 5.317 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.844 -1.543 6.133 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.558 -2.888 8.821 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.573 -1.666 8.019 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.259 -3.251 8.446 1.00 0.44 H new ATOM 408 N GLU A 25 -6.279 -5.638 4.618 1.00 0.40 N ATOM 409 CA GLU A 25 -6.595 -7.046 4.820 1.00 0.46 C ATOM 410 C GLU A 25 -6.551 -7.815 3.510 1.00 0.54 C ATOM 411 O GLU A 25 -6.061 -8.943 3.453 1.00 1.01 O ATOM 412 CB GLU A 25 -7.969 -7.201 5.464 1.00 0.51 C ATOM 413 CG GLU A 25 -8.053 -6.637 6.872 1.00 0.66 C ATOM 414 CD GLU A 25 -9.338 -7.037 7.563 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.687 -8.234 7.543 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.991 -6.149 8.155 1.00 1.18 O ATOM 0 H GLU A 25 -7.088 -5.017 4.604 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.839 -7.460 5.488 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.711 -6.704 4.839 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.231 -8.259 5.490 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.202 -6.989 7.456 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.985 -5.550 6.832 1.00 0.66 H new ATOM 423 N GLY A 26 -7.042 -7.185 2.462 1.00 0.37 N ATOM 424 CA GLY A 26 -7.135 -7.833 1.168 1.00 0.45 C ATOM 425 C GLY A 26 -5.908 -7.601 0.321 1.00 0.48 C ATOM 426 O GLY A 26 -5.999 -7.536 -0.896 1.00 0.83 O ATOM 0 H GLY A 26 -7.383 -6.224 2.480 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.278 -8.904 1.310 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.013 -7.461 0.640 1.00 0.45 H new ATOM 430 N PHE A 27 -4.757 -7.510 0.967 1.00 0.42 N ATOM 431 CA PHE A 27 -3.516 -7.158 0.292 1.00 0.44 C ATOM 432 C PHE A 27 -3.246 -8.051 -0.933 1.00 0.47 C ATOM 433 O PHE A 27 -2.930 -7.540 -2.006 1.00 0.53 O ATOM 434 CB PHE A 27 -2.347 -7.219 1.283 1.00 0.48 C ATOM 435 CG PHE A 27 -1.070 -6.628 0.757 1.00 0.49 C ATOM 436 CD1 PHE A 27 -0.963 -5.268 0.519 1.00 0.57 C ATOM 437 CD2 PHE A 27 0.026 -7.437 0.504 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.214 -4.725 0.041 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.204 -6.900 0.026 1.00 0.74 C ATOM 440 CZ PHE A 27 1.284 -5.527 -0.230 1.00 0.71 C ATOM 0 H PHE A 27 -4.655 -7.677 1.968 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.617 -6.138 -0.080 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.630 -6.694 2.196 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.169 -8.259 1.556 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.809 -4.625 0.709 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.042 -8.500 0.683 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.288 -3.659 -0.119 1.00 0.65 H new ATOM 0 HE2 PHE A 27 2.059 -7.536 -0.149 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.189 -5.104 -0.640 1.00 0.71 H new ATOM 450 N PRO A 28 -3.364 -9.393 -0.810 1.00 0.49 N ATOM 451 CA PRO A 28 -3.112 -10.297 -1.933 1.00 0.57 C ATOM 452 C PRO A 28 -4.339 -10.608 -2.806 1.00 0.59 C ATOM 453 O PRO A 28 -4.308 -11.559 -3.586 1.00 0.76 O ATOM 454 CB PRO A 28 -2.664 -11.555 -1.212 1.00 0.73 C ATOM 455 CG PRO A 28 -3.511 -11.588 0.010 1.00 0.74 C ATOM 456 CD PRO A 28 -3.677 -10.151 0.426 1.00 0.52 C ATOM 0 HA PRO A 28 -2.405 -9.864 -2.640 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.814 -12.443 -1.826 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.604 -11.516 -0.962 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.476 -12.051 -0.195 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.038 -12.172 0.799 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.690 -9.949 0.775 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.001 -9.888 1.240 1.00 0.52 H new ATOM 464 N GLU A 29 -5.415 -9.833 -2.691 1.00 0.54 N ATOM 465 CA GLU A 29 -6.600 -10.098 -3.512 1.00 0.67 C ATOM 466 C GLU A 29 -6.655 -9.149 -4.704 1.00 0.69 C ATOM 467 O GLU A 29 -7.529 -9.267 -5.567 1.00 0.85 O ATOM 468 CB GLU A 29 -7.898 -9.973 -2.700 1.00 0.85 C ATOM 469 CG GLU A 29 -8.297 -8.541 -2.383 1.00 0.90 C ATOM 470 CD GLU A 29 -9.675 -8.436 -1.758 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.889 -9.006 -0.663 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.550 -7.777 -2.354 1.00 1.49 O ATOM 0 H GLU A 29 -5.495 -9.038 -2.057 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.516 -11.125 -3.868 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.707 -10.450 -3.253 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.783 -10.522 -1.765 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.562 -8.106 -1.705 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.274 -7.951 -3.299 1.00 0.90 H new ATOM 479 N TRP A 30 -5.723 -8.210 -4.744 1.00 0.64 N ATOM 480 CA TRP A 30 -5.727 -7.185 -5.776 1.00 0.81 C ATOM 481 C TRP A 30 -5.242 -7.736 -7.111 1.00 0.66 C ATOM 482 O TRP A 30 -4.464 -8.686 -7.169 1.00 0.74 O ATOM 483 CB TRP A 30 -4.844 -5.998 -5.389 1.00 1.07 C ATOM 484 CG TRP A 30 -5.093 -5.455 -4.016 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.183 -5.664 -3.223 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.222 -4.591 -3.283 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.028 -5.006 -2.027 1.00 0.80 N ATOM 488 CE2 TRP A 30 -4.833 -4.332 -2.047 1.00 2.05 C ATOM 489 CE3 TRP A 30 -2.979 -4.017 -3.553 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.241 -3.524 -1.083 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.393 -3.213 -2.595 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.025 -2.972 -1.373 1.00 4.29 C ATOM 0 H TRP A 30 -4.956 -8.136 -4.076 1.00 0.64 H new ATOM 0 HA TRP A 30 -6.760 -6.851 -5.875 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -3.799 -6.301 -5.461 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -4.995 -5.198 -6.114 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.042 -6.259 -3.495 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.691 -5.017 -1.252 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -2.484 -4.198 -4.495 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.726 -3.339 -0.136 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.431 -2.764 -2.794 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.544 -2.337 -0.644 1.00 4.29 H new ATOM 503 N TRP A 31 -5.700 -7.101 -8.174 1.00 0.55 N ATOM 504 CA TRP A 31 -5.303 -7.448 -9.533 1.00 0.57 C ATOM 505 C TRP A 31 -3.933 -6.856 -9.927 1.00 0.60 C ATOM 506 O TRP A 31 -3.115 -7.562 -10.511 1.00 0.74 O ATOM 507 CB TRP A 31 -6.359 -6.947 -10.523 1.00 0.74 C ATOM 508 CG TRP A 31 -7.763 -7.231 -10.095 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.698 -6.319 -9.697 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.387 -8.514 -10.011 1.00 1.24 C ATOM 511 NE1 TRP A 31 -9.869 -6.959 -9.373 1.00 1.10 N ATOM 512 CE2 TRP A 31 -9.703 -8.308 -9.558 1.00 1.54 C ATOM 513 CE3 TRP A 31 -7.959 -9.817 -10.276 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.595 -9.361 -9.367 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -8.845 -10.859 -10.086 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.150 -10.625 -9.635 1.00 2.78 C ATOM 0 H TRP A 31 -6.361 -6.326 -8.123 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.218 -8.534 -9.568 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.239 -5.872 -10.656 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.183 -7.410 -11.494 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.540 -5.252 -9.645 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -10.723 -6.505 -9.048 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -6.954 -10.006 -10.623 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.602 -9.185 -9.020 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.526 -11.871 -10.289 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -10.819 -11.461 -9.496 1.00 2.78 H new ATOM 527 N PRO A 32 -3.653 -5.560 -9.607 1.00 0.71 N ATOM 528 CA PRO A 32 -2.534 -4.807 -10.205 1.00 0.84 C ATOM 529 C PRO A 32 -1.178 -5.504 -10.123 1.00 0.85 C ATOM 530 O PRO A 32 -0.690 -6.049 -11.112 1.00 1.36 O ATOM 531 CB PRO A 32 -2.490 -3.499 -9.403 1.00 1.01 C ATOM 532 CG PRO A 32 -3.330 -3.748 -8.198 1.00 0.92 C ATOM 533 CD PRO A 32 -4.370 -4.725 -8.631 1.00 0.87 C ATOM 0 HA PRO A 32 -2.706 -4.682 -11.274 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.468 -3.243 -9.124 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -2.879 -2.666 -9.988 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.732 -4.148 -7.379 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.784 -2.825 -7.839 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.744 -5.314 -7.794 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.230 -4.227 -9.080 1.00 0.87 H new ATOM 541 N ASN A 33 -0.569 -5.476 -8.947 1.00 0.53 N ATOM 542 CA ASN A 33 0.784 -5.986 -8.785 1.00 0.57 C ATOM 543 C ASN A 33 0.812 -7.117 -7.766 1.00 0.67 C ATOM 544 O ASN A 33 1.787 -7.861 -7.663 1.00 0.72 O ATOM 545 CB ASN A 33 1.708 -4.838 -8.354 1.00 0.60 C ATOM 546 CG ASN A 33 3.159 -5.255 -8.219 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.909 -5.282 -9.193 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.574 -5.553 -7.000 1.00 0.76 N ATOM 0 H ASN A 33 -0.989 -5.107 -8.094 1.00 0.53 H new ATOM 0 HA ASN A 33 1.135 -6.389 -9.735 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.636 -4.030 -9.082 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.361 -4.440 -7.400 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.547 -5.817 -6.843 1.00 0.76 H new ATOM 0 HD22 ASN A 33 2.922 -5.519 -6.217 1.00 0.76 H new ATOM 555 N ASN A 34 -0.292 -7.273 -7.051 1.00 0.85 N ATOM 556 CA ASN A 34 -0.349 -8.190 -5.916 1.00 1.03 C ATOM 557 C ASN A 34 -0.993 -9.509 -6.310 1.00 1.40 C ATOM 558 O ASN A 34 -1.421 -10.280 -5.458 1.00 1.74 O ATOM 559 CB ASN A 34 -1.133 -7.556 -4.766 1.00 1.07 C ATOM 560 CG ASN A 34 -0.478 -6.299 -4.226 1.00 1.16 C ATOM 561 OD1 ASN A 34 0.185 -5.557 -4.952 1.00 1.79 O ATOM 562 ND2 ASN A 34 -0.667 -6.045 -2.948 1.00 1.47 N ATOM 0 H ASN A 34 -1.164 -6.777 -7.235 1.00 0.85 H new ATOM 0 HA ASN A 34 0.673 -8.389 -5.592 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.140 -7.316 -5.108 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.235 -8.282 -3.959 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -0.258 -5.210 -2.528 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.222 -6.683 -2.378 1.00 1.47 H new ATOM 569 N PHE A 35 -1.036 -9.773 -7.604 1.00 1.51 N ATOM 570 CA PHE A 35 -1.684 -10.974 -8.110 1.00 1.98 C ATOM 571 C PHE A 35 -0.665 -12.099 -8.327 1.00 2.03 C ATOM 572 O PHE A 35 -0.987 -13.153 -8.879 1.00 2.51 O ATOM 573 CB PHE A 35 -2.426 -10.650 -9.413 1.00 2.40 C ATOM 574 CG PHE A 35 -3.442 -11.682 -9.811 1.00 2.92 C ATOM 575 CD1 PHE A 35 -3.279 -12.427 -10.967 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.562 -11.904 -9.025 1.00 3.49 C ATOM 577 CE1 PHE A 35 -4.216 -13.375 -11.332 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.501 -12.849 -9.385 1.00 4.27 C ATOM 579 CZ PHE A 35 -5.329 -13.586 -10.541 1.00 4.45 C ATOM 0 H PHE A 35 -0.631 -9.174 -8.324 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.404 -11.322 -7.370 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.925 -9.687 -9.305 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.698 -10.543 -10.217 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.411 -12.266 -11.589 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.701 -11.331 -8.120 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -4.078 -13.951 -12.235 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.369 -13.012 -8.764 1.00 4.27 H new ATOM 0 HZ PHE A 35 -6.063 -14.325 -10.826 1.00 4.45 H new ATOM 589 N ARG A 36 0.566 -11.882 -7.875 1.00 1.65 N ATOM 590 CA ARG A 36 1.614 -12.884 -8.037 1.00 1.75 C ATOM 591 C ARG A 36 2.129 -13.379 -6.695 1.00 1.59 C ATOM 592 O ARG A 36 2.336 -12.597 -5.765 1.00 1.48 O ATOM 593 CB ARG A 36 2.773 -12.344 -8.872 1.00 1.73 C ATOM 594 CG ARG A 36 2.470 -12.273 -10.359 1.00 1.84 C ATOM 595 CD ARG A 36 1.886 -13.586 -10.873 1.00 2.25 C ATOM 596 NE ARG A 36 2.733 -14.743 -10.558 1.00 2.72 N ATOM 597 CZ ARG A 36 2.297 -16.006 -10.563 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.016 -16.265 -10.799 1.00 3.59 N ATOM 599 NH2 ARG A 36 3.134 -17.009 -10.319 1.00 4.14 N ATOM 0 H ARG A 36 0.861 -11.030 -7.398 1.00 1.65 H new ATOM 0 HA ARG A 36 1.167 -13.727 -8.564 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.034 -11.348 -8.515 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.647 -12.977 -8.718 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.768 -11.462 -10.550 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.383 -12.040 -10.907 1.00 1.84 H new ATOM 0 HD2 ARG A 36 0.898 -13.735 -10.438 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.752 -13.522 -11.953 1.00 2.25 H new ATOM 0 HE ARG A 36 3.711 -14.573 -10.322 1.00 2.72 H new ATOM 0 HH11 ARG A 36 0.365 -15.500 -10.976 1.00 3.59 H new ATOM 0 HH12 ARG A 36 0.683 -17.229 -10.803 1.00 3.59 H new ATOM 0 HH21 ARG A 36 4.117 -16.817 -10.126 1.00 4.14 H new ATOM 0 HH22 ARG A 36 2.793 -17.970 -10.325 1.00 4.14 H new ATOM 613 N THR A 37 2.382 -14.677 -6.625 1.00 1.75 N ATOM 614 CA THR A 37 2.766 -15.327 -5.385 1.00 1.72 C ATOM 615 C THR A 37 4.226 -15.034 -5.045 1.00 1.37 C ATOM 616 O THR A 37 5.050 -14.833 -5.939 1.00 1.37 O ATOM 617 CB THR A 37 2.551 -16.851 -5.490 1.00 2.19 C ATOM 618 OG1 THR A 37 1.271 -17.118 -6.076 1.00 2.53 O ATOM 619 CG2 THR A 37 2.627 -17.512 -4.122 1.00 2.68 C ATOM 0 H THR A 37 2.327 -15.307 -7.425 1.00 1.75 H new ATOM 0 HA THR A 37 2.137 -14.930 -4.588 1.00 1.72 H new ATOM 0 HB THR A 37 3.342 -17.263 -6.117 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.138 -18.087 -6.143 1.00 2.53 H new ATOM 0 HG21 THR A 37 2.472 -18.586 -4.228 1.00 2.68 H new ATOM 0 HG22 THR A 37 3.608 -17.329 -3.683 1.00 2.68 H new ATOM 0 HG23 THR A 37 1.856 -17.096 -3.474 1.00 2.68 H new ATOM 627 N THR A 38 4.508 -14.972 -3.741 1.00 1.24 N ATOM 628 CA THR A 38 5.844 -14.695 -3.188 1.00 1.07 C ATOM 629 C THR A 38 6.418 -13.359 -3.663 1.00 1.09 C ATOM 630 O THR A 38 7.576 -13.046 -3.403 1.00 1.38 O ATOM 631 CB THR A 38 6.858 -15.837 -3.443 1.00 1.16 C ATOM 632 OG1 THR A 38 6.985 -16.121 -4.841 1.00 1.42 O ATOM 633 CG2 THR A 38 6.436 -17.096 -2.705 1.00 1.37 C ATOM 0 H THR A 38 3.800 -15.116 -3.021 1.00 1.24 H new ATOM 0 HA THR A 38 5.689 -14.629 -2.111 1.00 1.07 H new ATOM 0 HB THR A 38 7.827 -15.505 -3.069 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.560 -15.406 -5.360 1.00 1.42 H new ATOM 0 HG21 THR A 38 7.159 -17.889 -2.895 1.00 1.37 H new ATOM 0 HG22 THR A 38 6.392 -16.893 -1.635 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.453 -17.411 -3.055 1.00 1.37 H new ATOM 641 N LYS A 39 5.605 -12.573 -4.348 1.00 0.96 N ATOM 642 CA LYS A 39 5.972 -11.207 -4.673 1.00 1.09 C ATOM 643 C LYS A 39 5.370 -10.282 -3.622 1.00 1.22 C ATOM 644 O LYS A 39 6.060 -9.835 -2.712 1.00 1.97 O ATOM 645 CB LYS A 39 5.486 -10.838 -6.081 1.00 1.15 C ATOM 646 CG LYS A 39 5.902 -9.447 -6.532 1.00 1.49 C ATOM 647 CD LYS A 39 5.345 -9.124 -7.908 1.00 1.66 C ATOM 648 CE LYS A 39 5.951 -7.849 -8.469 1.00 2.28 C ATOM 649 NZ LYS A 39 5.439 -7.543 -9.832 1.00 2.90 N ATOM 0 H LYS A 39 4.687 -12.858 -4.689 1.00 0.96 H new ATOM 0 HA LYS A 39 7.057 -11.101 -4.669 1.00 1.09 H new ATOM 0 HB2 LYS A 39 5.871 -11.570 -6.791 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.399 -10.908 -6.109 1.00 1.15 H new ATOM 0 HG2 LYS A 39 5.550 -8.708 -5.812 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.990 -9.379 -6.552 1.00 1.49 H new ATOM 0 HD2 LYS A 39 5.546 -9.953 -8.587 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.262 -9.017 -7.847 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.727 -7.017 -7.802 1.00 2.28 H new ATOM 0 HE3 LYS A 39 7.036 -7.947 -8.503 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 6.240 -7.386 -10.477 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 4.869 -8.342 -10.176 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 4.849 -6.687 -9.797 1.00 2.90 H new ATOM 663 N VAL A 40 4.072 -10.038 -3.748 1.00 1.04 N ATOM 664 CA VAL A 40 3.294 -9.317 -2.744 1.00 1.22 C ATOM 665 C VAL A 40 1.878 -9.877 -2.733 1.00 1.42 C ATOM 666 O VAL A 40 0.950 -9.285 -2.189 1.00 1.83 O ATOM 667 CB VAL A 40 3.242 -7.796 -3.015 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.550 -7.125 -2.624 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.922 -7.526 -4.476 1.00 1.40 C ATOM 0 H VAL A 40 3.524 -10.336 -4.555 1.00 1.04 H new ATOM 0 HA VAL A 40 3.780 -9.455 -1.778 1.00 1.22 H new ATOM 0 HB VAL A 40 2.448 -7.372 -2.400 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.485 -6.056 -2.825 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.737 -7.283 -1.562 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.367 -7.554 -3.204 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.889 -6.450 -4.649 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.692 -7.971 -5.106 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.954 -7.963 -4.723 1.00 1.40 H new ATOM 679 N GLY A 41 1.740 -11.049 -3.340 1.00 1.42 N ATOM 680 CA GLY A 41 0.444 -11.675 -3.484 1.00 1.82 C ATOM 681 C GLY A 41 0.458 -13.111 -3.018 1.00 1.67 C ATOM 682 O GLY A 41 0.137 -14.030 -3.770 1.00 2.17 O ATOM 0 H GLY A 41 2.514 -11.581 -3.739 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.295 -11.115 -2.912 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.136 -11.635 -4.529 1.00 1.82 H new ATOM 686 N ALA A 42 0.878 -13.302 -1.784 1.00 1.12 N ATOM 687 CA ALA A 42 0.827 -14.604 -1.146 1.00 1.00 C ATOM 688 C ALA A 42 -0.336 -14.612 -0.161 1.00 1.01 C ATOM 689 O ALA A 42 -0.908 -13.558 0.089 1.00 1.09 O ATOM 690 CB ALA A 42 2.149 -14.894 -0.449 1.00 0.80 C ATOM 0 H ALA A 42 1.263 -12.563 -1.196 1.00 1.12 H new ATOM 0 HA ALA A 42 0.670 -15.387 -1.888 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.102 -15.873 0.027 1.00 0.80 H new ATOM 0 HB2 ALA A 42 2.956 -14.885 -1.181 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.337 -14.132 0.307 1.00 0.80 H new ATOM 696 N PRO A 43 -0.714 -15.778 0.402 1.00 1.05 N ATOM 697 CA PRO A 43 -1.842 -15.886 1.355 1.00 1.15 C ATOM 698 C PRO A 43 -1.608 -15.141 2.679 1.00 1.08 C ATOM 699 O PRO A 43 -1.747 -15.716 3.759 1.00 1.40 O ATOM 700 CB PRO A 43 -1.949 -17.396 1.615 1.00 1.29 C ATOM 701 CG PRO A 43 -1.211 -18.041 0.493 1.00 1.48 C ATOM 702 CD PRO A 43 -0.112 -17.093 0.132 1.00 1.11 C ATOM 0 HA PRO A 43 -2.743 -15.432 0.942 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.512 -17.661 2.578 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.990 -17.718 1.638 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.810 -19.009 0.794 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.869 -18.219 -0.357 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.781 -17.260 0.734 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.184 -17.196 -0.912 1.00 1.11 H new ATOM 710 N LEU A 44 -1.280 -13.858 2.583 1.00 0.87 N ATOM 711 CA LEU A 44 -1.057 -13.014 3.746 1.00 0.85 C ATOM 712 C LEU A 44 -0.921 -11.548 3.323 1.00 0.81 C ATOM 713 O LEU A 44 -1.917 -10.830 3.234 1.00 1.24 O ATOM 714 CB LEU A 44 0.183 -13.473 4.517 1.00 0.95 C ATOM 715 CG LEU A 44 0.622 -12.555 5.655 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.510 -12.329 6.646 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.828 -13.144 6.359 1.00 1.66 C ATOM 0 H LEU A 44 -1.161 -13.374 1.693 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.919 -13.103 4.407 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.011 -14.464 4.926 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.010 -13.574 3.814 1.00 0.95 H new ATOM 0 HG LEU A 44 0.893 -11.589 5.230 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.168 -11.672 7.445 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.355 -11.869 6.134 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.819 -13.285 7.070 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.135 -12.483 7.170 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.570 -14.122 6.766 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.648 -13.251 5.648 1.00 1.66 H new ATOM 729 N GLY A 45 0.308 -11.111 3.065 1.00 0.61 N ATOM 730 CA GLY A 45 0.535 -9.764 2.591 1.00 0.75 C ATOM 731 C GLY A 45 0.691 -8.772 3.721 1.00 0.61 C ATOM 732 O GLY A 45 1.711 -8.097 3.834 1.00 0.61 O ATOM 0 H GLY A 45 1.153 -11.672 3.178 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.431 -9.747 1.970 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.298 -9.460 1.957 1.00 0.75 H new ATOM 736 N VAL A 46 -0.318 -8.693 4.566 1.00 0.54 N ATOM 737 CA VAL A 46 -0.322 -7.754 5.672 1.00 0.45 C ATOM 738 C VAL A 46 -0.788 -8.434 6.953 1.00 0.47 C ATOM 739 O VAL A 46 -1.762 -9.190 6.949 1.00 0.60 O ATOM 740 CB VAL A 46 -1.230 -6.539 5.394 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.302 -5.638 6.615 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.741 -5.755 4.187 1.00 0.49 C ATOM 0 H VAL A 46 -1.154 -9.274 4.507 1.00 0.54 H new ATOM 0 HA VAL A 46 0.703 -7.403 5.789 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.231 -6.911 5.174 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.947 -4.786 6.401 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.709 -6.198 7.457 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.302 -5.283 6.864 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.400 -4.904 4.014 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.272 -5.398 4.371 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.744 -6.400 3.308 1.00 0.49 H new ATOM 752 N ASP A 47 -0.092 -8.145 8.037 1.00 0.41 N ATOM 753 CA ASP A 47 -0.412 -8.693 9.341 1.00 0.49 C ATOM 754 C ASP A 47 -1.008 -7.605 10.225 1.00 0.52 C ATOM 755 O ASP A 47 -0.383 -6.562 10.437 1.00 0.57 O ATOM 756 CB ASP A 47 0.853 -9.255 9.981 1.00 0.58 C ATOM 757 CG ASP A 47 0.618 -9.782 11.374 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.436 -11.006 11.529 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.626 -8.974 12.319 1.00 0.95 O ATOM 0 H ASP A 47 0.715 -7.521 8.037 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.142 -9.495 9.229 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.246 -10.057 9.356 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.614 -8.476 10.016 1.00 0.58 H new ATOM 764 N LYS A 48 -2.218 -7.844 10.726 1.00 0.63 N ATOM 765 CA LYS A 48 -2.943 -6.838 11.502 1.00 0.79 C ATOM 766 C LYS A 48 -2.461 -6.761 12.951 1.00 0.85 C ATOM 767 O LYS A 48 -2.453 -5.684 13.547 1.00 1.06 O ATOM 768 CB LYS A 48 -4.452 -7.108 11.497 1.00 1.01 C ATOM 769 CG LYS A 48 -5.134 -6.844 10.164 1.00 1.38 C ATOM 770 CD LYS A 48 -5.218 -8.099 9.316 1.00 1.34 C ATOM 771 CE LYS A 48 -4.472 -7.936 8.006 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.712 -9.084 7.091 1.00 2.81 N ATOM 0 H LYS A 48 -2.718 -8.725 10.609 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.739 -5.884 11.016 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.624 -8.147 11.779 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.922 -6.488 12.261 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -6.137 -6.456 10.340 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.585 -6.074 9.621 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -4.804 -8.942 9.869 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.263 -8.333 9.114 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -4.786 -7.012 7.521 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.404 -7.845 8.204 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.375 -8.844 6.137 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -4.199 -9.919 7.439 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -5.730 -9.293 7.056 1.00 2.81 H new ATOM 786 N LYS A 49 -2.063 -7.898 13.514 1.00 0.80 N ATOM 787 CA LYS A 49 -1.743 -7.964 14.939 1.00 0.97 C ATOM 788 C LYS A 49 -0.428 -7.255 15.259 1.00 1.14 C ATOM 789 O LYS A 49 -0.359 -6.454 16.192 1.00 1.32 O ATOM 790 CB LYS A 49 -1.711 -9.422 15.428 1.00 1.08 C ATOM 791 CG LYS A 49 -0.821 -10.338 14.602 1.00 1.35 C ATOM 792 CD LYS A 49 -0.829 -11.775 15.110 1.00 1.66 C ATOM 793 CE LYS A 49 0.073 -11.975 16.324 1.00 2.40 C ATOM 794 NZ LYS A 49 -0.441 -11.303 17.548 1.00 3.17 N ATOM 0 H LYS A 49 -1.955 -8.779 13.012 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.535 -7.440 15.474 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.369 -9.439 16.463 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -2.727 -9.818 15.421 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.153 -10.321 13.564 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.200 -9.957 14.617 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.849 -12.059 15.370 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -0.507 -12.441 14.309 1.00 1.66 H new ATOM 0 HE2 LYS A 49 0.178 -13.042 16.519 1.00 2.40 H new ATOM 0 HE3 LYS A 49 1.068 -11.593 16.097 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -0.198 -11.871 18.384 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.011 -10.360 17.633 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -1.475 -11.207 17.483 1.00 3.17 H new ATOM 808 N GLY A 50 0.605 -7.531 14.477 1.00 1.22 N ATOM 809 CA GLY A 50 1.892 -6.912 14.709 1.00 1.53 C ATOM 810 C GLY A 50 2.051 -5.635 13.917 1.00 1.14 C ATOM 811 O GLY A 50 2.818 -4.749 14.297 1.00 1.29 O ATOM 0 H GLY A 50 0.574 -8.173 13.685 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.006 -6.697 15.772 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.685 -7.609 14.438 1.00 1.53 H new ATOM 815 N GLY A 51 1.325 -5.543 12.814 1.00 0.77 N ATOM 816 CA GLY A 51 1.406 -4.369 11.974 1.00 0.65 C ATOM 817 C GLY A 51 2.595 -4.441 11.049 1.00 0.56 C ATOM 818 O GLY A 51 3.484 -3.587 11.088 1.00 0.60 O ATOM 0 H GLY A 51 0.680 -6.262 12.486 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.492 -4.274 11.388 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.480 -3.477 12.597 1.00 0.65 H new ATOM 822 N ARG A 52 2.615 -5.462 10.207 1.00 0.51 N ATOM 823 CA ARG A 52 3.758 -5.708 9.346 1.00 0.53 C ATOM 824 C ARG A 52 3.322 -6.295 8.009 1.00 0.50 C ATOM 825 O ARG A 52 2.417 -7.122 7.950 1.00 0.60 O ATOM 826 CB ARG A 52 4.751 -6.630 10.067 1.00 0.68 C ATOM 827 CG ARG A 52 4.124 -7.910 10.601 1.00 1.04 C ATOM 828 CD ARG A 52 4.915 -8.479 11.768 1.00 1.42 C ATOM 829 NE ARG A 52 6.237 -8.963 11.372 1.00 2.14 N ATOM 830 CZ ARG A 52 7.364 -8.672 12.024 1.00 2.80 C ATOM 831 NH1 ARG A 52 7.345 -7.845 13.064 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.511 -9.208 11.631 1.00 3.72 N ATOM 0 H ARG A 52 1.853 -6.132 10.102 1.00 0.51 H new ATOM 0 HA ARG A 52 4.253 -4.761 9.131 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.556 -6.890 9.380 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.203 -6.085 10.896 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.101 -7.709 10.918 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.071 -8.650 9.802 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.028 -7.711 12.533 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.353 -9.297 12.218 1.00 1.42 H new ATOM 0 HE ARG A 52 6.301 -9.559 10.547 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.465 -7.428 13.368 1.00 2.98 H new ATOM 0 HH12 ARG A 52 8.210 -7.627 13.558 1.00 2.98 H new ATOM 0 HH21 ARG A 52 8.531 -9.841 10.832 1.00 3.72 H new ATOM 0 HH22 ARG A 52 9.374 -8.987 12.128 1.00 3.72 H new ATOM 846 N TRP A 53 3.955 -5.842 6.937 1.00 0.52 N ATOM 847 CA TRP A 53 3.623 -6.311 5.592 1.00 0.53 C ATOM 848 C TRP A 53 4.592 -7.396 5.151 1.00 0.57 C ATOM 849 O TRP A 53 5.748 -7.107 4.852 1.00 0.73 O ATOM 850 CB TRP A 53 3.681 -5.163 4.575 1.00 0.65 C ATOM 851 CG TRP A 53 2.598 -4.140 4.715 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.868 -3.854 5.829 1.00 0.53 C ATOM 853 CD2 TRP A 53 2.129 -3.255 3.690 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.971 -2.850 5.560 1.00 0.68 N ATOM 855 CE2 TRP A 53 1.112 -2.466 4.252 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.473 -3.055 2.347 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.433 -1.491 3.521 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.799 -2.087 1.624 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.790 -1.316 2.213 1.00 1.28 C ATOM 0 H TRP A 53 4.703 -5.149 6.968 1.00 0.52 H new ATOM 0 HA TRP A 53 2.609 -6.710 5.629 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.646 -4.664 4.667 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.635 -5.584 3.571 1.00 0.65 H new ATOM 0 HD1 TRP A 53 1.979 -4.345 6.784 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.307 -2.454 6.226 1.00 0.68 H new ATOM 0 HE3 TRP A 53 3.250 -3.646 1.884 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.347 -0.896 3.972 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 2.056 -1.923 0.588 1.00 1.20 H new ATOM 0 HH2 TRP A 53 0.283 -0.568 1.622 1.00 1.28 H new ATOM 870 N TYR A 54 4.126 -8.629 5.092 1.00 0.49 N ATOM 871 CA TYR A 54 4.961 -9.734 4.653 1.00 0.58 C ATOM 872 C TYR A 54 4.102 -10.840 4.057 1.00 0.49 C ATOM 873 O TYR A 54 2.930 -10.991 4.406 1.00 0.52 O ATOM 874 CB TYR A 54 5.839 -10.265 5.799 1.00 0.75 C ATOM 875 CG TYR A 54 5.100 -10.976 6.921 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.418 -12.289 7.251 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.110 -10.337 7.660 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.774 -12.944 8.283 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.459 -10.991 8.692 1.00 0.95 C ATOM 880 CZ TYR A 54 3.796 -12.292 9.001 1.00 1.20 C ATOM 881 OH TYR A 54 3.152 -12.943 10.031 1.00 1.66 O ATOM 0 H TYR A 54 3.173 -8.892 5.343 1.00 0.49 H new ATOM 0 HA TYR A 54 5.633 -9.366 3.878 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.574 -10.952 5.380 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.392 -9.428 6.226 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.182 -12.806 6.690 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.845 -9.316 7.425 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.036 -13.963 8.526 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.689 -10.483 9.254 1.00 0.95 H new ATOM 0 HH TYR A 54 2.491 -12.343 10.435 1.00 1.66 H new ATOM 891 N GLU A 55 4.679 -11.590 3.138 1.00 0.52 N ATOM 892 CA GLU A 55 3.947 -12.625 2.444 1.00 0.56 C ATOM 893 C GLU A 55 4.556 -13.991 2.728 1.00 0.62 C ATOM 894 O GLU A 55 5.714 -14.096 3.130 1.00 0.81 O ATOM 895 CB GLU A 55 3.924 -12.351 0.934 1.00 0.73 C ATOM 896 CG GLU A 55 3.320 -11.002 0.558 1.00 0.81 C ATOM 897 CD GLU A 55 4.302 -9.845 0.666 1.00 1.51 C ATOM 898 OE1 GLU A 55 5.479 -10.081 1.014 1.00 1.94 O ATOM 899 OE2 GLU A 55 3.900 -8.699 0.398 1.00 2.12 O ATOM 0 H GLU A 55 5.655 -11.499 2.856 1.00 0.52 H new ATOM 0 HA GLU A 55 2.920 -12.622 2.809 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.943 -12.401 0.550 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.358 -13.141 0.440 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.943 -11.054 -0.463 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.465 -10.803 1.204 1.00 0.81 H new ATOM 906 N ILE A 56 3.769 -15.031 2.505 1.00 0.63 N ATOM 907 CA ILE A 56 4.203 -16.394 2.773 1.00 0.68 C ATOM 908 C ILE A 56 5.125 -16.878 1.659 1.00 0.70 C ATOM 909 O ILE A 56 4.673 -17.180 0.552 1.00 0.80 O ATOM 910 CB ILE A 56 2.993 -17.349 2.887 1.00 0.83 C ATOM 911 CG1 ILE A 56 1.956 -16.794 3.869 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.443 -18.736 3.319 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.490 -16.579 5.270 1.00 0.90 C ATOM 0 H ILE A 56 2.821 -14.957 2.137 1.00 0.63 H new ATOM 0 HA ILE A 56 4.740 -16.395 3.721 1.00 0.68 H new ATOM 0 HB ILE A 56 2.529 -17.428 1.904 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.578 -15.846 3.486 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.110 -17.480 3.915 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.576 -19.393 3.393 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.141 -19.137 2.584 1.00 0.92 H new ATOM 0 HG23 ILE A 56 3.935 -18.673 4.290 1.00 0.92 H new ATOM 0 HD11 ILE A 56 1.697 -16.185 5.905 1.00 0.90 H new ATOM 0 HD12 ILE A 56 2.841 -17.528 5.675 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.317 -15.869 5.239 1.00 0.90 H new ATOM 925 N ASP A 57 6.420 -16.912 1.945 1.00 0.65 N ATOM 926 CA ASP A 57 7.407 -17.326 0.961 1.00 0.72 C ATOM 927 C ASP A 57 7.737 -18.810 1.126 1.00 0.76 C ATOM 928 O ASP A 57 7.187 -19.483 1.998 1.00 0.96 O ATOM 929 CB ASP A 57 8.664 -16.462 1.089 1.00 0.84 C ATOM 930 CG ASP A 57 9.516 -16.477 -0.169 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.279 -15.640 -1.062 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.423 -17.328 -0.267 1.00 1.97 O ATOM 0 H ASP A 57 6.810 -16.657 2.852 1.00 0.65 H new ATOM 0 HA ASP A 57 6.995 -17.186 -0.038 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.373 -15.436 1.314 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.259 -16.816 1.930 1.00 0.84 H new ATOM 937 N GLU A 58 8.657 -19.308 0.311 1.00 0.87 N ATOM 938 CA GLU A 58 8.880 -20.745 0.194 1.00 1.01 C ATOM 939 C GLU A 58 9.751 -21.303 1.320 1.00 1.04 C ATOM 940 O GLU A 58 9.909 -22.520 1.442 1.00 1.17 O ATOM 941 CB GLU A 58 9.499 -21.067 -1.166 1.00 1.35 C ATOM 942 CG GLU A 58 10.858 -20.431 -1.400 1.00 1.54 C ATOM 943 CD GLU A 58 11.399 -20.731 -2.781 1.00 2.04 C ATOM 944 OE1 GLU A 58 11.424 -19.814 -3.627 1.00 2.43 O ATOM 945 OE2 GLU A 58 11.810 -21.883 -3.027 1.00 2.21 O ATOM 0 H GLU A 58 9.262 -18.738 -0.280 1.00 0.87 H new ATOM 0 HA GLU A 58 7.907 -21.230 0.281 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.596 -22.149 -1.261 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.817 -20.738 -1.950 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.780 -19.352 -1.269 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.561 -20.793 -0.650 1.00 1.54 H new ATOM 952 N GLN A 59 10.312 -20.430 2.144 1.00 1.10 N ATOM 953 CA GLN A 59 11.124 -20.880 3.271 1.00 1.36 C ATOM 954 C GLN A 59 10.281 -20.932 4.539 1.00 1.39 C ATOM 955 O GLN A 59 10.738 -21.375 5.593 1.00 1.70 O ATOM 956 CB GLN A 59 12.355 -19.979 3.472 1.00 1.60 C ATOM 957 CG GLN A 59 12.085 -18.649 4.170 1.00 1.69 C ATOM 958 CD GLN A 59 11.066 -17.794 3.453 1.00 1.62 C ATOM 959 OE1 GLN A 59 9.874 -17.839 3.755 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.521 -17.032 2.482 1.00 1.40 N ATOM 0 H GLN A 59 10.223 -19.418 2.058 1.00 1.10 H new ATOM 0 HA GLN A 59 11.485 -21.884 3.048 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.097 -20.530 4.051 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.798 -19.775 2.497 1.00 1.60 H new ATOM 0 HG2 GLN A 59 11.737 -18.843 5.185 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.020 -18.094 4.254 1.00 1.69 H new ATOM 0 HE21 GLN A 59 12.517 -17.024 2.264 1.00 1.40 H new ATOM 0 HE22 GLN A 59 10.877 -16.449 1.947 1.00 1.40 H new ATOM 969 N GLY A 60 9.040 -20.483 4.418 1.00 1.19 N ATOM 970 CA GLY A 60 8.145 -20.442 5.551 1.00 1.39 C ATOM 971 C GLY A 60 7.201 -19.260 5.480 1.00 1.45 C ATOM 972 O GLY A 60 6.084 -19.383 4.979 1.00 2.29 O ATOM 0 H GLY A 60 8.636 -20.144 3.545 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.568 -21.366 5.592 1.00 1.39 H new ATOM 0 HA3 GLY A 60 8.726 -20.388 6.472 1.00 1.39 H new ATOM 976 N GLU A 61 7.663 -18.110 5.961 1.00 1.11 N ATOM 977 CA GLU A 61 6.853 -16.890 6.017 1.00 1.15 C ATOM 978 C GLU A 61 7.762 -15.672 6.052 1.00 1.26 C ATOM 979 O GLU A 61 7.334 -14.581 6.418 1.00 1.72 O ATOM 980 CB GLU A 61 5.968 -16.851 7.276 1.00 1.33 C ATOM 981 CG GLU A 61 4.992 -18.005 7.424 1.00 1.38 C ATOM 982 CD GLU A 61 4.136 -17.878 8.665 1.00 1.69 C ATOM 983 OE1 GLU A 61 4.695 -17.879 9.783 1.00 1.77 O ATOM 984 OE2 GLU A 61 2.896 -17.790 8.531 1.00 2.31 O ATOM 0 H GLU A 61 8.609 -17.994 6.324 1.00 1.11 H new ATOM 0 HA GLU A 61 6.218 -16.883 5.131 1.00 1.15 H new ATOM 0 HB2 GLU A 61 6.615 -16.830 8.153 1.00 1.33 H new ATOM 0 HB3 GLU A 61 5.404 -15.918 7.274 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.349 -18.049 6.545 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.545 -18.943 7.462 1.00 1.38 H new ATOM 991 N GLU A 62 9.006 -15.849 5.647 1.00 1.06 N ATOM 992 CA GLU A 62 10.012 -14.837 5.893 1.00 1.20 C ATOM 993 C GLU A 62 10.232 -14.000 4.646 1.00 1.00 C ATOM 994 O GLU A 62 11.056 -14.319 3.789 1.00 1.08 O ATOM 995 CB GLU A 62 11.308 -15.488 6.365 1.00 1.54 C ATOM 996 CG GLU A 62 12.204 -14.551 7.158 1.00 1.98 C ATOM 997 CD GLU A 62 11.483 -13.923 8.337 1.00 2.16 C ATOM 998 OE1 GLU A 62 11.147 -12.723 8.261 1.00 2.61 O ATOM 999 OE2 GLU A 62 11.235 -14.630 9.340 1.00 2.56 O ATOM 0 H GLU A 62 9.340 -16.676 5.151 1.00 1.06 H new ATOM 0 HA GLU A 62 9.664 -14.172 6.683 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.067 -16.355 6.981 1.00 1.54 H new ATOM 0 HB3 GLU A 62 11.857 -15.856 5.498 1.00 1.54 H new ATOM 0 HG2 GLU A 62 13.073 -15.102 7.518 1.00 1.98 H new ATOM 0 HG3 GLU A 62 12.575 -13.764 6.501 1.00 1.98 H new ATOM 1006 N HIS A 63 9.446 -12.950 4.538 1.00 0.90 N ATOM 1007 CA HIS A 63 9.497 -12.064 3.399 1.00 0.85 C ATOM 1008 C HIS A 63 9.894 -10.663 3.839 1.00 0.92 C ATOM 1009 O HIS A 63 9.850 -10.353 5.029 1.00 1.22 O ATOM 1010 CB HIS A 63 8.131 -12.042 2.725 1.00 0.96 C ATOM 1011 CG HIS A 63 8.220 -12.105 1.242 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.769 -11.112 0.404 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.739 -13.059 0.452 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.021 -11.452 -0.845 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.610 -12.632 -0.843 1.00 3.37 N ATOM 0 H HIS A 63 8.753 -12.688 5.239 1.00 0.90 H new ATOM 0 HA HIS A 63 10.244 -12.422 2.691 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.539 -12.884 3.085 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.602 -11.134 3.015 1.00 0.96 H new ATOM 0 HD1 HIS A 63 7.312 -10.250 0.701 1.00 2.82 H new ATOM 0 HD2 HIS A 63 9.177 -13.991 0.778 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.785 -10.864 -1.720 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.919 -13.143 -1.670 1.00 3.37 H new ATOM 1024 N THR A 64 10.302 -9.837 2.883 1.00 0.97 N ATOM 1025 CA THR A 64 10.619 -8.442 3.151 1.00 1.01 C ATOM 1026 C THR A 64 9.446 -7.777 3.873 1.00 1.50 C ATOM 1027 O THR A 64 8.383 -7.578 3.286 1.00 2.27 O ATOM 1028 CB THR A 64 10.907 -7.702 1.830 1.00 1.03 C ATOM 1029 OG1 THR A 64 11.556 -8.596 0.910 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.802 -6.494 2.058 1.00 1.44 C ATOM 0 H THR A 64 10.421 -10.113 1.908 1.00 0.97 H new ATOM 0 HA THR A 64 11.505 -8.394 3.783 1.00 1.01 H new ATOM 0 HB THR A 64 9.957 -7.359 1.421 1.00 1.03 H new ATOM 0 HG1 THR A 64 11.737 -8.126 0.070 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.987 -5.993 1.108 1.00 1.44 H new ATOM 0 HG22 THR A 64 11.312 -5.802 2.743 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.750 -6.819 2.487 1.00 1.44 H new ATOM 1038 N PHE A 65 9.631 -7.460 5.149 1.00 1.66 N ATOM 1039 CA PHE A 65 8.522 -7.012 5.979 1.00 2.32 C ATOM 1040 C PHE A 65 8.389 -5.493 5.984 1.00 1.96 C ATOM 1041 O PHE A 65 9.365 -4.766 6.163 1.00 2.43 O ATOM 1042 CB PHE A 65 8.657 -7.551 7.413 1.00 3.26 C ATOM 1043 CG PHE A 65 9.842 -7.025 8.179 1.00 4.27 C ATOM 1044 CD1 PHE A 65 11.112 -7.530 7.944 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.688 -6.024 9.127 1.00 4.69 C ATOM 1046 CE1 PHE A 65 12.203 -7.048 8.640 1.00 6.10 C ATOM 1047 CE2 PHE A 65 10.777 -5.539 9.826 1.00 5.77 C ATOM 1048 CZ PHE A 65 12.024 -6.052 9.600 1.00 6.48 C ATOM 0 H PHE A 65 10.531 -7.505 5.627 1.00 1.66 H new ATOM 0 HA PHE A 65 7.609 -7.417 5.541 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.749 -7.307 7.964 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.723 -8.638 7.372 1.00 3.26 H new ATOM 0 HD1 PHE A 65 11.249 -8.309 7.209 1.00 4.99 H new ATOM 0 HD2 PHE A 65 8.706 -5.619 9.321 1.00 4.69 H new ATOM 0 HE1 PHE A 65 13.190 -7.440 8.442 1.00 6.10 H new ATOM 0 HE2 PHE A 65 10.643 -4.752 10.553 1.00 5.77 H new ATOM 0 HZ PHE A 65 12.869 -5.687 10.164 1.00 6.48 H new ATOM 1058 N GLY A 66 7.169 -5.030 5.747 1.00 1.23 N ATOM 1059 CA GLY A 66 6.871 -3.618 5.833 1.00 0.93 C ATOM 1060 C GLY A 66 6.547 -3.226 7.253 1.00 0.80 C ATOM 1061 O GLY A 66 6.132 -4.073 8.045 1.00 0.96 O ATOM 0 H GLY A 66 6.374 -5.617 5.494 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.723 -3.039 5.476 1.00 0.93 H new ATOM 0 HA3 GLY A 66 6.029 -3.379 5.184 1.00 0.93 H new ATOM 1065 N LEU A 67 6.701 -1.958 7.573 1.00 0.64 N ATOM 1066 CA LEU A 67 6.610 -1.523 8.958 1.00 0.65 C ATOM 1067 C LEU A 67 5.431 -0.584 9.165 1.00 0.51 C ATOM 1068 O LEU A 67 5.510 0.603 8.859 1.00 0.54 O ATOM 1069 CB LEU A 67 7.921 -0.851 9.411 1.00 0.76 C ATOM 1070 CG LEU A 67 8.389 0.363 8.596 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.298 1.246 9.437 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.123 -0.083 7.342 1.00 1.14 C ATOM 0 H LEU A 67 6.888 -1.213 6.902 1.00 0.64 H new ATOM 0 HA LEU A 67 6.448 -2.409 9.572 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.803 -0.540 10.449 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.712 -1.600 9.391 1.00 0.76 H new ATOM 0 HG LEU A 67 7.509 0.935 8.302 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.622 2.103 8.846 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.755 1.596 10.315 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.170 0.674 9.754 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.446 0.792 6.779 1.00 1.14 H new ATOM 0 HD22 LEU A 67 9.994 -0.676 7.622 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.456 -0.685 6.725 1.00 1.14 H new ATOM 1084 N ILE A 68 4.328 -1.106 9.678 1.00 0.43 N ATOM 1085 CA ILE A 68 3.176 -0.264 9.930 1.00 0.38 C ATOM 1086 C ILE A 68 3.374 0.511 11.224 1.00 0.45 C ATOM 1087 O ILE A 68 3.514 -0.064 12.302 1.00 0.61 O ATOM 1088 CB ILE A 68 1.850 -1.046 9.998 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.679 -1.940 8.770 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.688 -0.068 10.095 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.400 -2.753 8.791 1.00 0.44 C ATOM 0 H ILE A 68 4.209 -2.089 9.923 1.00 0.43 H new ATOM 0 HA ILE A 68 3.100 0.417 9.082 1.00 0.38 H new ATOM 0 HB ILE A 68 1.867 -1.684 10.882 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.692 -1.320 7.874 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.530 -2.617 8.701 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.250 -0.621 10.143 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.798 0.539 10.993 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.683 0.579 9.218 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.343 -3.365 7.891 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.394 -3.399 9.669 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.458 -2.081 8.828 1.00 0.44 H new ATOM 1103 N ARG A 69 3.388 1.819 11.088 1.00 0.43 N ATOM 1104 CA ARG A 69 3.633 2.728 12.191 1.00 0.55 C ATOM 1105 C ARG A 69 2.325 3.017 12.924 1.00 0.51 C ATOM 1106 O ARG A 69 2.319 3.394 14.096 1.00 0.67 O ATOM 1107 CB ARG A 69 4.205 4.037 11.638 1.00 0.70 C ATOM 1108 CG ARG A 69 5.105 3.849 10.421 1.00 1.19 C ATOM 1109 CD ARG A 69 6.521 3.455 10.801 1.00 0.74 C ATOM 1110 NE ARG A 69 7.267 4.598 11.322 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.224 4.523 12.243 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.502 3.368 12.837 1.00 2.00 N ATOM 1113 NH2 ARG A 69 8.887 5.616 12.598 1.00 1.83 N ATOM 0 H ARG A 69 3.228 2.289 10.197 1.00 0.43 H new ATOM 0 HA ARG A 69 4.340 2.276 12.887 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.381 4.698 11.370 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.772 4.536 12.424 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.679 3.083 9.773 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.131 4.774 9.846 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.492 2.664 11.551 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.034 3.049 9.929 1.00 0.74 H new ATOM 0 HE ARG A 69 7.037 5.521 10.953 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.980 2.528 12.588 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.238 3.321 13.542 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.663 6.512 12.165 1.00 1.83 H new ATOM 0 HH22 ARG A 69 9.621 5.560 13.304 1.00 1.83 H new ATOM 1127 N LYS A 70 1.213 2.836 12.215 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.097 3.186 12.743 1.00 0.41 C ATOM 1129 C LYS A 70 -1.202 2.393 12.052 1.00 0.35 C ATOM 1130 O LYS A 70 -1.527 2.652 10.894 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.336 4.688 12.551 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.716 5.175 12.964 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.880 6.652 12.638 1.00 0.99 C ATOM 1134 CE LYS A 70 -3.230 7.198 13.074 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.381 7.219 14.552 1.00 1.53 N ATOM 0 H LYS A 70 1.197 2.448 11.272 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.120 2.938 13.804 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.413 5.236 13.123 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.179 4.935 11.501 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.482 4.596 12.448 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.860 5.014 14.032 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.087 7.219 13.127 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.762 6.799 11.564 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -3.353 8.208 12.684 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -4.023 6.590 12.639 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -4.273 7.692 14.803 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.392 6.244 14.914 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.584 7.736 14.975 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.747 1.407 12.754 1.00 0.35 N ATOM 1150 CA VAL A 71 -2.951 0.717 12.298 1.00 0.36 C ATOM 1151 C VAL A 71 -4.153 1.301 13.028 1.00 0.37 C ATOM 1152 O VAL A 71 -4.474 0.880 14.142 1.00 0.47 O ATOM 1153 CB VAL A 71 -2.911 -0.812 12.562 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.162 -1.484 12.013 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.669 -1.453 11.964 1.00 0.77 C ATOM 0 H VAL A 71 -1.376 1.066 13.641 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.019 0.862 11.220 1.00 0.36 H new ATOM 0 HB VAL A 71 -2.875 -0.955 13.642 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.115 -2.555 12.208 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.043 -1.065 12.499 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.225 -1.313 10.938 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.677 -2.523 12.170 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.659 -1.291 10.886 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.779 -1.005 12.407 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.799 2.288 12.432 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.901 2.961 13.102 1.00 0.36 C ATOM 1167 C ASP A 72 -7.211 2.754 12.369 1.00 0.35 C ATOM 1168 O ASP A 72 -7.699 3.673 11.706 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.620 4.453 13.252 1.00 0.41 C ATOM 1170 CG ASP A 72 -5.482 4.867 14.700 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -6.493 5.284 15.310 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -4.365 4.767 15.247 1.00 1.42 O ATOM 0 H ASP A 72 -4.585 2.639 11.498 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.991 2.517 14.093 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.705 4.704 12.716 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.427 5.021 12.789 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.740 1.523 12.481 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.072 1.141 11.974 1.00 0.39 C ATOM 1179 C GLU A 73 -9.308 1.601 10.523 1.00 0.38 C ATOM 1180 O GLU A 73 -8.376 2.038 9.846 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.167 1.672 12.927 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.295 3.188 12.993 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.318 3.634 14.015 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.049 3.511 15.228 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.388 4.137 13.609 1.00 0.92 O ATOM 0 H GLU A 73 -7.247 0.753 12.933 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.122 0.052 11.952 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.126 1.256 12.619 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.965 1.297 13.930 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.326 3.622 13.239 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.575 3.570 12.011 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.530 1.423 9.975 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.913 2.087 8.732 1.00 0.32 C ATOM 1194 C PRO A 74 -10.910 3.603 8.900 1.00 0.31 C ATOM 1195 O PRO A 74 -11.946 4.210 9.167 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.329 1.575 8.449 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.459 0.327 9.251 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.593 0.523 10.462 1.00 0.38 C ATOM 0 HA PRO A 74 -10.221 1.872 7.918 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.079 2.310 8.740 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.472 1.377 7.387 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.496 0.153 9.537 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.136 -0.542 8.677 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.150 0.967 11.287 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.186 -0.422 10.823 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.724 4.187 8.788 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.530 5.620 8.965 1.00 0.31 C ATOM 1208 C ASP A 75 -8.144 6.035 8.483 1.00 0.30 C ATOM 1209 O ASP A 75 -8.017 6.738 7.478 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.718 6.016 10.434 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.329 7.456 10.716 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.219 7.691 11.240 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.131 8.364 10.405 1.00 0.50 O ATOM 0 H ASP A 75 -8.867 3.678 8.571 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.279 6.140 8.368 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.761 5.866 10.714 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.121 5.355 11.062 1.00 0.34 H new ATOM 1218 N THR A 76 -7.104 5.584 9.180 1.00 0.28 N ATOM 1219 CA THR A 76 -5.743 5.973 8.833 1.00 0.29 C ATOM 1220 C THR A 76 -4.751 4.828 8.998 1.00 0.29 C ATOM 1221 O THR A 76 -4.839 4.037 9.940 1.00 0.35 O ATOM 1222 CB THR A 76 -5.267 7.179 9.669 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.701 7.043 11.027 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.786 8.482 9.086 1.00 0.35 C ATOM 0 H THR A 76 -7.177 4.955 9.980 1.00 0.28 H new ATOM 0 HA THR A 76 -5.773 6.253 7.780 1.00 0.29 H new ATOM 0 HB THR A 76 -4.178 7.201 9.643 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.514 7.573 11.165 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.437 9.317 9.693 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.418 8.596 8.066 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.876 8.469 9.080 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.809 4.744 8.065 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.756 3.739 8.120 1.00 0.31 C ATOM 1234 C LEU A 77 -1.423 4.377 7.768 1.00 0.33 C ATOM 1235 O LEU A 77 -1.215 4.809 6.638 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.012 2.583 7.138 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.410 1.959 7.158 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.376 2.788 6.335 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.359 0.539 6.629 1.00 0.69 C ATOM 0 H LEU A 77 -3.754 5.364 7.257 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.743 3.339 9.134 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.815 2.944 6.129 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.286 1.796 7.342 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.763 1.939 8.189 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.364 2.328 6.362 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.433 3.796 6.747 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -5.026 2.837 5.304 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.360 0.107 6.649 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.987 0.546 5.605 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.694 -0.058 7.253 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.528 4.454 8.728 1.00 0.32 N ATOM 1252 CA VAL A 78 0.811 4.956 8.464 1.00 0.36 C ATOM 1253 C VAL A 78 1.773 3.785 8.395 1.00 0.34 C ATOM 1254 O VAL A 78 2.011 3.129 9.397 1.00 0.36 O ATOM 1255 CB VAL A 78 1.283 5.942 9.551 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.629 6.541 9.183 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.251 7.037 9.768 1.00 0.67 C ATOM 0 H VAL A 78 -0.697 4.178 9.695 1.00 0.32 H new ATOM 0 HA VAL A 78 0.789 5.494 7.516 1.00 0.36 H new ATOM 0 HB VAL A 78 1.397 5.391 10.484 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.944 7.234 9.963 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.367 5.745 9.085 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.543 7.075 8.236 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.604 7.722 10.539 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.100 7.584 8.838 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.692 6.591 10.083 1.00 0.67 H new ATOM 1267 N ILE A 79 2.277 3.484 7.212 1.00 0.35 N ATOM 1268 CA ILE A 79 3.154 2.333 7.037 1.00 0.39 C ATOM 1269 C ILE A 79 4.440 2.701 6.286 1.00 0.40 C ATOM 1270 O ILE A 79 4.418 3.497 5.346 1.00 0.43 O ATOM 1271 CB ILE A 79 2.383 1.158 6.365 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.324 0.050 5.857 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.478 1.668 5.256 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.740 0.188 4.404 1.00 0.67 C ATOM 0 H ILE A 79 2.097 4.015 6.360 1.00 0.35 H new ATOM 0 HA ILE A 79 3.472 1.994 8.023 1.00 0.39 H new ATOM 0 HB ILE A 79 1.758 0.705 7.134 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.220 0.040 6.478 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.833 -0.914 5.990 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.950 0.829 4.802 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.755 2.370 5.671 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.079 2.171 4.499 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.401 -0.636 4.135 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.855 0.165 3.768 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.263 1.134 4.264 1.00 0.67 H new ATOM 1286 N GLY A 80 5.563 2.152 6.753 1.00 0.42 N ATOM 1287 CA GLY A 80 6.843 2.358 6.096 1.00 0.46 C ATOM 1288 C GLY A 80 7.127 1.319 5.017 1.00 0.46 C ATOM 1289 O GLY A 80 6.711 0.160 5.129 1.00 0.50 O ATOM 0 H GLY A 80 5.606 1.562 7.584 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.862 3.353 5.650 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.638 2.328 6.841 1.00 0.46 H new ATOM 1293 N TRP A 81 7.896 1.730 4.012 1.00 0.50 N ATOM 1294 CA TRP A 81 8.069 0.973 2.777 1.00 0.51 C ATOM 1295 C TRP A 81 9.230 -0.013 2.879 1.00 0.53 C ATOM 1296 O TRP A 81 10.217 0.246 3.569 1.00 0.81 O ATOM 1297 CB TRP A 81 8.317 1.966 1.639 1.00 0.74 C ATOM 1298 CG TRP A 81 8.280 1.370 0.267 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.315 1.273 -0.616 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.143 0.805 -0.378 1.00 1.40 C ATOM 1301 NE1 TRP A 81 8.890 0.678 -1.779 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.555 0.382 -1.656 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.813 0.616 0.003 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 6.680 -0.218 -2.551 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 4.946 0.021 -0.887 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.381 -0.389 -2.150 1.00 2.79 C ATOM 0 H TRP A 81 8.420 2.605 4.033 1.00 0.50 H new ATOM 0 HA TRP A 81 7.169 0.389 2.587 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.569 2.757 1.697 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.289 2.435 1.790 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.322 1.614 -0.428 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.469 0.488 -2.597 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.470 0.931 0.978 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.011 -0.538 -3.528 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 3.915 -0.131 -0.604 1.00 2.78 H new ATOM 0 HH2 TRP A 81 4.677 -0.851 -2.826 1.00 2.79 H new ATOM 1317 N ARG A 82 9.109 -1.133 2.168 1.00 0.54 N ATOM 1318 CA ARG A 82 10.135 -2.161 2.175 1.00 0.74 C ATOM 1319 C ARG A 82 10.276 -2.784 0.781 1.00 0.81 C ATOM 1320 O ARG A 82 10.759 -3.907 0.635 1.00 1.47 O ATOM 1321 CB ARG A 82 9.815 -3.222 3.247 1.00 1.06 C ATOM 1322 CG ARG A 82 9.011 -4.440 2.784 1.00 1.64 C ATOM 1323 CD ARG A 82 7.589 -4.115 2.350 1.00 2.68 C ATOM 1324 NE ARG A 82 6.724 -5.291 2.480 1.00 3.63 N ATOM 1325 CZ ARG A 82 6.057 -5.875 1.480 1.00 4.53 C ATOM 1326 NH1 ARG A 82 6.165 -5.429 0.235 1.00 4.80 N ATOM 1327 NH2 ARG A 82 5.304 -6.935 1.736 1.00 5.46 N ATOM 0 H ARG A 82 8.304 -1.347 1.579 1.00 0.54 H new ATOM 0 HA ARG A 82 11.094 -1.710 2.430 1.00 0.74 H new ATOM 0 HB2 ARG A 82 10.756 -3.575 3.669 1.00 1.06 H new ATOM 0 HB3 ARG A 82 9.265 -2.737 4.054 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.534 -4.913 1.953 1.00 1.64 H new ATOM 0 HG3 ARG A 82 8.975 -5.168 3.594 1.00 1.64 H new ATOM 0 HD2 ARG A 82 7.196 -3.300 2.957 1.00 2.68 H new ATOM 0 HD3 ARG A 82 7.589 -3.771 1.316 1.00 2.68 H new ATOM 0 HE ARG A 82 6.623 -5.697 3.410 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.764 -4.629 0.030 1.00 4.80 H new ATOM 0 HH12 ARG A 82 5.649 -5.886 -0.517 1.00 4.80 H new ATOM 0 HH21 ARG A 82 5.238 -7.296 2.688 1.00 5.46 H new ATOM 0 HH22 ARG A 82 4.790 -7.390 0.981 1.00 5.46 H new ATOM 1341 N LEU A 83 9.856 -2.014 -0.233 1.00 0.79 N ATOM 1342 CA LEU A 83 9.964 -2.403 -1.647 1.00 0.86 C ATOM 1343 C LEU A 83 8.772 -3.277 -2.073 1.00 0.81 C ATOM 1344 O LEU A 83 8.148 -3.943 -1.247 1.00 1.21 O ATOM 1345 CB LEU A 83 11.320 -3.086 -1.914 1.00 1.23 C ATOM 1346 CG LEU A 83 11.793 -3.143 -3.365 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.241 -4.362 -4.077 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.422 -1.861 -4.099 1.00 1.28 C ATOM 0 H LEU A 83 9.429 -1.098 -0.095 1.00 0.79 H new ATOM 0 HA LEU A 83 9.926 -1.504 -2.263 1.00 0.86 H new ATOM 0 HB2 LEU A 83 12.081 -2.569 -1.330 1.00 1.23 H new ATOM 0 HB3 LEU A 83 11.266 -4.106 -1.535 1.00 1.23 H new ATOM 0 HG LEU A 83 12.879 -3.232 -3.363 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.596 -4.373 -5.107 1.00 1.55 H new ATOM 0 HD12 LEU A 83 11.578 -5.265 -3.567 1.00 1.55 H new ATOM 0 HD13 LEU A 83 10.152 -4.326 -4.069 1.00 1.55 H new ATOM 0 HD21 LEU A 83 11.767 -1.920 -5.131 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.340 -1.734 -4.085 1.00 1.28 H new ATOM 0 HD23 LEU A 83 11.894 -1.010 -3.607 1.00 1.28 H new ATOM 1360 N ASN A 84 8.443 -3.229 -3.368 1.00 0.76 N ATOM 1361 CA ASN A 84 7.272 -3.923 -3.913 1.00 1.00 C ATOM 1362 C ASN A 84 7.627 -4.721 -5.171 1.00 1.25 C ATOM 1363 O ASN A 84 7.021 -5.753 -5.457 1.00 1.93 O ATOM 1364 CB ASN A 84 6.189 -2.897 -4.260 1.00 1.26 C ATOM 1365 CG ASN A 84 4.928 -3.508 -4.839 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.526 -4.603 -4.469 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.300 -2.799 -5.765 1.00 0.94 N ATOM 0 H ASN A 84 8.978 -2.711 -4.065 1.00 0.76 H new ATOM 0 HA ASN A 84 6.910 -4.619 -3.156 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.930 -2.338 -3.361 1.00 1.26 H new ATOM 0 HB3 ASN A 84 6.596 -2.181 -4.975 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.450 -3.162 -6.196 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.666 -1.890 -6.047 1.00 0.94 H new ATOM 1374 N GLY A 85 8.619 -4.242 -5.916 1.00 1.69 N ATOM 1375 CA GLY A 85 8.955 -4.837 -7.201 1.00 2.21 C ATOM 1376 C GLY A 85 9.770 -6.115 -7.091 1.00 1.96 C ATOM 1377 O GLY A 85 10.767 -6.270 -7.795 1.00 2.40 O ATOM 0 H GLY A 85 9.201 -3.447 -5.652 1.00 1.69 H new ATOM 0 HA2 GLY A 85 8.034 -5.050 -7.744 1.00 2.21 H new ATOM 0 HA3 GLY A 85 9.513 -4.111 -7.792 1.00 2.21 H new ATOM 1381 N PHE A 86 9.344 -7.006 -6.198 1.00 1.79 N ATOM 1382 CA PHE A 86 9.931 -8.339 -6.033 1.00 2.29 C ATOM 1383 C PHE A 86 11.426 -8.279 -5.693 1.00 2.14 C ATOM 1384 O PHE A 86 11.799 -8.277 -4.520 1.00 2.77 O ATOM 1385 CB PHE A 86 9.684 -9.194 -7.287 1.00 3.16 C ATOM 1386 CG PHE A 86 10.013 -10.651 -7.109 1.00 3.79 C ATOM 1387 CD1 PHE A 86 9.163 -11.486 -6.400 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.167 -11.188 -7.658 1.00 4.03 C ATOM 1389 CE1 PHE A 86 9.459 -12.827 -6.241 1.00 5.26 C ATOM 1390 CE2 PHE A 86 11.468 -12.525 -7.500 1.00 4.80 C ATOM 1391 CZ PHE A 86 10.614 -13.347 -6.792 1.00 5.38 C ATOM 0 H PHE A 86 8.571 -6.822 -5.559 1.00 1.79 H new ATOM 0 HA PHE A 86 9.435 -8.810 -5.185 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.637 -9.101 -7.577 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.279 -8.796 -8.109 1.00 3.16 H new ATOM 0 HD1 PHE A 86 8.259 -11.084 -5.967 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.838 -10.552 -8.216 1.00 4.03 H new ATOM 0 HE1 PHE A 86 8.788 -13.467 -5.687 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.372 -12.929 -7.930 1.00 4.80 H new ATOM 0 HZ PHE A 86 10.848 -14.394 -6.669 1.00 5.38 H new ATOM 1401 N GLY A 87 12.274 -8.196 -6.716 1.00 1.90 N ATOM 1402 CA GLY A 87 13.707 -8.230 -6.502 1.00 2.08 C ATOM 1403 C GLY A 87 14.343 -6.869 -6.682 1.00 1.87 C ATOM 1404 O GLY A 87 15.425 -6.743 -7.259 1.00 2.30 O ATOM 0 H GLY A 87 11.990 -8.106 -7.692 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.914 -8.596 -5.496 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.160 -8.936 -7.198 1.00 2.08 H new ATOM 1408 N ARG A 88 13.652 -5.845 -6.211 1.00 1.33 N ATOM 1409 CA ARG A 88 14.145 -4.489 -6.274 1.00 1.18 C ATOM 1410 C ARG A 88 14.784 -4.110 -4.939 1.00 1.09 C ATOM 1411 O ARG A 88 14.860 -4.936 -4.030 1.00 1.21 O ATOM 1412 CB ARG A 88 12.990 -3.553 -6.607 1.00 0.98 C ATOM 1413 CG ARG A 88 13.402 -2.363 -7.425 1.00 1.64 C ATOM 1414 CD ARG A 88 13.979 -2.820 -8.748 1.00 2.32 C ATOM 1415 NE ARG A 88 13.000 -3.516 -9.581 1.00 3.00 N ATOM 1416 CZ ARG A 88 13.309 -4.524 -10.398 1.00 3.96 C ATOM 1417 NH1 ARG A 88 14.544 -5.006 -10.418 1.00 4.44 N ATOM 1418 NH2 ARG A 88 12.377 -5.063 -11.177 1.00 4.77 N ATOM 0 H ARG A 88 12.734 -5.935 -5.775 1.00 1.33 H new ATOM 0 HA ARG A 88 14.904 -4.404 -7.052 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.226 -4.110 -7.149 1.00 0.98 H new ATOM 0 HB3 ARG A 88 12.534 -3.207 -5.679 1.00 0.98 H new ATOM 0 HG2 ARG A 88 12.543 -1.715 -7.598 1.00 1.64 H new ATOM 0 HG3 ARG A 88 14.141 -1.775 -6.880 1.00 1.64 H new ATOM 0 HD2 ARG A 88 14.362 -1.956 -9.290 1.00 2.32 H new ATOM 0 HD3 ARG A 88 14.826 -3.480 -8.561 1.00 2.32 H new ATOM 0 HE ARG A 88 12.027 -3.214 -9.535 1.00 3.00 H new ATOM 0 HH11 ARG A 88 15.258 -4.606 -9.809 1.00 4.44 H new ATOM 0 HH12 ARG A 88 14.781 -5.777 -11.043 1.00 4.44 H new ATOM 0 HH21 ARG A 88 11.422 -4.706 -11.151 1.00 4.77 H new ATOM 0 HH22 ARG A 88 12.617 -5.834 -11.801 1.00 4.77 H new ATOM 1432 N ILE A 89 15.226 -2.866 -4.812 1.00 1.08 N ATOM 1433 CA ILE A 89 15.929 -2.433 -3.614 1.00 1.08 C ATOM 1434 C ILE A 89 14.953 -1.797 -2.621 1.00 1.04 C ATOM 1435 O ILE A 89 14.067 -1.030 -3.005 1.00 1.15 O ATOM 1436 CB ILE A 89 17.092 -1.460 -3.971 1.00 1.29 C ATOM 1437 CG1 ILE A 89 16.660 0.011 -3.937 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.637 -1.795 -5.353 1.00 1.11 C ATOM 1439 CD1 ILE A 89 16.821 0.671 -2.580 1.00 1.70 C ATOM 0 H ILE A 89 15.110 -2.142 -5.521 1.00 1.08 H new ATOM 0 HA ILE A 89 16.370 -3.309 -3.138 1.00 1.08 H new ATOM 0 HB ILE A 89 17.865 -1.592 -3.214 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.243 0.567 -4.671 1.00 1.86 H new ATOM 0 HG13 ILE A 89 15.615 0.079 -4.241 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.450 -1.112 -5.599 1.00 1.11 H new ATOM 0 HG22 ILE A 89 18.009 -2.819 -5.359 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.842 -1.694 -6.092 1.00 1.11 H new ATOM 0 HD11 ILE A 89 16.494 1.709 -2.639 1.00 1.70 H new ATOM 0 HD12 ILE A 89 16.216 0.142 -1.844 1.00 1.70 H new ATOM 0 HD13 ILE A 89 17.869 0.637 -2.281 1.00 1.70 H new ATOM 1451 N ASP A 90 15.111 -2.136 -1.352 1.00 1.05 N ATOM 1452 CA ASP A 90 14.250 -1.612 -0.299 1.00 1.15 C ATOM 1453 C ASP A 90 14.882 -0.397 0.388 1.00 1.01 C ATOM 1454 O ASP A 90 16.083 -0.375 0.656 1.00 1.14 O ATOM 1455 CB ASP A 90 13.926 -2.723 0.715 1.00 1.54 C ATOM 1456 CG ASP A 90 14.018 -2.273 2.161 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.973 -2.673 2.859 1.00 2.64 O ATOM 1458 OD2 ASP A 90 13.130 -1.510 2.601 1.00 3.18 O ATOM 0 H ASP A 90 15.833 -2.777 -1.022 1.00 1.05 H new ATOM 0 HA ASP A 90 13.318 -1.273 -0.752 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.920 -3.096 0.523 1.00 1.54 H new ATOM 0 HB3 ASP A 90 14.611 -3.557 0.559 1.00 1.54 H new ATOM 1463 N PRO A 91 14.061 0.640 0.654 1.00 1.32 N ATOM 1464 CA PRO A 91 14.488 1.886 1.324 1.00 1.52 C ATOM 1465 C PRO A 91 15.101 1.665 2.699 1.00 1.24 C ATOM 1466 O PRO A 91 15.814 2.529 3.217 1.00 1.58 O ATOM 1467 CB PRO A 91 13.182 2.661 1.490 1.00 2.16 C ATOM 1468 CG PRO A 91 12.293 2.136 0.426 1.00 2.36 C ATOM 1469 CD PRO A 91 12.639 0.683 0.286 1.00 1.92 C ATOM 0 HA PRO A 91 15.261 2.388 0.741 1.00 1.52 H new ATOM 0 HB2 PRO A 91 12.751 2.503 2.479 1.00 2.16 H new ATOM 0 HB3 PRO A 91 13.341 3.734 1.379 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.244 2.264 0.694 1.00 2.36 H new ATOM 0 HG3 PRO A 91 12.450 2.668 -0.513 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.034 0.060 0.944 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.475 0.326 -0.731 1.00 1.92 H new ATOM 1477 N ASP A 92 14.775 0.523 3.290 1.00 1.06 N ATOM 1478 CA ASP A 92 15.250 0.138 4.615 1.00 1.34 C ATOM 1479 C ASP A 92 14.476 0.882 5.700 1.00 1.18 C ATOM 1480 O ASP A 92 15.045 1.381 6.673 1.00 1.61 O ATOM 1481 CB ASP A 92 16.765 0.331 4.768 1.00 1.93 C ATOM 1482 CG ASP A 92 17.301 -0.299 6.041 1.00 2.60 C ATOM 1483 OD1 ASP A 92 17.222 -1.541 6.179 1.00 2.98 O ATOM 1484 OD2 ASP A 92 17.809 0.442 6.911 1.00 2.99 O ATOM 0 H ASP A 92 14.166 -0.172 2.858 1.00 1.06 H new ATOM 0 HA ASP A 92 15.062 -0.929 4.734 1.00 1.34 H new ATOM 0 HB2 ASP A 92 17.273 -0.105 3.908 1.00 1.93 H new ATOM 0 HB3 ASP A 92 16.995 1.396 4.768 1.00 1.93 H new ATOM 1489 N ASN A 93 13.166 0.994 5.482 1.00 1.06 N ATOM 1490 CA ASN A 93 12.213 1.252 6.566 1.00 1.26 C ATOM 1491 C ASN A 93 12.154 2.723 6.965 1.00 1.04 C ATOM 1492 O ASN A 93 11.985 3.047 8.141 1.00 1.49 O ATOM 1493 CB ASN A 93 12.558 0.387 7.795 1.00 1.65 C ATOM 1494 CG ASN A 93 12.313 -1.106 7.587 1.00 2.22 C ATOM 1495 OD1 ASN A 93 12.401 -1.573 6.349 1.00 3.06 O flip ATOM 1496 ND2 ASN A 93 12.050 -1.834 8.544 1.00 2.21 N flip ATOM 0 H ASN A 93 12.737 0.910 4.560 1.00 1.06 H new ATOM 0 HA ASN A 93 11.226 0.983 6.189 1.00 1.26 H new ATOM 0 HB2 ASN A 93 13.606 0.541 8.053 1.00 1.65 H new ATOM 0 HB3 ASN A 93 11.967 0.728 8.645 1.00 1.65 H new ATOM 0 HD21 ASN A 93 11.990 -1.440 9.483 1.00 2.21 H new ATOM 0 HD22 ASN A 93 11.892 -2.831 8.398 1.00 2.21 H new ATOM 1503 N SER A 94 12.271 3.615 5.996 1.00 0.68 N ATOM 1504 CA SER A 94 12.115 5.038 6.270 1.00 0.77 C ATOM 1505 C SER A 94 11.020 5.655 5.422 1.00 0.72 C ATOM 1506 O SER A 94 10.320 6.562 5.865 1.00 1.22 O ATOM 1507 CB SER A 94 13.407 5.774 6.005 1.00 1.19 C ATOM 1508 OG SER A 94 13.878 5.526 4.691 1.00 1.85 O ATOM 0 H SER A 94 12.471 3.386 5.022 1.00 0.68 H new ATOM 0 HA SER A 94 11.841 5.131 7.321 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.254 6.844 6.143 1.00 1.19 H new ATOM 0 HB3 SER A 94 14.160 5.464 6.729 1.00 1.19 H new ATOM 0 HG SER A 94 14.714 6.016 4.545 1.00 1.85 H new ATOM 1514 N SER A 95 10.929 5.194 4.184 1.00 0.60 N ATOM 1515 CA SER A 95 9.889 5.627 3.260 1.00 0.67 C ATOM 1516 C SER A 95 8.521 5.382 3.890 1.00 0.70 C ATOM 1517 O SER A 95 8.000 4.283 3.847 1.00 1.27 O ATOM 1518 CB SER A 95 10.042 4.867 1.933 1.00 0.93 C ATOM 1519 OG SER A 95 9.189 5.371 0.921 1.00 1.44 O ATOM 0 H SER A 95 11.574 4.509 3.790 1.00 0.60 H new ATOM 0 HA SER A 95 9.982 6.693 3.054 1.00 0.67 H new ATOM 0 HB2 SER A 95 11.077 4.932 1.598 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.825 3.811 2.095 1.00 0.93 H new ATOM 0 HG SER A 95 9.439 6.296 0.713 1.00 1.44 H new ATOM 1525 N GLU A 96 7.960 6.416 4.486 1.00 0.48 N ATOM 1526 CA GLU A 96 6.777 6.277 5.317 1.00 0.45 C ATOM 1527 C GLU A 96 5.646 7.159 4.796 1.00 0.45 C ATOM 1528 O GLU A 96 5.878 8.296 4.385 1.00 0.60 O ATOM 1529 CB GLU A 96 7.152 6.636 6.761 1.00 0.56 C ATOM 1530 CG GLU A 96 5.970 6.994 7.646 1.00 1.11 C ATOM 1531 CD GLU A 96 6.392 7.537 8.994 1.00 1.30 C ATOM 1532 OE1 GLU A 96 6.641 8.754 9.105 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.489 6.747 9.954 1.00 1.33 O ATOM 0 H GLU A 96 8.308 7.372 4.410 1.00 0.48 H new ATOM 0 HA GLU A 96 6.417 5.249 5.286 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.682 5.794 7.206 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.846 7.476 6.745 1.00 0.56 H new ATOM 0 HG2 GLU A 96 5.352 7.735 7.138 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.351 6.109 7.793 1.00 1.11 H new ATOM 1540 N PHE A 97 4.434 6.621 4.762 1.00 0.39 N ATOM 1541 CA PHE A 97 3.288 7.379 4.281 1.00 0.40 C ATOM 1542 C PHE A 97 2.084 7.226 5.196 1.00 0.41 C ATOM 1543 O PHE A 97 1.804 6.141 5.707 1.00 0.53 O ATOM 1544 CB PHE A 97 2.916 6.986 2.842 1.00 0.51 C ATOM 1545 CG PHE A 97 2.828 5.505 2.587 1.00 0.42 C ATOM 1546 CD1 PHE A 97 3.967 4.752 2.351 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.600 4.865 2.606 1.00 0.50 C ATOM 1548 CE1 PHE A 97 3.876 3.388 2.140 1.00 0.53 C ATOM 1549 CE2 PHE A 97 1.502 3.509 2.392 1.00 0.64 C ATOM 1550 CZ PHE A 97 2.690 2.778 2.072 1.00 0.63 C ATOM 0 H PHE A 97 4.220 5.669 5.060 1.00 0.39 H new ATOM 0 HA PHE A 97 3.583 8.428 4.285 1.00 0.40 H new ATOM 0 HB2 PHE A 97 1.956 7.439 2.595 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.654 7.413 2.163 1.00 0.51 H new ATOM 0 HD1 PHE A 97 4.933 5.234 2.332 1.00 0.46 H new ATOM 0 HD2 PHE A 97 0.705 5.439 2.792 1.00 0.50 H new ATOM 0 HE1 PHE A 97 4.779 2.807 2.028 1.00 0.53 H new ATOM 0 HE2 PHE A 97 0.548 3.007 2.464 1.00 0.64 H new ATOM 0 HZ PHE A 97 2.628 1.741 1.778 1.00 0.63 H new ATOM 1560 N THR A 98 1.391 8.336 5.404 1.00 0.35 N ATOM 1561 CA THR A 98 0.175 8.355 6.194 1.00 0.36 C ATOM 1562 C THR A 98 -1.045 8.273 5.282 1.00 0.33 C ATOM 1563 O THR A 98 -1.349 9.216 4.550 1.00 0.36 O ATOM 1564 CB THR A 98 0.095 9.640 7.043 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.257 9.739 7.877 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.158 9.656 7.908 1.00 0.40 C ATOM 0 H THR A 98 1.658 9.246 5.029 1.00 0.35 H new ATOM 0 HA THR A 98 0.190 7.493 6.860 1.00 0.36 H new ATOM 0 HB THR A 98 0.050 10.492 6.365 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.205 10.557 8.414 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.184 10.575 8.494 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.041 9.607 7.271 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.147 8.798 8.580 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.721 7.136 5.308 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.921 6.947 4.515 1.00 0.35 C ATOM 1576 C VAL A 99 -4.123 7.520 5.244 1.00 0.31 C ATOM 1577 O VAL A 99 -4.540 6.987 6.268 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.170 5.451 4.210 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.461 5.264 3.433 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.004 4.856 3.440 1.00 0.87 C ATOM 0 H VAL A 99 -1.457 6.328 5.872 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.778 7.470 3.570 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.261 4.927 5.162 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.614 4.204 3.231 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.297 5.646 4.019 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.400 5.808 2.490 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.201 3.803 3.237 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.879 5.390 2.498 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.093 4.947 4.032 1.00 0.87 H new ATOM 1590 N THR A 100 -4.662 8.615 4.731 1.00 0.31 N ATOM 1591 CA THR A 100 -5.831 9.231 5.332 1.00 0.30 C ATOM 1592 C THR A 100 -7.068 8.972 4.486 1.00 0.26 C ATOM 1593 O THR A 100 -7.223 9.547 3.413 1.00 0.28 O ATOM 1594 CB THR A 100 -5.640 10.751 5.496 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.400 11.016 6.163 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.790 11.357 6.290 1.00 0.36 C ATOM 0 H THR A 100 -4.309 9.093 3.902 1.00 0.31 H new ATOM 0 HA THR A 100 -5.963 8.784 6.317 1.00 0.30 H new ATOM 0 HB THR A 100 -5.625 11.205 4.505 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.283 11.984 6.263 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.634 12.431 6.394 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.729 11.175 5.767 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.831 10.899 7.278 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.937 8.096 4.959 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.174 7.808 4.258 1.00 0.24 C ATOM 1606 C PHE A 101 -10.272 8.774 4.693 1.00 0.25 C ATOM 1607 O PHE A 101 -10.676 8.782 5.858 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.627 6.370 4.524 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.852 5.308 3.795 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.825 5.277 2.410 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.134 4.354 4.495 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.095 4.312 1.740 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.406 3.384 3.829 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.451 3.323 2.444 1.00 0.29 C ATOM 0 H PHE A 101 -7.808 7.573 5.825 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.990 7.930 3.191 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.558 6.177 5.595 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.679 6.281 4.251 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.380 6.014 1.848 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.142 4.367 5.575 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.031 4.336 0.662 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.806 2.678 4.384 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.982 2.502 1.921 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.746 9.591 3.765 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.849 10.500 4.041 1.00 0.31 C ATOM 1626 C VAL A 102 -13.163 9.875 3.586 1.00 0.30 C ATOM 1627 O VAL A 102 -13.396 9.689 2.388 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.656 11.865 3.345 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.792 12.815 3.692 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.312 12.475 3.720 1.00 0.54 C ATOM 0 H VAL A 102 -10.384 9.644 2.813 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.873 10.673 5.117 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.668 11.700 2.268 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.634 13.770 3.190 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.739 12.385 3.365 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.819 12.972 4.770 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.196 13.436 3.219 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.267 12.621 4.799 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.509 11.805 3.410 1.00 0.54 H new ATOM 1640 N ALA A 103 -14.010 9.543 4.551 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.269 8.870 4.271 1.00 0.35 C ATOM 1642 C ALA A 103 -16.276 9.818 3.649 1.00 0.39 C ATOM 1643 O ALA A 103 -16.456 10.946 4.112 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.841 8.260 5.540 1.00 0.44 C ATOM 0 H ALA A 103 -13.846 9.731 5.540 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.066 8.074 3.555 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.783 7.761 5.311 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.135 7.535 5.945 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -16.016 9.046 6.275 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.920 9.351 2.596 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.984 10.093 1.955 1.00 0.57 C ATOM 1652 C ASP A 104 -19.255 9.255 1.963 1.00 0.64 C ATOM 1653 O ASP A 104 -19.250 8.087 1.568 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.597 10.484 0.527 1.00 0.58 C ATOM 1655 CG ASP A 104 -18.650 11.357 -0.127 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -18.581 12.594 0.011 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.549 10.802 -0.795 1.00 2.03 O ATOM 0 H ASP A 104 -16.720 8.449 2.164 1.00 0.48 H new ATOM 0 HA ASP A 104 -18.159 11.015 2.509 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.645 11.014 0.542 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.452 9.583 -0.069 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.331 9.863 2.434 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.590 9.157 2.646 1.00 0.83 C ATOM 1664 C GLY A 105 -22.205 8.540 1.397 1.00 1.06 C ATOM 1665 O GLY A 105 -23.121 7.727 1.504 1.00 1.97 O ATOM 0 H GLY A 105 -20.360 10.853 2.680 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.426 8.367 3.379 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -22.309 9.851 3.081 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.719 8.904 0.220 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.250 8.360 -1.030 1.00 2.07 C ATOM 1671 C GLN A 106 -21.610 7.014 -1.378 1.00 1.73 C ATOM 1672 O GLN A 106 -21.460 6.691 -2.559 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.011 9.349 -2.171 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.020 10.483 -2.223 1.00 3.83 C ATOM 1675 CD GLN A 106 -24.390 10.010 -2.668 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.225 9.617 -1.852 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -24.629 10.036 -3.968 1.00 4.93 N ATOM 0 H GLN A 106 -20.958 9.573 0.100 1.00 1.24 H new ATOM 0 HA GLN A 106 -23.320 8.201 -0.894 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -21.011 9.770 -2.070 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -22.036 8.810 -3.118 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.098 10.943 -1.238 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -22.664 11.253 -2.907 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -23.911 10.369 -4.612 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -25.531 9.723 -4.327 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.281 6.214 -0.353 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.520 4.976 -0.550 1.00 0.48 C ATOM 1688 C LYS A 107 -19.215 5.306 -1.251 1.00 0.38 C ATOM 1689 O LYS A 107 -18.803 4.640 -2.193 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.322 3.939 -1.348 1.00 0.72 C ATOM 1691 CG LYS A 107 -21.991 2.881 -0.478 1.00 1.55 C ATOM 1692 CD LYS A 107 -20.959 2.093 0.316 1.00 2.23 C ATOM 1693 CE LYS A 107 -21.585 0.967 1.127 1.00 2.95 C ATOM 1694 NZ LYS A 107 -22.100 -0.135 0.268 1.00 3.53 N ATOM 0 H LYS A 107 -21.530 6.403 0.618 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.311 4.533 0.424 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -22.086 4.454 -1.931 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -20.657 3.446 -2.058 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.693 3.358 0.205 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -22.568 2.202 -1.105 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -20.219 1.676 -0.368 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -20.428 2.768 0.987 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -20.845 0.568 1.820 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -22.402 1.367 1.728 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -22.439 -0.914 0.868 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -22.884 0.218 -0.317 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -21.337 -0.480 -0.348 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.572 6.346 -0.761 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.383 6.881 -1.387 1.00 0.29 C ATOM 1710 C LYS A 108 -16.326 7.131 -0.327 1.00 0.27 C ATOM 1711 O LYS A 108 -16.647 7.293 0.846 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.753 8.187 -2.095 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.633 8.835 -2.888 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.122 10.128 -3.519 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.045 10.823 -4.329 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.524 12.116 -4.882 1.00 2.44 N ATOM 0 H LYS A 108 -18.860 6.843 0.082 1.00 0.32 H new ATOM 0 HA LYS A 108 -16.983 6.175 -2.115 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.587 7.992 -2.769 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.106 8.898 -1.348 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.784 9.038 -2.235 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.283 8.153 -3.663 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.975 9.914 -4.163 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.474 10.800 -2.736 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -15.172 10.997 -3.700 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.727 10.174 -5.145 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -15.761 12.563 -5.430 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -17.342 11.947 -5.501 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -16.804 12.745 -4.102 1.00 2.44 H new ATOM 1730 N THR A 109 -15.072 7.125 -0.723 1.00 0.26 N ATOM 1731 CA THR A 109 -13.999 7.482 0.183 1.00 0.25 C ATOM 1732 C THR A 109 -12.794 7.989 -0.582 1.00 0.26 C ATOM 1733 O THR A 109 -12.184 7.261 -1.362 1.00 0.35 O ATOM 1734 CB THR A 109 -13.599 6.303 1.094 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.665 6.030 2.005 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.330 6.605 1.878 1.00 0.42 C ATOM 0 H THR A 109 -14.769 6.877 -1.665 1.00 0.26 H new ATOM 0 HA THR A 109 -14.371 8.283 0.822 1.00 0.25 H new ATOM 0 HB THR A 109 -13.406 5.436 0.462 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.351 6.725 1.923 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.080 5.752 2.508 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.511 6.797 1.185 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.489 7.484 2.503 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.485 9.256 -0.382 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.299 9.846 -0.964 1.00 0.27 C ATOM 1746 C ARG A 110 -10.135 9.724 0.009 1.00 0.26 C ATOM 1747 O ARG A 110 -10.158 10.306 1.090 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.542 11.316 -1.305 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.319 12.010 -1.877 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.967 11.487 -3.260 1.00 0.62 C ATOM 1751 NE ARG A 110 -10.884 11.993 -4.282 1.00 1.27 N ATOM 1752 CZ ARG A 110 -10.660 13.095 -4.999 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.531 13.776 -4.843 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -11.559 13.503 -5.887 1.00 2.59 N ATOM 0 H ARG A 110 -13.043 9.897 0.182 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.059 9.313 -1.884 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.359 11.385 -2.023 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.862 11.842 -0.406 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.502 13.083 -1.930 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.472 11.864 -1.207 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.947 11.779 -3.510 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.994 10.397 -3.254 1.00 0.62 H new ATOM 0 HE ARG A 110 -11.744 11.473 -4.456 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.831 13.457 -4.173 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -9.363 14.618 -5.393 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -12.421 12.974 -6.021 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -11.388 14.346 -6.436 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.136 8.947 -0.359 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.950 8.815 0.468 1.00 0.27 C ATOM 1770 C VAL A 111 -6.906 9.845 0.069 1.00 0.29 C ATOM 1771 O VAL A 111 -6.695 10.103 -1.121 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.326 7.409 0.372 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.908 7.113 -1.047 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.133 7.274 1.302 1.00 0.33 C ATOM 0 H VAL A 111 -9.120 8.400 -1.220 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.267 8.980 1.498 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.083 6.687 0.678 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.469 6.116 -1.097 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.779 7.159 -1.700 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.173 7.850 -1.371 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.714 6.272 1.213 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.376 8.010 1.031 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.452 7.443 2.330 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.266 10.422 1.069 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.208 11.391 0.863 1.00 0.37 C ATOM 1786 C ASP A 112 -3.975 10.964 1.654 1.00 0.37 C ATOM 1787 O ASP A 112 -3.974 10.959 2.885 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.698 12.775 1.289 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.706 13.881 0.996 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.851 14.165 1.860 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.792 14.490 -0.093 1.00 1.38 O ATOM 0 H ASP A 112 -6.467 10.230 2.050 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.936 11.439 -0.191 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.636 12.993 0.778 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.913 12.763 2.358 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.952 10.548 0.932 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.737 10.010 1.526 1.00 0.41 C ATOM 1798 C VAL A 113 -0.610 11.023 1.504 1.00 0.43 C ATOM 1799 O VAL A 113 -0.398 11.687 0.500 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.289 8.739 0.764 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.209 8.481 0.898 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -2.074 7.544 1.254 1.00 0.77 C ATOM 0 H VAL A 113 -2.938 10.573 -0.088 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.962 9.764 2.564 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.491 8.901 -0.295 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.474 7.579 0.346 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.762 9.329 0.494 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.463 8.351 1.950 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.754 6.653 0.714 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.897 7.405 2.321 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.137 7.711 1.081 1.00 0.77 H new ATOM 1812 N GLU A 114 0.103 11.139 2.612 1.00 0.47 N ATOM 1813 CA GLU A 114 1.325 11.921 2.635 1.00 0.55 C ATOM 1814 C GLU A 114 2.516 11.003 2.852 1.00 0.60 C ATOM 1815 O GLU A 114 2.668 10.396 3.913 1.00 0.62 O ATOM 1816 CB GLU A 114 1.288 12.984 3.722 1.00 0.67 C ATOM 1817 CG GLU A 114 2.477 13.928 3.669 1.00 1.31 C ATOM 1818 CD GLU A 114 2.356 15.084 4.639 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.613 14.884 5.844 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.994 16.200 4.202 1.00 2.05 O ATOM 0 H GLU A 114 -0.142 10.704 3.501 1.00 0.47 H new ATOM 0 HA GLU A 114 1.419 12.428 1.675 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.368 13.561 3.627 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.260 12.498 4.697 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.387 13.370 3.888 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.579 14.319 2.657 1.00 1.31 H new ATOM 1827 N HIS A 115 3.329 10.880 1.826 1.00 0.70 N ATOM 1828 CA HIS A 115 4.529 10.066 1.875 1.00 0.80 C ATOM 1829 C HIS A 115 5.726 10.958 2.087 1.00 0.89 C ATOM 1830 O HIS A 115 6.043 11.783 1.231 1.00 1.17 O ATOM 1831 CB HIS A 115 4.696 9.351 0.555 1.00 0.92 C ATOM 1832 CG HIS A 115 5.481 8.083 0.598 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.003 7.552 1.747 1.00 1.59 N ATOM 1834 CD2 HIS A 115 5.824 7.232 -0.397 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.630 6.434 1.460 1.00 1.64 C ATOM 1836 NE2 HIS A 115 6.543 6.212 0.164 1.00 1.47 N ATOM 0 H HIS A 115 3.178 11.343 0.930 1.00 0.70 H new ATOM 0 HA HIS A 115 4.447 9.345 2.689 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.706 9.130 0.155 1.00 0.92 H new ATOM 0 HB3 HIS A 115 5.179 10.031 -0.147 1.00 0.92 H new ATOM 0 HD1 HIS A 115 5.918 7.960 2.678 1.00 1.59 H new ATOM 0 HD2 HIS A 115 5.576 7.339 -1.443 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.136 5.799 2.172 1.00 1.64 H new ATOM 1845 N THR A 116 6.385 10.803 3.206 1.00 0.90 N ATOM 1846 CA THR A 116 7.523 11.632 3.505 1.00 1.08 C ATOM 1847 C THR A 116 8.737 10.801 3.882 1.00 0.83 C ATOM 1848 O THR A 116 8.656 9.570 4.001 1.00 1.67 O ATOM 1849 CB THR A 116 7.202 12.616 4.645 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.589 11.917 5.739 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.282 13.727 4.160 1.00 2.51 C ATOM 0 H THR A 116 6.155 10.114 3.922 1.00 0.90 H new ATOM 0 HA THR A 116 7.755 12.193 2.600 1.00 1.08 H new ATOM 0 HB THR A 116 8.136 13.065 4.982 1.00 1.92 H new ATOM 0 HG1 THR A 116 6.390 12.549 6.461 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.070 14.409 4.983 1.00 2.51 H new ATOM 0 HG22 THR A 116 6.767 14.274 3.351 1.00 2.51 H new ATOM 0 HG23 THR A 116 5.349 13.295 3.797 1.00 2.51 H new ATOM 1859 N HIS A 117 9.866 11.497 3.939 1.00 0.72 N ATOM 1860 CA HIS A 117 11.088 11.051 4.617 1.00 1.13 C ATOM 1861 C HIS A 117 12.097 10.536 3.611 1.00 0.90 C ATOM 1862 O HIS A 117 13.154 11.130 3.413 1.00 0.97 O ATOM 1863 CB HIS A 117 10.779 9.984 5.686 1.00 1.98 C ATOM 1864 CG HIS A 117 11.892 9.693 6.647 1.00 2.07 C ATOM 1865 ND1 HIS A 117 13.209 9.440 6.451 1.00 2.40 N flip ATOM 1866 CD2 HIS A 117 11.684 9.586 8.003 1.00 2.33 C flip ATOM 1867 CE1 HIS A 117 13.765 9.186 7.680 1.00 2.60 C flip ATOM 1868 NE2 HIS A 117 12.822 9.284 8.600 1.00 2.63 N flip ATOM 0 H HIS A 117 9.965 12.414 3.504 1.00 0.72 H new ATOM 0 HA HIS A 117 11.522 11.911 5.128 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.906 10.306 6.254 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.506 9.057 5.181 1.00 1.98 H new ATOM 0 HD2 HIS A 117 10.736 9.727 8.502 1.00 2.33 H new ATOM 0 HE1 HIS A 117 14.802 8.946 7.864 1.00 2.60 H new ATOM 0 HE2 HIS A 117 12.951 9.149 9.603 1.00 2.63 H new ATOM 1877 N PHE A 118 11.769 9.432 2.979 1.00 0.76 N ATOM 1878 CA PHE A 118 12.688 8.793 2.060 1.00 0.76 C ATOM 1879 C PHE A 118 12.571 9.361 0.646 1.00 0.65 C ATOM 1880 O PHE A 118 13.568 9.765 0.047 1.00 0.74 O ATOM 1881 CB PHE A 118 12.436 7.295 2.055 1.00 0.97 C ATOM 1882 CG PHE A 118 13.395 6.542 1.189 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.739 6.520 1.494 1.00 2.35 C ATOM 1884 CD2 PHE A 118 12.942 5.827 0.093 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.622 5.799 0.719 1.00 3.18 C ATOM 1886 CE2 PHE A 118 13.821 5.110 -0.692 1.00 3.21 C ATOM 1887 CZ PHE A 118 15.179 5.197 -0.450 1.00 3.54 C ATOM 0 H PHE A 118 10.873 8.956 3.083 1.00 0.76 H new ATOM 0 HA PHE A 118 13.704 8.994 2.400 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.504 6.918 3.075 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.419 7.105 1.712 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.103 7.072 2.348 1.00 2.35 H new ATOM 0 HD2 PHE A 118 11.890 5.831 -0.150 1.00 2.32 H new ATOM 0 HE1 PHE A 118 16.655 5.703 1.021 1.00 3.18 H new ATOM 0 HE2 PHE A 118 13.450 4.485 -1.491 1.00 3.21 H new ATOM 0 HZ PHE A 118 15.887 4.801 -1.163 1.00 3.54 H new ATOM 1897 N ASP A 119 11.347 9.387 0.125 1.00 0.66 N ATOM 1898 CA ASP A 119 11.077 9.804 -1.255 1.00 0.75 C ATOM 1899 C ASP A 119 11.636 11.187 -1.560 1.00 0.74 C ATOM 1900 O ASP A 119 12.075 11.448 -2.679 1.00 0.83 O ATOM 1901 CB ASP A 119 9.570 9.799 -1.521 1.00 0.94 C ATOM 1902 CG ASP A 119 8.966 8.414 -1.442 1.00 1.34 C ATOM 1903 OD1 ASP A 119 8.447 7.930 -2.472 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.004 7.807 -0.345 1.00 1.81 O ATOM 0 H ASP A 119 10.511 9.120 0.645 1.00 0.66 H new ATOM 0 HA ASP A 119 11.577 9.089 -1.908 1.00 0.75 H new ATOM 0 HB2 ASP A 119 9.076 10.448 -0.798 1.00 0.94 H new ATOM 0 HB3 ASP A 119 9.378 10.218 -2.509 1.00 0.94 H new ATOM 1909 N ARG A 120 11.635 12.058 -0.557 1.00 0.76 N ATOM 1910 CA ARG A 120 12.085 13.440 -0.728 1.00 0.89 C ATOM 1911 C ARG A 120 13.560 13.504 -1.125 1.00 0.83 C ATOM 1912 O ARG A 120 14.016 14.489 -1.705 1.00 1.00 O ATOM 1913 CB ARG A 120 11.871 14.227 0.564 1.00 1.07 C ATOM 1914 CG ARG A 120 12.141 15.716 0.426 1.00 1.50 C ATOM 1915 CD ARG A 120 12.333 16.370 1.783 1.00 1.71 C ATOM 1916 NE ARG A 120 13.530 15.862 2.461 1.00 2.15 N ATOM 1917 CZ ARG A 120 13.564 15.474 3.732 1.00 2.66 C ATOM 1918 NH1 ARG A 120 12.488 15.592 4.496 1.00 2.90 N ATOM 1919 NH2 ARG A 120 14.687 14.986 4.246 1.00 3.38 N ATOM 0 H ARG A 120 11.326 11.833 0.389 1.00 0.76 H new ATOM 0 HA ARG A 120 11.494 13.882 -1.530 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.844 14.083 0.901 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.521 13.820 1.339 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.031 15.871 -0.184 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.310 16.192 -0.095 1.00 1.50 H new ATOM 0 HD2 ARG A 120 12.415 17.450 1.659 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.456 16.186 2.404 1.00 1.71 H new ATOM 0 HE ARG A 120 14.394 15.802 1.922 1.00 2.15 H new ATOM 0 HH11 ARG A 120 11.628 15.982 4.110 1.00 2.90 H new ATOM 0 HH12 ARG A 120 12.519 15.293 5.471 1.00 2.90 H new ATOM 0 HH21 ARG A 120 15.522 14.909 3.666 1.00 3.38 H new ATOM 0 HH22 ARG A 120 14.714 14.688 5.221 1.00 3.38 H new ATOM 1933 N MET A 121 14.306 12.450 -0.810 1.00 0.73 N ATOM 1934 CA MET A 121 15.726 12.402 -1.136 1.00 0.91 C ATOM 1935 C MET A 121 15.920 12.248 -2.641 1.00 1.12 C ATOM 1936 O MET A 121 16.979 12.580 -3.175 1.00 1.41 O ATOM 1937 CB MET A 121 16.416 11.269 -0.375 1.00 1.05 C ATOM 1938 CG MET A 121 16.353 11.445 1.136 1.00 1.28 C ATOM 1939 SD MET A 121 17.186 10.127 2.042 1.00 2.15 S ATOM 1940 CE MET A 121 16.874 10.647 3.728 1.00 2.43 C ATOM 0 H MET A 121 13.953 11.621 -0.332 1.00 0.73 H new ATOM 0 HA MET A 121 16.185 13.341 -0.828 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.951 10.321 -0.645 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.459 11.212 -0.686 1.00 1.05 H new ATOM 0 HG2 MET A 121 16.804 12.401 1.403 1.00 1.28 H new ATOM 0 HG3 MET A 121 15.309 11.487 1.447 1.00 1.28 H new ATOM 0 HE1 MET A 121 17.326 9.934 4.418 1.00 2.43 H new ATOM 0 HE2 MET A 121 17.307 11.634 3.890 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.799 10.689 3.903 1.00 2.43 H new ATOM 1950 N GLY A 122 14.881 11.737 -3.302 1.00 1.18 N ATOM 1951 CA GLY A 122 14.828 11.686 -4.755 1.00 1.61 C ATOM 1952 C GLY A 122 16.071 11.121 -5.418 1.00 1.21 C ATOM 1953 O GLY A 122 16.789 10.306 -4.832 1.00 1.30 O ATOM 0 H GLY A 122 14.057 11.349 -2.843 1.00 1.18 H new ATOM 0 HA2 GLY A 122 13.969 11.084 -5.052 1.00 1.61 H new ATOM 0 HA3 GLY A 122 14.657 12.694 -5.134 1.00 1.61 H new ATOM 1957 N THR A 123 16.275 11.549 -6.663 1.00 1.27 N ATOM 1958 CA THR A 123 17.443 11.211 -7.470 1.00 1.42 C ATOM 1959 C THR A 123 17.813 9.726 -7.400 1.00 1.27 C ATOM 1960 O THR A 123 17.154 8.890 -8.017 1.00 1.24 O ATOM 1961 CB THR A 123 18.650 12.095 -7.091 1.00 1.94 C ATOM 1962 OG1 THR A 123 18.248 13.473 -7.088 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.800 11.918 -8.074 1.00 2.58 C ATOM 0 H THR A 123 15.615 12.156 -7.149 1.00 1.27 H new ATOM 0 HA THR A 123 17.169 11.413 -8.505 1.00 1.42 H new ATOM 0 HB THR A 123 18.992 11.793 -6.101 1.00 1.94 H new ATOM 0 HG1 THR A 123 19.013 14.036 -6.846 1.00 2.44 H new ATOM 0 HG21 THR A 123 20.633 12.555 -7.777 1.00 2.58 H new ATOM 0 HG22 THR A 123 20.121 10.876 -8.074 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.469 12.196 -9.075 1.00 2.58 H new ATOM 1971 N LYS A 124 18.833 9.395 -6.619 1.00 1.28 N ATOM 1972 CA LYS A 124 19.361 8.044 -6.597 1.00 1.24 C ATOM 1973 C LYS A 124 18.501 7.161 -5.710 1.00 1.05 C ATOM 1974 O LYS A 124 18.143 6.049 -6.094 1.00 1.04 O ATOM 1975 CB LYS A 124 20.806 8.048 -6.096 1.00 1.43 C ATOM 1976 CG LYS A 124 21.543 6.731 -6.304 1.00 2.04 C ATOM 1977 CD LYS A 124 22.948 6.782 -5.721 1.00 2.45 C ATOM 1978 CE LYS A 124 23.727 7.977 -6.248 1.00 3.14 C ATOM 1979 NZ LYS A 124 25.068 8.093 -5.619 1.00 3.80 N ATOM 0 H LYS A 124 19.309 10.046 -5.994 1.00 1.28 H new ATOM 0 HA LYS A 124 19.345 7.645 -7.611 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.353 8.842 -6.605 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.809 8.289 -5.033 1.00 1.43 H new ATOM 0 HG2 LYS A 124 20.983 5.921 -5.837 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.598 6.507 -7.369 1.00 2.04 H new ATOM 0 HD2 LYS A 124 22.890 6.835 -4.634 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.479 5.863 -5.968 1.00 2.45 H new ATOM 0 HE2 LYS A 124 23.841 7.887 -7.328 1.00 3.14 H new ATOM 0 HE3 LYS A 124 23.160 8.889 -6.062 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 25.563 8.921 -6.008 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 24.961 8.205 -4.591 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 25.620 7.234 -5.818 1.00 3.80 H new ATOM 1993 N HIS A 125 18.151 7.675 -4.536 1.00 0.96 N ATOM 1994 CA HIS A 125 17.348 6.918 -3.581 1.00 0.85 C ATOM 1995 C HIS A 125 15.991 6.570 -4.183 1.00 0.76 C ATOM 1996 O HIS A 125 15.561 5.408 -4.174 1.00 0.76 O ATOM 1997 CB HIS A 125 17.159 7.712 -2.282 1.00 0.85 C ATOM 1998 CG HIS A 125 18.363 7.713 -1.385 1.00 1.23 C ATOM 1999 ND1 HIS A 125 19.172 8.814 -1.207 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.881 6.738 -0.601 1.00 1.80 C ATOM 2001 CE1 HIS A 125 20.133 8.516 -0.351 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.978 7.263 0.032 1.00 2.12 N ATOM 0 H HIS A 125 18.410 8.611 -4.223 1.00 0.96 H new ATOM 0 HA HIS A 125 17.877 5.994 -3.349 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.904 8.742 -2.532 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.312 7.298 -1.735 1.00 0.85 H new ATOM 0 HD2 HIS A 125 18.500 5.733 -0.494 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.914 9.185 -0.020 1.00 2.14 H new ATOM 0 HE2 HIS A 125 20.577 6.766 0.691 1.00 2.12 H new ATOM 2011 N ALA A 126 15.335 7.579 -4.733 1.00 0.77 N ATOM 2012 CA ALA A 126 14.014 7.399 -5.306 1.00 0.80 C ATOM 2013 C ALA A 126 14.057 6.465 -6.507 1.00 0.86 C ATOM 2014 O ALA A 126 13.320 5.491 -6.556 1.00 0.92 O ATOM 2015 CB ALA A 126 13.413 8.738 -5.696 1.00 0.92 C ATOM 0 H ALA A 126 15.697 8.531 -4.794 1.00 0.77 H new ATOM 0 HA ALA A 126 13.380 6.941 -4.546 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.423 8.582 -6.124 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.331 9.371 -4.813 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.053 9.224 -6.432 1.00 0.92 H new ATOM 2021 N LYS A 127 14.950 6.742 -7.451 1.00 0.92 N ATOM 2022 CA LYS A 127 14.980 6.007 -8.713 1.00 1.05 C ATOM 2023 C LYS A 127 15.263 4.518 -8.500 1.00 0.97 C ATOM 2024 O LYS A 127 14.743 3.672 -9.229 1.00 1.04 O ATOM 2025 CB LYS A 127 16.020 6.617 -9.654 1.00 1.26 C ATOM 2026 CG LYS A 127 15.939 6.092 -11.078 1.00 1.55 C ATOM 2027 CD LYS A 127 16.913 6.810 -11.997 1.00 1.93 C ATOM 2028 CE LYS A 127 18.360 6.520 -11.630 1.00 2.38 C ATOM 2029 NZ LYS A 127 18.680 5.073 -11.741 1.00 2.83 N ATOM 0 H LYS A 127 15.662 7.468 -7.368 1.00 0.92 H new ATOM 0 HA LYS A 127 13.992 6.090 -9.167 1.00 1.05 H new ATOM 0 HB2 LYS A 127 15.894 7.700 -9.668 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.016 6.417 -9.259 1.00 1.26 H new ATOM 0 HG2 LYS A 127 16.153 5.023 -11.085 1.00 1.55 H new ATOM 0 HG3 LYS A 127 14.924 6.216 -11.455 1.00 1.55 H new ATOM 0 HD2 LYS A 127 16.732 6.504 -13.027 1.00 1.93 H new ATOM 0 HD3 LYS A 127 16.734 7.884 -11.947 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.021 7.089 -12.283 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.551 6.857 -10.611 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.712 4.944 -11.734 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 18.262 4.562 -10.937 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 18.290 4.698 -12.629 1.00 2.83 H new ATOM 2043 N ARG A 128 16.074 4.188 -7.502 1.00 0.94 N ATOM 2044 CA ARG A 128 16.419 2.792 -7.262 1.00 1.00 C ATOM 2045 C ARG A 128 15.276 2.044 -6.567 1.00 0.97 C ATOM 2046 O ARG A 128 15.078 0.852 -6.807 1.00 1.09 O ATOM 2047 CB ARG A 128 17.727 2.668 -6.476 1.00 1.14 C ATOM 2048 CG ARG A 128 17.679 3.235 -5.068 1.00 1.11 C ATOM 2049 CD ARG A 128 19.051 3.202 -4.415 1.00 1.34 C ATOM 2050 NE ARG A 128 19.608 1.850 -4.383 1.00 1.59 N ATOM 2051 CZ ARG A 128 20.494 1.427 -3.484 1.00 1.95 C ATOM 2052 NH1 ARG A 128 21.015 2.273 -2.604 1.00 2.14 N ATOM 2053 NH2 ARG A 128 20.895 0.163 -3.490 1.00 2.59 N ATOM 0 H ARG A 128 16.498 4.854 -6.856 1.00 0.94 H new ATOM 0 HA ARG A 128 16.574 2.322 -8.233 1.00 1.00 H new ATOM 0 HB2 ARG A 128 18.002 1.615 -6.419 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.517 3.175 -7.030 1.00 1.14 H new ATOM 0 HG2 ARG A 128 17.313 4.261 -5.099 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.973 2.662 -4.466 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.728 3.861 -4.959 1.00 1.34 H new ATOM 0 HD3 ARG A 128 18.979 3.589 -3.399 1.00 1.34 H new ATOM 0 HE ARG A 128 19.298 1.189 -5.095 1.00 1.59 H new ATOM 0 HH11 ARG A 128 20.737 3.254 -2.614 1.00 2.14 H new ATOM 0 HH12 ARG A 128 21.693 1.942 -1.918 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.525 -0.486 -4.184 1.00 2.59 H new ATOM 0 HH22 ARG A 128 21.574 -0.160 -2.801 1.00 2.59 H new ATOM 2067 N VAL A 129 14.519 2.733 -5.714 1.00 0.91 N ATOM 2068 CA VAL A 129 13.337 2.126 -5.098 1.00 1.04 C ATOM 2069 C VAL A 129 12.165 2.116 -6.076 1.00 1.04 C ATOM 2070 O VAL A 129 11.440 1.122 -6.202 1.00 1.19 O ATOM 2071 CB VAL A 129 12.924 2.861 -3.808 1.00 1.16 C ATOM 2072 CG1 VAL A 129 11.593 2.338 -3.282 1.00 1.43 C ATOM 2073 CG2 VAL A 129 14.004 2.710 -2.756 1.00 1.48 C ATOM 0 H VAL A 129 14.698 3.698 -5.436 1.00 0.91 H new ATOM 0 HA VAL A 129 13.602 1.101 -4.838 1.00 1.04 H new ATOM 0 HB VAL A 129 12.801 3.919 -4.041 1.00 1.16 H new ATOM 0 HG11 VAL A 129 11.326 2.874 -2.371 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.819 2.492 -4.034 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.681 1.274 -3.064 1.00 1.43 H new ATOM 0 HG21 VAL A 129 13.703 3.233 -1.848 1.00 1.48 H new ATOM 0 HG22 VAL A 129 14.151 1.653 -2.534 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.936 3.136 -3.128 1.00 1.48 H new ATOM 2083 N ARG A 130 12.003 3.223 -6.783 1.00 0.99 N ATOM 2084 CA ARG A 130 10.931 3.376 -7.756 1.00 1.14 C ATOM 2085 C ARG A 130 11.145 2.462 -8.947 1.00 1.05 C ATOM 2086 O ARG A 130 10.241 2.263 -9.755 1.00 1.24 O ATOM 2087 CB ARG A 130 10.772 4.836 -8.173 1.00 1.30 C ATOM 2088 CG ARG A 130 10.289 5.688 -7.016 1.00 1.75 C ATOM 2089 CD ARG A 130 9.852 7.074 -7.439 1.00 1.86 C ATOM 2090 NE ARG A 130 9.140 7.728 -6.346 1.00 2.36 N ATOM 2091 CZ ARG A 130 7.818 7.875 -6.309 1.00 2.92 C ATOM 2092 NH1 ARG A 130 7.082 7.605 -7.384 1.00 3.04 N ATOM 2093 NH2 ARG A 130 7.230 8.302 -5.201 1.00 3.83 N ATOM 0 H ARG A 130 12.609 4.039 -6.700 1.00 0.99 H new ATOM 0 HA ARG A 130 9.996 3.075 -7.284 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.726 5.219 -8.536 1.00 1.30 H new ATOM 0 HB3 ARG A 130 10.065 4.906 -8.999 1.00 1.30 H new ATOM 0 HG2 ARG A 130 9.456 5.185 -6.526 1.00 1.75 H new ATOM 0 HG3 ARG A 130 11.087 5.775 -6.279 1.00 1.75 H new ATOM 0 HD2 ARG A 130 10.721 7.667 -7.724 1.00 1.86 H new ATOM 0 HD3 ARG A 130 9.208 7.009 -8.316 1.00 1.86 H new ATOM 0 HE ARG A 130 9.687 8.093 -5.566 1.00 2.36 H new ATOM 0 HH11 ARG A 130 7.531 7.284 -8.242 1.00 3.04 H new ATOM 0 HH12 ARG A 130 6.069 7.719 -7.350 1.00 3.04 H new ATOM 0 HH21 ARG A 130 7.791 8.518 -4.377 1.00 3.83 H new ATOM 0 HH22 ARG A 130 6.217 8.415 -5.172 1.00 3.83 H new ATOM 2107 N ASN A 131 12.346 1.900 -9.030 1.00 0.85 N ATOM 2108 CA ASN A 131 12.662 0.861 -10.005 1.00 0.88 C ATOM 2109 C ASN A 131 11.621 -0.266 -9.928 1.00 1.08 C ATOM 2110 O ASN A 131 11.409 -1.002 -10.887 1.00 1.24 O ATOM 2111 CB ASN A 131 14.061 0.303 -9.713 1.00 0.88 C ATOM 2112 CG ASN A 131 14.723 -0.317 -10.925 1.00 1.70 C ATOM 2113 OD1 ASN A 131 14.497 0.098 -12.059 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.554 -1.316 -10.682 1.00 2.04 N ATOM 0 H ASN A 131 13.127 2.151 -8.424 1.00 0.85 H new ATOM 0 HA ASN A 131 12.642 1.287 -11.008 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.693 1.106 -9.333 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.989 -0.446 -8.924 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.038 -1.776 -11.453 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.711 -1.627 -9.723 1.00 2.04 H new ATOM 2121 N GLY A 132 10.992 -0.400 -8.759 1.00 1.23 N ATOM 2122 CA GLY A 132 9.878 -1.320 -8.606 1.00 1.61 C ATOM 2123 C GLY A 132 8.630 -0.636 -8.064 1.00 1.21 C ATOM 2124 O GLY A 132 7.530 -1.170 -8.164 1.00 1.24 O ATOM 0 H GLY A 132 11.237 0.115 -7.914 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.650 -1.774 -9.570 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.167 -2.128 -7.934 1.00 1.61 H new ATOM 2128 N MET A 133 8.810 0.542 -7.474 1.00 1.24 N ATOM 2129 CA MET A 133 7.706 1.302 -6.885 1.00 1.38 C ATOM 2130 C MET A 133 6.900 2.073 -7.935 1.00 1.35 C ATOM 2131 O MET A 133 5.669 2.066 -7.906 1.00 1.56 O ATOM 2132 CB MET A 133 8.255 2.275 -5.823 1.00 2.06 C ATOM 2133 CG MET A 133 7.473 3.582 -5.689 1.00 2.92 C ATOM 2134 SD MET A 133 5.827 3.372 -4.983 1.00 3.99 S ATOM 2135 CE MET A 133 6.221 3.227 -3.244 1.00 4.83 C ATOM 0 H MET A 133 9.719 0.997 -7.390 1.00 1.24 H new ATOM 0 HA MET A 133 7.027 0.586 -6.421 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.262 1.771 -4.857 1.00 2.06 H new ATOM 0 HB3 MET A 133 9.291 2.511 -6.067 1.00 2.06 H new ATOM 0 HG2 MET A 133 8.041 4.273 -5.066 1.00 2.92 H new ATOM 0 HG3 MET A 133 7.381 4.043 -6.673 1.00 2.92 H new ATOM 0 HE1 MET A 133 5.591 2.462 -2.791 1.00 4.83 H new ATOM 0 HE2 MET A 133 7.269 2.949 -3.130 1.00 4.83 H new ATOM 0 HE3 MET A 133 6.044 4.182 -2.750 1.00 4.83 H new ATOM 2145 N ASP A 134 7.595 2.702 -8.875 1.00 1.38 N ATOM 2146 CA ASP A 134 6.992 3.750 -9.701 1.00 1.84 C ATOM 2147 C ASP A 134 5.932 3.216 -10.661 1.00 1.95 C ATOM 2148 O ASP A 134 5.032 3.950 -11.060 1.00 2.41 O ATOM 2149 CB ASP A 134 8.066 4.508 -10.475 1.00 2.05 C ATOM 2150 CG ASP A 134 7.574 5.862 -10.945 1.00 2.29 C ATOM 2151 OD1 ASP A 134 7.516 6.797 -10.113 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.248 6.003 -12.139 1.00 2.28 O ATOM 0 H ASP A 134 8.574 2.508 -9.087 1.00 1.38 H new ATOM 0 HA ASP A 134 6.487 4.431 -9.016 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.944 4.640 -9.843 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.379 3.917 -11.336 1.00 2.05 H new ATOM 2157 N LYS A 135 6.027 1.952 -11.039 1.00 1.70 N ATOM 2158 CA LYS A 135 4.995 1.350 -11.873 1.00 2.03 C ATOM 2159 C LYS A 135 4.298 0.228 -11.109 1.00 1.70 C ATOM 2160 O LYS A 135 3.724 -0.693 -11.695 1.00 2.17 O ATOM 2161 CB LYS A 135 5.576 0.822 -13.186 1.00 2.40 C ATOM 2162 CG LYS A 135 4.526 0.705 -14.284 1.00 3.08 C ATOM 2163 CD LYS A 135 5.066 0.041 -15.538 1.00 3.44 C ATOM 2164 CE LYS A 135 5.376 -1.429 -15.306 1.00 3.61 C ATOM 2165 NZ LYS A 135 5.709 -2.127 -16.573 1.00 4.15 N ATOM 0 H LYS A 135 6.795 1.329 -10.788 1.00 1.70 H new ATOM 0 HA LYS A 135 4.266 2.121 -12.121 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.373 1.486 -13.520 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.027 -0.155 -13.013 1.00 2.40 H new ATOM 0 HG2 LYS A 135 3.677 0.132 -13.911 1.00 3.08 H new ATOM 0 HG3 LYS A 135 4.155 1.699 -14.534 1.00 3.08 H new ATOM 0 HD2 LYS A 135 4.338 0.137 -16.343 1.00 3.44 H new ATOM 0 HD3 LYS A 135 5.970 0.557 -15.863 1.00 3.44 H new ATOM 0 HE2 LYS A 135 6.210 -1.519 -14.611 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.518 -1.912 -14.839 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 5.914 -3.127 -16.375 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 4.903 -2.062 -17.227 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 6.543 -1.681 -17.006 1.00 4.15 H new ATOM 2179 N GLY A 136 4.353 0.321 -9.791 1.00 1.04 N ATOM 2180 CA GLY A 136 3.695 -0.653 -8.950 1.00 0.79 C ATOM 2181 C GLY A 136 2.558 -0.035 -8.168 1.00 0.65 C ATOM 2182 O GLY A 136 1.396 -0.211 -8.516 1.00 0.57 O ATOM 0 H GLY A 136 4.845 1.058 -9.286 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.314 -1.468 -9.566 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.419 -1.087 -8.260 1.00 0.79 H new ATOM 2186 N TRP A 137 2.908 0.732 -7.143 1.00 0.68 N ATOM 2187 CA TRP A 137 1.928 1.289 -6.210 1.00 0.67 C ATOM 2188 C TRP A 137 0.873 2.172 -6.909 1.00 0.57 C ATOM 2189 O TRP A 137 -0.321 1.993 -6.672 1.00 0.56 O ATOM 2190 CB TRP A 137 2.647 2.074 -5.110 1.00 0.81 C ATOM 2191 CG TRP A 137 1.808 2.324 -3.891 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.111 1.396 -3.172 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.601 3.580 -3.234 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.474 1.999 -2.114 1.00 1.62 N ATOM 2195 CE2 TRP A 137 0.762 3.338 -2.129 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.043 4.883 -3.472 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.354 4.354 -1.269 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 1.640 5.890 -2.616 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.805 5.620 -1.525 1.00 2.32 C ATOM 0 H TRP A 137 3.873 0.986 -6.933 1.00 0.68 H new ATOM 0 HA TRP A 137 1.387 0.452 -5.768 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.544 1.529 -4.816 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.975 3.031 -5.516 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.067 0.342 -3.401 1.00 1.62 H new ATOM 0 HE1 TRP A 137 -0.117 1.527 -1.430 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.688 5.100 -4.310 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.295 4.150 -0.430 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 1.975 6.902 -2.791 1.00 2.78 H new ATOM 0 HH2 TRP A 137 0.511 6.428 -0.872 1.00 2.32 H new ATOM 2210 N PRO A 138 1.275 3.131 -7.776 1.00 0.58 N ATOM 2211 CA PRO A 138 0.319 3.983 -8.501 1.00 0.61 C ATOM 2212 C PRO A 138 -0.638 3.177 -9.382 1.00 0.58 C ATOM 2213 O PRO A 138 -1.825 3.493 -9.475 1.00 0.64 O ATOM 2214 CB PRO A 138 1.211 4.880 -9.366 1.00 0.68 C ATOM 2215 CG PRO A 138 2.512 4.170 -9.435 1.00 0.66 C ATOM 2216 CD PRO A 138 2.664 3.488 -8.112 1.00 0.63 C ATOM 0 HA PRO A 138 -0.324 4.535 -7.815 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.785 5.021 -10.359 1.00 0.68 H new ATOM 0 HB3 PRO A 138 1.324 5.870 -8.924 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.523 3.449 -10.252 1.00 0.66 H new ATOM 0 HG3 PRO A 138 3.331 4.867 -9.614 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.304 2.608 -8.180 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.106 4.147 -7.364 1.00 0.63 H new ATOM 2224 N THR A 139 -0.116 2.132 -10.018 1.00 0.57 N ATOM 2225 CA THR A 139 -0.923 1.270 -10.867 1.00 0.62 C ATOM 2226 C THR A 139 -1.863 0.442 -9.998 1.00 0.54 C ATOM 2227 O THR A 139 -3.034 0.204 -10.343 1.00 0.55 O ATOM 2228 CB THR A 139 -0.018 0.344 -11.698 1.00 0.72 C ATOM 2229 OG1 THR A 139 1.038 1.116 -12.289 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.808 -0.365 -12.789 1.00 0.87 C ATOM 0 H THR A 139 0.866 1.863 -9.959 1.00 0.57 H new ATOM 0 HA THR A 139 -1.509 1.885 -11.550 1.00 0.62 H new ATOM 0 HB THR A 139 0.400 -0.414 -11.036 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.885 0.631 -12.203 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.141 -1.012 -13.359 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.596 -0.966 -12.335 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.253 0.374 -13.455 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.335 0.042 -8.843 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.106 -0.662 -7.842 1.00 0.47 C ATOM 2240 C ILE A 140 -3.345 0.134 -7.480 1.00 0.42 C ATOM 2241 O ILE A 140 -4.434 -0.416 -7.427 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.271 -0.936 -6.567 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.247 -2.045 -6.831 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.170 -1.302 -5.394 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.626 -2.372 -5.638 1.00 0.72 C ATOM 0 H ILE A 140 -0.362 0.200 -8.583 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.399 -1.622 -8.267 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.736 -0.023 -6.306 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.775 -2.947 -7.140 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.390 -1.747 -7.664 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.558 -1.489 -4.511 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.857 -0.480 -5.192 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.739 -2.199 -5.638 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.324 -3.166 -5.905 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.183 -1.484 -5.340 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.000 -2.702 -4.809 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.172 1.435 -7.284 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.272 2.309 -6.899 1.00 0.36 C ATOM 2259 C LEU A 141 -5.422 2.241 -7.902 1.00 0.38 C ATOM 2260 O LEU A 141 -6.583 2.344 -7.518 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.790 3.752 -6.763 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.683 3.981 -5.730 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.361 5.465 -5.619 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.083 3.409 -4.373 1.00 0.56 C ATOM 0 H LEU A 141 -2.275 1.910 -7.386 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.641 1.961 -5.934 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.432 4.091 -7.735 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.643 4.379 -6.502 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.786 3.459 -6.063 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.572 5.612 -4.881 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.026 5.838 -6.587 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.254 6.009 -5.310 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.282 3.583 -3.654 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -3.994 3.897 -4.026 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.259 2.338 -4.467 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.099 2.054 -9.178 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.116 1.986 -10.224 1.00 0.48 C ATOM 2278 C GLN A 142 -6.940 0.723 -10.098 1.00 0.47 C ATOM 2279 O GLN A 142 -8.164 0.771 -9.947 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.476 2.051 -11.614 1.00 0.58 C ATOM 2281 CG GLN A 142 -4.771 3.364 -11.908 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.705 4.553 -11.816 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.351 4.931 -12.793 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.781 5.153 -10.642 1.00 0.77 N ATOM 0 H GLN A 142 -4.142 1.947 -9.513 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.773 2.846 -10.099 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.759 1.236 -11.711 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.248 1.888 -12.366 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -3.948 3.497 -11.206 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.335 3.324 -12.906 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.229 4.809 -9.857 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -6.392 5.961 -10.521 1.00 0.77 H new ATOM 2293 N SER A 143 -6.274 -0.408 -10.140 1.00 0.49 N ATOM 2294 CA SER A 143 -6.968 -1.677 -10.069 1.00 0.53 C ATOM 2295 C SER A 143 -7.510 -1.933 -8.656 1.00 0.45 C ATOM 2296 O SER A 143 -8.431 -2.728 -8.467 1.00 0.46 O ATOM 2297 CB SER A 143 -6.040 -2.773 -10.547 1.00 0.64 C ATOM 2298 OG SER A 143 -4.789 -2.229 -10.932 1.00 1.15 O ATOM 0 H SER A 143 -5.260 -0.478 -10.222 1.00 0.49 H new ATOM 0 HA SER A 143 -7.839 -1.660 -10.724 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.896 -3.507 -9.755 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.490 -3.298 -11.390 1.00 0.64 H new ATOM 0 HG SER A 143 -4.317 -2.868 -11.506 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.922 -1.254 -7.676 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.433 -1.247 -6.309 1.00 0.36 C ATOM 2306 C PHE A 144 -8.847 -0.677 -6.296 1.00 0.32 C ATOM 2307 O PHE A 144 -9.762 -1.258 -5.711 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.503 -0.404 -5.420 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.001 -0.145 -4.027 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.949 -1.134 -3.062 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.494 1.103 -3.679 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.382 -0.887 -1.776 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.933 1.355 -2.395 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.876 0.359 -1.441 1.00 0.78 C ATOM 0 H PHE A 144 -6.079 -0.694 -7.806 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.463 -2.265 -5.920 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.538 -0.906 -5.355 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.331 0.554 -5.910 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.565 -2.110 -3.318 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.535 1.887 -4.421 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.335 -1.667 -1.031 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.320 2.330 -2.137 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.217 0.553 -0.435 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.016 0.457 -6.976 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.323 1.091 -7.116 1.00 0.31 C ATOM 2326 C GLN A 145 -11.283 0.166 -7.835 1.00 0.35 C ATOM 2327 O GLN A 145 -12.468 0.127 -7.529 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.215 2.388 -7.914 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.329 3.433 -7.278 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.022 4.572 -8.227 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -7.820 5.109 -8.127 1.00 1.63 O flip ATOM 2332 NE2 GLN A 145 -9.842 4.937 -9.070 1.00 0.66 N flip ATOM 0 H GLN A 145 -8.258 0.957 -7.440 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.693 1.308 -6.114 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.832 2.159 -8.908 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.213 2.805 -8.045 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -9.816 3.826 -6.386 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.397 2.970 -6.955 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -10.760 4.495 -9.113 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -9.603 5.681 -9.725 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.751 -0.572 -8.795 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.565 -1.431 -9.641 1.00 0.43 C ATOM 2343 C ASP A 146 -12.043 -2.670 -8.886 1.00 0.40 C ATOM 2344 O ASP A 146 -13.187 -3.090 -9.040 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.787 -1.835 -10.892 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.676 -2.474 -11.938 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.452 -1.751 -12.586 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.607 -3.714 -12.106 1.00 1.46 O ATOM 0 H ASP A 146 -9.754 -0.594 -9.009 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.447 -0.865 -9.941 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.304 -0.955 -11.317 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.995 -2.532 -10.616 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.176 -3.248 -8.059 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.570 -4.386 -7.232 1.00 0.51 C ATOM 2355 C LYS A 147 -12.604 -3.949 -6.195 1.00 0.48 C ATOM 2356 O LYS A 147 -13.524 -4.694 -5.868 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.349 -5.020 -6.554 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.688 -6.145 -5.580 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.453 -7.270 -6.264 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.824 -8.384 -5.295 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.627 -7.888 -4.144 1.00 1.74 N ATOM 0 H LYS A 147 -10.207 -2.952 -7.944 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.021 -5.142 -7.875 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.682 -5.409 -7.323 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.801 -4.244 -6.019 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.769 -6.540 -5.147 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.283 -5.748 -4.758 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.359 -6.868 -6.717 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.847 -7.680 -7.072 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -12.389 -9.151 -5.825 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.915 -8.857 -4.924 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -13.135 -8.683 -3.707 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -11.995 -7.453 -3.442 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.313 -7.181 -4.478 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.450 -2.730 -5.692 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.439 -2.150 -4.796 1.00 0.40 C ATOM 2377 C ILE A 148 -14.709 -1.794 -5.565 1.00 0.42 C ATOM 2378 O ILE A 148 -15.817 -1.873 -5.039 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.887 -0.895 -4.098 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.793 -1.291 -3.105 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.004 -0.134 -3.399 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.200 -0.124 -2.349 1.00 0.37 C ATOM 0 H ILE A 148 -11.652 -2.127 -5.889 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.675 -2.894 -4.035 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.453 -0.235 -4.850 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.206 -2.003 -2.390 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.997 -1.805 -3.643 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.592 0.750 -2.912 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.751 0.170 -4.132 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.470 -0.777 -2.652 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.432 -0.486 -1.665 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.756 0.579 -3.054 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.984 0.378 -1.782 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.530 -1.413 -6.821 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.642 -1.081 -7.702 1.00 0.49 C ATOM 2396 C ASP A 149 -16.574 -2.281 -7.829 1.00 0.55 C ATOM 2397 O ASP A 149 -17.790 -2.129 -7.940 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.104 -0.661 -9.074 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.122 0.061 -9.927 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.397 1.246 -9.644 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.615 -0.533 -10.908 1.00 0.77 O ATOM 0 H ASP A 149 -13.613 -1.325 -7.258 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.207 -0.249 -7.282 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.237 -0.016 -8.933 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.759 -1.547 -9.607 1.00 0.54 H new ATOM 2406 N GLU A 150 -15.986 -3.475 -7.760 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.737 -4.726 -7.799 1.00 0.68 C ATOM 2408 C GLU A 150 -17.609 -4.859 -6.563 1.00 0.75 C ATOM 2409 O GLU A 150 -18.705 -5.417 -6.612 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.778 -5.915 -7.869 1.00 0.76 C ATOM 2411 CG GLU A 150 -14.901 -5.916 -9.102 1.00 0.78 C ATOM 2412 CD GLU A 150 -13.874 -7.024 -9.090 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.671 -6.721 -9.219 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.267 -8.202 -8.959 1.00 1.50 O ATOM 0 H GLU A 150 -14.977 -3.601 -7.676 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.370 -4.717 -8.686 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.144 -5.912 -6.983 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.356 -6.839 -7.844 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.528 -6.018 -9.988 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.392 -4.956 -9.181 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.110 -4.330 -5.458 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.797 -4.415 -4.180 1.00 0.84 C ATOM 2423 C GLU A 151 -18.858 -3.325 -4.093 1.00 0.88 C ATOM 2424 O GLU A 151 -19.762 -3.375 -3.257 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.802 -4.242 -3.028 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.490 -4.998 -3.199 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.673 -6.492 -3.376 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.266 -7.029 -4.425 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -16.258 -7.130 -2.478 1.00 1.63 O ATOM 0 H GLU A 151 -16.221 -3.831 -5.421 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.268 -5.395 -4.102 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.581 -3.181 -2.913 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.277 -4.571 -2.104 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.960 -4.600 -4.064 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.860 -4.818 -2.328 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.730 -2.336 -4.962 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.629 -1.208 -4.940 1.00 0.96 C ATOM 2438 C GLY A 152 -20.765 -1.344 -5.929 1.00 1.04 C ATOM 2439 O GLY A 152 -21.893 -1.659 -5.546 1.00 1.32 O ATOM 0 H GLY A 152 -18.013 -2.297 -5.687 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.039 -1.095 -3.936 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.069 -0.299 -5.160 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.472 -1.131 -7.206 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.521 -1.076 -8.215 1.00 1.47 C ATOM 2445 C ALA A 153 -21.092 -1.693 -9.546 1.00 1.29 C ATOM 2446 O ALA A 153 -21.745 -1.483 -10.566 1.00 1.70 O ATOM 2447 CB ALA A 153 -21.949 0.369 -8.420 1.00 1.92 C ATOM 0 H ALA A 153 -19.527 -0.995 -7.564 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.360 -1.669 -7.850 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -22.734 0.412 -9.175 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.326 0.774 -7.481 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.094 0.958 -8.752 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.006 -2.455 -9.550 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.575 -3.122 -10.773 1.00 1.02 C ATOM 2455 C LYS A 154 -20.405 -4.379 -11.004 1.00 1.38 C ATOM 2456 O LYS A 154 -19.966 -5.496 -10.721 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.084 -3.474 -10.730 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.556 -4.019 -12.049 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.142 -4.560 -11.921 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.142 -3.482 -11.530 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.069 -2.388 -12.534 1.00 1.32 N ATOM 0 H LYS A 154 -19.416 -2.625 -8.736 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.729 -2.430 -11.601 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.515 -2.584 -10.459 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.914 -4.212 -9.946 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.216 -4.811 -12.403 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.575 -3.229 -12.800 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.126 -5.354 -11.175 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -15.839 -5.006 -12.868 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.420 -3.065 -10.562 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.155 -3.930 -11.412 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.076 -2.223 -12.796 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.610 -2.657 -13.381 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.470 -1.518 -12.129 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.626 -4.182 -11.475 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.522 -5.283 -11.771 1.00 2.44 C ATOM 2477 C LYS A 155 -23.179 -5.055 -13.123 1.00 3.14 C ATOM 2478 O LYS A 155 -24.357 -4.650 -13.156 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.587 -5.421 -10.675 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.018 -5.783 -9.312 1.00 2.95 C ATOM 2481 CD LYS A 155 -24.104 -5.864 -8.251 1.00 3.46 C ATOM 2482 CE LYS A 155 -23.534 -6.247 -6.891 1.00 3.45 C ATOM 2483 NZ LYS A 155 -22.871 -7.579 -6.914 1.00 4.22 N ATOM 2484 OXT LYS A 155 -22.494 -5.242 -14.147 1.00 3.60 O ATOM 0 H LYS A 155 -22.020 -3.260 -11.661 1.00 1.82 H new ATOM 0 HA LYS A 155 -21.948 -6.209 -11.804 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -24.135 -4.482 -10.593 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -24.306 -6.184 -10.973 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -22.501 -6.740 -9.377 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -22.277 -5.039 -9.018 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -24.612 -4.902 -8.175 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -24.853 -6.597 -8.552 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -22.816 -5.491 -6.574 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -24.335 -6.255 -6.152 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -22.695 -7.896 -5.939 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -23.487 -8.265 -7.396 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -21.967 -7.508 -7.423 1.00 4.22 H new TER 2498 LYS A 155