USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1236 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 158 GLN : amide:sc= -0.25 X(o=-0.91,f=-0.88) USER MOD Set 1.2: A 160 GLN : amide:sc= -0.663! C(o=-0.91!,f=-4.3!) USER MOD Set 2.1: A 120 HIS :FLIP no HD1:sc= 0.544 F(o=-0.23,f=1.2) USER MOD Set 2.2: A 152 SER OG : rot -142:sc= 0.647 USER MOD Set 3.1: A 106 LYS NZ :NH3+ -169:sc= 0.00622 (180deg=0) USER MOD Set 3.2: A 113 GLN : amide:sc= 0.427 K(o=0.8,f=-3.6) USER MOD Set 3.3: A 149 SER OG : rot -133:sc= 0.364 USER MOD Set 4.1: A 75 SER OG : rot 73:sc= 0.256 USER MOD Set 4.2: A 133 MET CE :methyl 150:sc= -2.1 (180deg=-4.59!) USER MOD Set 5.1: A 62 SER OG : rot -93:sc= 0.454 USER MOD Set 5.2: A 94 HIS :FLIP no HE2:sc= 0.391 F(o=-0.043,f=0.85) USER MOD Set 6.1: A 47 SER OG : rot -75:sc= 0.265 USER MOD Set 6.2: A 49 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 1 HIS : no HE2:sc= 0.158! C(o=0.16!,f=-5.6!) USER MOD Single : A 1 HIS N :NH3+ -124:sc= 0.117 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 2:sc= 0.595 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 43:sc= 0.0577 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.69) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.123 (180deg=-0.668) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00732 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.772! C(o=-0.77!,f=-3.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -160:sc= -0.147 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 72 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.15) USER MOD Single : A 73 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.4) USER MOD Single : A 77 GLN : amide:sc= -3.85! C(o=-3.8!,f=-6.6!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.083 (180deg=-0.468) USER MOD Single : A 82 THR OG1 : rot -21:sc= 0.199 USER MOD Single : A 84 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 86 GLN : amide:sc=-0.00216 X(o=-0.0022,f=-0.0022) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 100 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.2) USER MOD Single : A 102 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0074) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 110 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0096) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 116 MET CE :methyl -116:sc= -0.0085 (180deg=-1.41) USER MOD Single : A 118 SER OG : rot 32:sc= 0.0773 USER MOD Single : A 121 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc=-0.00124 K(o=-0.0012,f=-1) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc=-0.00938 X(o=-0.0094,f=0) USER MOD Single : A 147 GLN : amide:sc= -0.749 K(o=-0.75,f=-5.8!) USER MOD Single : A 148 SER OG : rot 140:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 159 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 SER OG : rot -20:sc= 0.6 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -15.346 -22.216 14.895 1.00 2.43 N ATOM 2 CA HIS A 1 -14.609 -21.862 13.666 1.00 71.01 C ATOM 3 C HIS A 1 -15.419 -22.253 12.434 1.00 35.21 C ATOM 4 O HIS A 1 -16.527 -22.777 12.552 1.00 22.05 O ATOM 5 CB HIS A 1 -13.228 -22.544 13.639 1.00 55.33 C ATOM 6 CG HIS A 1 -12.289 -22.071 14.715 1.00 73.15 C ATOM 7 ND1 HIS A 1 -11.689 -22.919 15.620 1.00 72.22 N ATOM 8 CD2 HIS A 1 -11.838 -20.831 15.015 1.00 21.10 C ATOM 9 CE1 HIS A 1 -10.914 -22.222 16.428 1.00 65.41 C ATOM 10 NE2 HIS A 1 -10.986 -20.956 16.082 1.00 3.01 N ATOM 0 H1 HIS A 1 -15.461 -21.369 15.487 1.00 2.43 H new ATOM 0 H2 HIS A 1 -16.282 -22.591 14.642 1.00 2.43 H new ATOM 0 H3 HIS A 1 -14.815 -22.938 15.423 1.00 2.43 H new ATOM 0 HA HIS A 1 -14.455 -20.783 13.657 1.00 71.01 H new ATOM 0 HB2 HIS A 1 -13.364 -23.621 13.738 1.00 55.33 H new ATOM 0 HB3 HIS A 1 -12.767 -22.369 12.667 1.00 55.33 H new ATOM 0 HD1 HIS A 1 -11.823 -23.929 15.659 1.00 72.22 H new ATOM 0 HD2 HIS A 1 -12.100 -19.914 14.508 1.00 21.10 H new ATOM 0 HE1 HIS A 1 -10.321 -22.623 17.237 1.00 65.41 H new ATOM 21 N MET A 2 -14.865 -22.005 11.258 1.00 51.10 N ATOM 22 CA MET A 2 -15.546 -22.309 10.002 1.00 34.35 C ATOM 23 C MET A 2 -15.042 -23.624 9.422 1.00 62.24 C ATOM 24 O MET A 2 -15.003 -23.808 8.203 1.00 61.14 O ATOM 25 CB MET A 2 -15.329 -21.174 8.993 1.00 4.42 C ATOM 26 CG MET A 2 -15.855 -19.827 9.458 1.00 60.31 C ATOM 27 SD MET A 2 -17.623 -19.857 9.817 1.00 20.52 S ATOM 28 CE MET A 2 -17.883 -18.169 10.355 1.00 32.02 C ATOM 0 H MET A 2 -13.940 -21.591 11.143 1.00 51.10 H new ATOM 0 HA MET A 2 -16.613 -22.405 10.205 1.00 34.35 H new ATOM 0 HB2 MET A 2 -14.263 -21.085 8.786 1.00 4.42 H new ATOM 0 HB3 MET A 2 -15.815 -21.438 8.054 1.00 4.42 H new ATOM 0 HG2 MET A 2 -15.312 -19.518 10.351 1.00 60.31 H new ATOM 0 HG3 MET A 2 -15.657 -19.079 8.690 1.00 60.31 H new ATOM 0 HE1 MET A 2 -18.932 -18.027 10.614 1.00 32.02 H new ATOM 0 HE2 MET A 2 -17.263 -17.966 11.228 1.00 32.02 H new ATOM 0 HE3 MET A 2 -17.612 -17.485 9.551 1.00 32.02 H new ATOM 38 N ALA A 3 -14.684 -24.544 10.303 1.00 2.21 N ATOM 39 CA ALA A 3 -14.166 -25.843 9.911 1.00 1.42 C ATOM 40 C ALA A 3 -14.037 -26.735 11.126 1.00 0.13 C ATOM 41 O ALA A 3 -14.224 -26.279 12.258 1.00 1.10 O ATOM 42 CB ALA A 3 -12.809 -25.694 9.238 1.00 22.21 C ATOM 0 H ALA A 3 -14.745 -24.410 11.312 1.00 2.21 H new ATOM 0 HA ALA A 3 -14.861 -26.295 9.204 1.00 1.42 H new ATOM 0 HB1 ALA A 3 -12.435 -26.677 8.951 1.00 22.21 H new ATOM 0 HB2 ALA A 3 -12.910 -25.070 8.350 1.00 22.21 H new ATOM 0 HB3 ALA A 3 -12.108 -25.228 9.931 1.00 22.21 H new ATOM 48 N SER A 4 -13.740 -27.995 10.900 1.00 40.42 N ATOM 49 CA SER A 4 -13.553 -28.932 11.980 1.00 2.24 C ATOM 50 C SER A 4 -12.173 -28.750 12.597 1.00 32.42 C ATOM 51 O SER A 4 -11.155 -28.805 11.894 1.00 51.10 O ATOM 52 CB SER A 4 -13.725 -30.360 11.469 1.00 51.21 C ATOM 53 OG SER A 4 -14.986 -30.519 10.840 1.00 64.10 O ATOM 0 H SER A 4 -13.622 -28.395 9.969 1.00 40.42 H new ATOM 0 HA SER A 4 -14.304 -28.744 12.747 1.00 2.24 H new ATOM 0 HB2 SER A 4 -12.929 -30.597 10.764 1.00 51.21 H new ATOM 0 HB3 SER A 4 -13.636 -31.062 12.298 1.00 51.21 H new ATOM 0 HG SER A 4 -15.077 -31.440 10.518 1.00 64.10 H new ATOM 59 N ASP A 5 -12.131 -28.523 13.898 1.00 31.43 N ATOM 60 CA ASP A 5 -10.862 -28.344 14.586 1.00 21.40 C ATOM 61 C ASP A 5 -10.204 -29.681 14.822 1.00 64.22 C ATOM 62 O ASP A 5 -8.976 -29.801 14.748 1.00 13.15 O ATOM 63 CB ASP A 5 -11.039 -27.593 15.912 1.00 34.15 C ATOM 64 CG ASP A 5 -11.149 -26.094 15.723 1.00 71.12 C ATOM 65 OD1 ASP A 5 -10.124 -25.452 15.403 1.00 63.24 O ATOM 66 OD2 ASP A 5 -12.257 -25.537 15.903 1.00 21.02 O ATOM 0 H ASP A 5 -12.954 -28.458 14.497 1.00 31.43 H new ATOM 0 HA ASP A 5 -10.219 -27.738 13.948 1.00 21.40 H new ATOM 0 HB2 ASP A 5 -11.934 -27.959 16.416 1.00 34.15 H new ATOM 0 HB3 ASP A 5 -10.194 -27.812 16.565 1.00 34.15 H new ATOM 71 N ASP A 6 -11.033 -30.695 15.093 1.00 5.02 N ATOM 72 CA ASP A 6 -10.561 -32.069 15.302 1.00 12.23 C ATOM 73 C ASP A 6 -9.593 -32.123 16.501 1.00 30.51 C ATOM 74 O ASP A 6 -9.590 -31.219 17.340 1.00 43.11 O ATOM 75 CB ASP A 6 -9.891 -32.591 14.008 1.00 32.04 C ATOM 76 CG ASP A 6 -9.752 -34.100 13.966 1.00 41.33 C ATOM 77 OD1 ASP A 6 -10.744 -34.786 13.642 1.00 60.13 O ATOM 78 OD2 ASP A 6 -8.653 -34.607 14.257 1.00 72.32 O ATOM 0 H ASP A 6 -12.044 -30.588 15.173 1.00 5.02 H new ATOM 0 HA ASP A 6 -11.408 -32.715 15.532 1.00 12.23 H new ATOM 0 HB2 ASP A 6 -10.475 -32.264 13.148 1.00 32.04 H new ATOM 0 HB3 ASP A 6 -8.903 -32.140 13.912 1.00 32.04 H new ATOM 83 N ARG A 7 -8.793 -33.165 16.587 1.00 3.24 N ATOM 84 CA ARG A 7 -7.841 -33.303 17.675 1.00 4.42 C ATOM 85 C ARG A 7 -6.454 -32.849 17.234 1.00 13.40 C ATOM 86 O ARG A 7 -6.255 -32.496 16.067 1.00 60.33 O ATOM 87 CB ARG A 7 -7.832 -34.751 18.224 1.00 3.13 C ATOM 88 CG ARG A 7 -7.822 -35.854 17.160 1.00 12.33 C ATOM 89 CD ARG A 7 -6.462 -36.011 16.502 1.00 15.54 C ATOM 90 NE ARG A 7 -6.472 -37.040 15.461 1.00 44.12 N ATOM 91 CZ ARG A 7 -5.442 -37.844 15.180 1.00 41.53 C ATOM 92 NH1 ARG A 7 -4.319 -37.766 15.888 1.00 63.42 N ATOM 93 NH2 ARG A 7 -5.540 -38.735 14.195 1.00 11.23 N ATOM 0 H ARG A 7 -8.781 -33.933 15.915 1.00 3.24 H new ATOM 0 HA ARG A 7 -8.152 -32.654 18.494 1.00 4.42 H new ATOM 0 HB2 ARG A 7 -6.956 -34.875 18.861 1.00 3.13 H new ATOM 0 HB3 ARG A 7 -8.709 -34.888 18.857 1.00 3.13 H new ATOM 0 HG2 ARG A 7 -8.112 -36.800 17.618 1.00 12.33 H new ATOM 0 HG3 ARG A 7 -8.567 -35.627 16.398 1.00 12.33 H new ATOM 0 HD2 ARG A 7 -6.157 -35.059 16.068 1.00 15.54 H new ATOM 0 HD3 ARG A 7 -5.721 -36.268 17.259 1.00 15.54 H new ATOM 0 HE ARG A 7 -7.324 -37.151 14.912 1.00 44.12 H new ATOM 0 HH11 ARG A 7 -4.242 -37.091 16.649 1.00 63.42 H new ATOM 0 HH12 ARG A 7 -3.535 -38.381 15.670 1.00 63.42 H new ATOM 0 HH21 ARG A 7 -6.402 -38.804 13.654 1.00 11.23 H new ATOM 0 HH22 ARG A 7 -4.753 -39.348 13.982 1.00 11.23 H new ATOM 107 N ALA A 8 -5.498 -32.863 18.149 1.00 64.41 N ATOM 108 CA ALA A 8 -4.154 -32.416 17.831 1.00 35.11 C ATOM 109 C ALA A 8 -3.137 -32.950 18.822 1.00 1.02 C ATOM 110 O ALA A 8 -3.376 -32.975 20.029 1.00 53.42 O ATOM 111 CB ALA A 8 -4.094 -30.893 17.804 1.00 25.13 C ATOM 0 H ALA A 8 -5.627 -33.177 19.111 1.00 64.41 H new ATOM 0 HA ALA A 8 -3.905 -32.807 16.845 1.00 35.11 H new ATOM 0 HB1 ALA A 8 -3.080 -30.573 17.564 1.00 25.13 H new ATOM 0 HB2 ALA A 8 -4.782 -30.515 17.048 1.00 25.13 H new ATOM 0 HB3 ALA A 8 -4.377 -30.500 18.781 1.00 25.13 H new ATOM 117 N THR A 9 -2.024 -33.405 18.293 1.00 1.52 N ATOM 118 CA THR A 9 -0.909 -33.894 19.079 1.00 22.44 C ATOM 119 C THR A 9 0.364 -33.771 18.258 1.00 45.44 C ATOM 120 O THR A 9 0.397 -34.199 17.104 1.00 61.32 O ATOM 121 CB THR A 9 -1.110 -35.369 19.518 1.00 53.50 C ATOM 122 OG1 THR A 9 -2.276 -35.469 20.352 1.00 50.11 O ATOM 123 CG2 THR A 9 0.102 -35.885 20.285 1.00 14.42 C ATOM 0 H THR A 9 -1.863 -33.447 17.287 1.00 1.52 H new ATOM 0 HA THR A 9 -0.840 -33.291 19.985 1.00 22.44 H new ATOM 0 HB THR A 9 -1.237 -35.976 18.622 1.00 53.50 H new ATOM 0 HG1 THR A 9 -2.700 -34.589 20.429 1.00 50.11 H new ATOM 0 HG21 THR A 9 -0.068 -36.921 20.580 1.00 14.42 H new ATOM 0 HG22 THR A 9 0.986 -35.829 19.649 1.00 14.42 H new ATOM 0 HG23 THR A 9 0.256 -35.275 21.175 1.00 14.42 H new ATOM 131 N GLY A 10 1.387 -33.159 18.836 1.00 65.12 N ATOM 132 CA GLY A 10 2.644 -32.980 18.137 1.00 54.15 C ATOM 133 C GLY A 10 3.268 -34.299 17.728 1.00 35.01 C ATOM 134 O GLY A 10 3.598 -35.122 18.588 1.00 51.11 O ATOM 0 H GLY A 10 1.369 -32.781 19.783 1.00 65.12 H new ATOM 0 HA2 GLY A 10 2.480 -32.368 17.250 1.00 54.15 H new ATOM 0 HA3 GLY A 10 3.338 -32.435 18.777 1.00 54.15 H new ATOM 138 N PRO A 11 3.431 -34.535 16.420 1.00 2.22 N ATOM 139 CA PRO A 11 4.013 -35.764 15.910 1.00 31.04 C ATOM 140 C PRO A 11 5.539 -35.697 15.863 1.00 43.41 C ATOM 141 O PRO A 11 6.151 -34.771 16.412 1.00 33.14 O ATOM 142 CB PRO A 11 3.440 -35.839 14.497 1.00 34.22 C ATOM 143 CG PRO A 11 3.319 -34.413 14.071 1.00 64.51 C ATOM 144 CD PRO A 11 3.048 -33.614 15.326 1.00 40.32 C ATOM 0 HA PRO A 11 3.784 -36.629 16.532 1.00 31.04 H new ATOM 0 HB2 PRO A 11 4.097 -36.399 13.831 1.00 34.22 H new ATOM 0 HB3 PRO A 11 2.472 -36.341 14.486 1.00 34.22 H new ATOM 0 HG2 PRO A 11 4.234 -34.074 13.585 1.00 64.51 H new ATOM 0 HG3 PRO A 11 2.511 -34.290 13.350 1.00 64.51 H new ATOM 0 HD2 PRO A 11 3.636 -32.697 15.351 1.00 40.32 H new ATOM 0 HD3 PRO A 11 2.000 -33.323 15.397 1.00 40.32 H new ATOM 152 N ALA A 12 6.138 -36.670 15.203 1.00 72.13 N ATOM 153 CA ALA A 12 7.577 -36.746 15.052 1.00 35.21 C ATOM 154 C ALA A 12 7.915 -37.715 13.940 1.00 52.23 C ATOM 155 O ALA A 12 7.168 -38.660 13.686 1.00 21.43 O ATOM 156 CB ALA A 12 8.235 -37.186 16.355 1.00 32.12 C ATOM 0 H ALA A 12 5.635 -37.435 14.754 1.00 72.13 H new ATOM 0 HA ALA A 12 7.959 -35.757 14.799 1.00 35.21 H new ATOM 0 HB1 ALA A 12 9.315 -37.236 16.218 1.00 32.12 H new ATOM 0 HB2 ALA A 12 8.002 -36.468 17.141 1.00 32.12 H new ATOM 0 HB3 ALA A 12 7.859 -38.169 16.639 1.00 32.12 H new ATOM 162 N LEU A 13 9.018 -37.477 13.271 1.00 31.04 N ATOM 163 CA LEU A 13 9.434 -38.319 12.168 1.00 74.23 C ATOM 164 C LEU A 13 10.926 -38.203 11.961 1.00 0.45 C ATOM 165 O LEU A 13 11.529 -37.184 12.304 1.00 3.24 O ATOM 166 CB LEU A 13 8.689 -37.945 10.864 1.00 12.44 C ATOM 167 CG LEU A 13 8.978 -36.549 10.272 1.00 73.13 C ATOM 168 CD1 LEU A 13 8.467 -36.470 8.848 1.00 44.33 C ATOM 169 CD2 LEU A 13 8.336 -35.449 11.111 1.00 45.44 C ATOM 0 H LEU A 13 9.650 -36.702 13.471 1.00 31.04 H new ATOM 0 HA LEU A 13 9.183 -39.350 12.418 1.00 74.23 H new ATOM 0 HB2 LEU A 13 8.932 -38.691 10.108 1.00 12.44 H new ATOM 0 HB3 LEU A 13 7.618 -38.019 11.052 1.00 12.44 H new ATOM 0 HG LEU A 13 10.058 -36.399 10.279 1.00 73.13 H new ATOM 0 HD11 LEU A 13 8.676 -35.481 8.441 1.00 44.33 H new ATOM 0 HD12 LEU A 13 8.965 -37.226 8.240 1.00 44.33 H new ATOM 0 HD13 LEU A 13 7.391 -36.647 8.837 1.00 44.33 H new ATOM 0 HD21 LEU A 13 8.557 -34.478 10.669 1.00 45.44 H new ATOM 0 HD22 LEU A 13 7.256 -35.597 11.140 1.00 45.44 H new ATOM 0 HD23 LEU A 13 8.735 -35.485 12.125 1.00 45.44 H new ATOM 181 N THR A 14 11.522 -39.231 11.416 1.00 43.53 N ATOM 182 CA THR A 14 12.942 -39.225 11.166 1.00 50.40 C ATOM 183 C THR A 14 13.240 -38.575 9.812 1.00 51.52 C ATOM 184 O THR A 14 12.554 -38.844 8.823 1.00 24.21 O ATOM 185 CB THR A 14 13.537 -40.667 11.215 1.00 12.21 C ATOM 186 OG1 THR A 14 14.960 -40.639 10.983 1.00 13.15 O ATOM 187 CG2 THR A 14 12.872 -41.576 10.188 1.00 13.22 C ATOM 0 H THR A 14 11.045 -40.088 11.135 1.00 43.53 H new ATOM 0 HA THR A 14 13.417 -38.641 11.954 1.00 50.40 H new ATOM 0 HB THR A 14 13.342 -41.066 12.211 1.00 12.21 H new ATOM 0 HG1 THR A 14 15.315 -41.552 11.019 1.00 13.15 H new ATOM 0 HG21 THR A 14 13.309 -42.573 10.248 1.00 13.22 H new ATOM 0 HG22 THR A 14 11.803 -41.635 10.393 1.00 13.22 H new ATOM 0 HG23 THR A 14 13.028 -41.171 9.188 1.00 13.22 H new ATOM 195 N PRO A 15 14.228 -37.664 9.761 1.00 11.03 N ATOM 196 CA PRO A 15 14.643 -37.028 8.511 1.00 15.12 C ATOM 197 C PRO A 15 15.158 -38.061 7.516 1.00 74.32 C ATOM 198 O PRO A 15 15.960 -38.933 7.872 1.00 44.24 O ATOM 199 CB PRO A 15 15.779 -36.088 8.938 1.00 24.21 C ATOM 200 CG PRO A 15 15.580 -35.887 10.400 1.00 71.00 C ATOM 201 CD PRO A 15 14.998 -37.169 10.913 1.00 24.30 C ATOM 0 HA PRO A 15 13.822 -36.511 8.015 1.00 15.12 H new ATOM 0 HB2 PRO A 15 16.755 -36.527 8.729 1.00 24.21 H new ATOM 0 HB3 PRO A 15 15.733 -35.142 8.399 1.00 24.21 H new ATOM 0 HG2 PRO A 15 16.524 -35.660 10.896 1.00 71.00 H new ATOM 0 HG3 PRO A 15 14.910 -35.049 10.592 1.00 71.00 H new ATOM 0 HD2 PRO A 15 15.774 -37.873 11.213 1.00 24.30 H new ATOM 0 HD3 PRO A 15 14.363 -37.005 11.783 1.00 24.30 H new ATOM 209 N LEU A 16 14.689 -37.978 6.285 1.00 1.24 N ATOM 210 CA LEU A 16 15.098 -38.915 5.253 1.00 61.32 C ATOM 211 C LEU A 16 16.485 -38.578 4.726 1.00 40.41 C ATOM 212 O LEU A 16 16.628 -37.853 3.737 1.00 62.21 O ATOM 213 CB LEU A 16 14.084 -38.963 4.094 1.00 63.33 C ATOM 214 CG LEU A 16 12.783 -39.748 4.350 1.00 31.50 C ATOM 215 CD1 LEU A 16 11.916 -39.065 5.393 1.00 45.22 C ATOM 216 CD2 LEU A 16 12.010 -39.935 3.055 1.00 60.32 C ATOM 0 H LEU A 16 14.023 -37.270 5.974 1.00 1.24 H new ATOM 0 HA LEU A 16 15.131 -39.903 5.712 1.00 61.32 H new ATOM 0 HB2 LEU A 16 13.818 -37.939 3.831 1.00 63.33 H new ATOM 0 HB3 LEU A 16 14.579 -39.397 3.225 1.00 63.33 H new ATOM 0 HG LEU A 16 13.059 -40.728 4.739 1.00 31.50 H new ATOM 0 HD11 LEU A 16 11.007 -39.646 5.548 1.00 45.22 H new ATOM 0 HD12 LEU A 16 12.465 -38.993 6.332 1.00 45.22 H new ATOM 0 HD13 LEU A 16 11.653 -38.065 5.049 1.00 45.22 H new ATOM 0 HD21 LEU A 16 11.094 -40.491 3.255 1.00 60.32 H new ATOM 0 HD22 LEU A 16 11.758 -38.960 2.637 1.00 60.32 H new ATOM 0 HD23 LEU A 16 12.622 -40.488 2.342 1.00 60.32 H new ATOM 228 N VAL A 17 17.499 -39.061 5.408 1.00 62.21 N ATOM 229 CA VAL A 17 18.862 -38.846 4.984 1.00 13.03 C ATOM 230 C VAL A 17 19.350 -40.027 4.135 1.00 74.10 C ATOM 231 O VAL A 17 19.836 -41.037 4.646 1.00 44.52 O ATOM 232 CB VAL A 17 19.817 -38.567 6.185 1.00 70.14 C ATOM 233 CG1 VAL A 17 19.763 -39.677 7.229 1.00 15.42 C ATOM 234 CG2 VAL A 17 21.243 -38.344 5.699 1.00 2.34 C ATOM 0 H VAL A 17 17.403 -39.608 6.263 1.00 62.21 H new ATOM 0 HA VAL A 17 18.879 -37.949 4.365 1.00 13.03 H new ATOM 0 HB VAL A 17 19.471 -37.655 6.670 1.00 70.14 H new ATOM 0 HG11 VAL A 17 20.444 -39.441 8.047 1.00 15.42 H new ATOM 0 HG12 VAL A 17 18.748 -39.764 7.616 1.00 15.42 H new ATOM 0 HG13 VAL A 17 20.059 -40.621 6.772 1.00 15.42 H new ATOM 0 HG21 VAL A 17 21.892 -38.151 6.553 1.00 2.34 H new ATOM 0 HG22 VAL A 17 21.591 -39.232 5.172 1.00 2.34 H new ATOM 0 HG23 VAL A 17 21.268 -37.489 5.024 1.00 2.34 H new ATOM 244 N VAL A 18 19.172 -39.907 2.840 1.00 53.23 N ATOM 245 CA VAL A 18 19.556 -40.954 1.921 1.00 74.52 C ATOM 246 C VAL A 18 19.855 -40.359 0.550 1.00 11.13 C ATOM 247 O VAL A 18 19.315 -39.309 0.191 1.00 11.03 O ATOM 248 CB VAL A 18 18.438 -42.039 1.808 1.00 41.54 C ATOM 249 CG1 VAL A 18 17.170 -41.467 1.184 1.00 11.04 C ATOM 250 CG2 VAL A 18 18.925 -43.261 1.036 1.00 61.01 C ATOM 0 H VAL A 18 18.760 -39.087 2.396 1.00 53.23 H new ATOM 0 HA VAL A 18 20.455 -41.435 2.306 1.00 74.52 H new ATOM 0 HB VAL A 18 18.194 -42.361 2.820 1.00 41.54 H new ATOM 0 HG11 VAL A 18 16.412 -42.248 1.120 1.00 11.04 H new ATOM 0 HG12 VAL A 18 16.798 -40.649 1.801 1.00 11.04 H new ATOM 0 HG13 VAL A 18 17.393 -41.094 0.184 1.00 11.04 H new ATOM 0 HG21 VAL A 18 18.123 -43.997 0.976 1.00 61.01 H new ATOM 0 HG22 VAL A 18 19.220 -42.962 0.030 1.00 61.01 H new ATOM 0 HG23 VAL A 18 19.781 -43.699 1.550 1.00 61.01 H new ATOM 260 N ALA A 19 20.705 -41.026 -0.201 1.00 14.12 N ATOM 261 CA ALA A 19 21.093 -40.576 -1.521 1.00 70.43 C ATOM 262 C ALA A 19 21.742 -41.722 -2.270 1.00 31.44 C ATOM 263 O ALA A 19 22.029 -42.763 -1.679 1.00 74.15 O ATOM 264 CB ALA A 19 22.055 -39.399 -1.415 1.00 15.40 C ATOM 0 H ALA A 19 21.148 -41.898 0.087 1.00 14.12 H new ATOM 0 HA ALA A 19 20.208 -40.246 -2.065 1.00 70.43 H new ATOM 0 HB1 ALA A 19 22.339 -39.070 -2.415 1.00 15.40 H new ATOM 0 HB2 ALA A 19 21.569 -38.578 -0.887 1.00 15.40 H new ATOM 0 HB3 ALA A 19 22.946 -39.706 -0.867 1.00 15.40 H new ATOM 270 N ALA A 20 21.983 -41.534 -3.551 1.00 62.04 N ATOM 271 CA ALA A 20 22.582 -42.570 -4.375 1.00 11.41 C ATOM 272 C ALA A 20 23.081 -41.987 -5.678 1.00 32.10 C ATOM 273 O ALA A 20 22.333 -41.313 -6.392 1.00 70.55 O ATOM 274 CB ALA A 20 21.575 -43.683 -4.650 1.00 42.14 C ATOM 0 H ALA A 20 21.773 -40.669 -4.049 1.00 62.04 H new ATOM 0 HA ALA A 20 23.429 -42.991 -3.833 1.00 11.41 H new ATOM 0 HB1 ALA A 20 22.041 -44.450 -5.268 1.00 42.14 H new ATOM 0 HB2 ALA A 20 21.253 -44.124 -3.706 1.00 42.14 H new ATOM 0 HB3 ALA A 20 20.711 -43.271 -5.172 1.00 42.14 H new ATOM 280 N ALA A 21 24.341 -42.245 -5.984 1.00 32.14 N ATOM 281 CA ALA A 21 24.966 -41.747 -7.195 1.00 2.55 C ATOM 282 C ALA A 21 26.319 -42.401 -7.387 1.00 4.52 C ATOM 283 O ALA A 21 26.779 -43.154 -6.524 1.00 71.32 O ATOM 284 CB ALA A 21 25.124 -40.231 -7.134 1.00 34.14 C ATOM 0 H ALA A 21 24.959 -42.806 -5.398 1.00 32.14 H new ATOM 0 HA ALA A 21 24.326 -41.995 -8.041 1.00 2.55 H new ATOM 0 HB1 ALA A 21 25.595 -39.877 -8.051 1.00 34.14 H new ATOM 0 HB2 ALA A 21 24.144 -39.767 -7.027 1.00 34.14 H new ATOM 0 HB3 ALA A 21 25.747 -39.964 -6.280 1.00 34.14 H new ATOM 290 N ALA A 22 26.955 -42.107 -8.505 1.00 74.11 N ATOM 291 CA ALA A 22 28.263 -42.651 -8.822 1.00 43.22 C ATOM 292 C ALA A 22 28.881 -41.876 -9.960 1.00 60.43 C ATOM 293 O ALA A 22 28.202 -41.534 -10.928 1.00 13.25 O ATOM 294 CB ALA A 22 28.160 -44.130 -9.183 1.00 61.24 C ATOM 0 H ALA A 22 26.580 -41.484 -9.220 1.00 74.11 H new ATOM 0 HA ALA A 22 28.900 -42.559 -7.942 1.00 43.22 H new ATOM 0 HB1 ALA A 22 29.152 -44.517 -9.417 1.00 61.24 H new ATOM 0 HB2 ALA A 22 27.744 -44.682 -8.340 1.00 61.24 H new ATOM 0 HB3 ALA A 22 27.510 -44.248 -10.050 1.00 61.24 H new ATOM 300 N THR A 23 30.154 -41.585 -9.838 1.00 25.23 N ATOM 301 CA THR A 23 30.853 -40.844 -10.854 1.00 25.20 C ATOM 302 C THR A 23 31.325 -41.773 -11.971 1.00 12.44 C ATOM 303 O THR A 23 31.991 -42.784 -11.716 1.00 21.52 O ATOM 304 CB THR A 23 32.054 -40.090 -10.260 1.00 71.43 C ATOM 305 OG1 THR A 23 31.607 -39.240 -9.193 1.00 42.13 O ATOM 306 CG2 THR A 23 32.733 -39.245 -11.321 1.00 72.53 C ATOM 0 H THR A 23 30.728 -41.853 -9.039 1.00 25.23 H new ATOM 0 HA THR A 23 30.157 -40.115 -11.270 1.00 25.20 H new ATOM 0 HB THR A 23 32.769 -40.820 -9.880 1.00 71.43 H new ATOM 0 HG1 THR A 23 32.373 -38.761 -8.814 1.00 42.13 H new ATOM 0 HG21 THR A 23 33.580 -38.720 -10.880 1.00 72.53 H new ATOM 0 HG22 THR A 23 33.084 -39.888 -12.128 1.00 72.53 H new ATOM 0 HG23 THR A 23 32.023 -38.520 -11.718 1.00 72.53 H new ATOM 314 N SER A 24 30.978 -41.425 -13.198 1.00 63.13 N ATOM 315 CA SER A 24 31.341 -42.212 -14.356 1.00 45.01 C ATOM 316 C SER A 24 31.147 -41.395 -15.623 1.00 1.41 C ATOM 317 O SER A 24 30.047 -40.911 -15.896 1.00 33.03 O ATOM 318 CB SER A 24 30.504 -43.500 -14.408 1.00 10.33 C ATOM 319 OG SER A 24 29.120 -43.228 -14.192 1.00 21.15 O ATOM 0 H SER A 24 30.437 -40.588 -13.416 1.00 63.13 H new ATOM 0 HA SER A 24 32.392 -42.489 -14.280 1.00 45.01 H new ATOM 0 HB2 SER A 24 30.635 -43.983 -15.377 1.00 10.33 H new ATOM 0 HB3 SER A 24 30.862 -44.199 -13.652 1.00 10.33 H new ATOM 0 HG SER A 24 28.861 -42.428 -14.695 1.00 21.15 H new ATOM 325 N ALA A 25 32.212 -41.246 -16.387 1.00 50.03 N ATOM 326 CA ALA A 25 32.192 -40.460 -17.610 1.00 14.11 C ATOM 327 C ALA A 25 33.426 -40.763 -18.433 1.00 41.22 C ATOM 328 O ALA A 25 34.467 -41.131 -17.882 1.00 71.44 O ATOM 329 CB ALA A 25 32.131 -38.972 -17.281 1.00 54.34 C ATOM 0 H ALA A 25 33.118 -41.666 -16.179 1.00 50.03 H new ATOM 0 HA ALA A 25 31.306 -40.724 -18.187 1.00 14.11 H new ATOM 0 HB1 ALA A 25 32.117 -38.395 -18.206 1.00 54.34 H new ATOM 0 HB2 ALA A 25 31.227 -38.763 -16.709 1.00 54.34 H new ATOM 0 HB3 ALA A 25 33.006 -38.693 -16.693 1.00 54.34 H new ATOM 335 N LYS A 26 33.316 -40.623 -19.741 1.00 22.24 N ATOM 336 CA LYS A 26 34.425 -40.924 -20.626 1.00 33.43 C ATOM 337 C LYS A 26 34.239 -40.275 -21.986 1.00 31.30 C ATOM 338 O LYS A 26 33.141 -39.834 -22.337 1.00 3.00 O ATOM 339 CB LYS A 26 34.573 -42.439 -20.801 1.00 33.24 C ATOM 340 CG LYS A 26 33.341 -43.112 -21.387 1.00 61.14 C ATOM 341 CD LYS A 26 33.573 -44.591 -21.616 1.00 13.53 C ATOM 342 CE LYS A 26 32.329 -45.263 -22.167 1.00 75.42 C ATOM 343 NZ LYS A 26 32.543 -46.707 -22.417 1.00 43.24 N ATOM 0 H LYS A 26 32.471 -40.303 -20.213 1.00 22.24 H new ATOM 0 HA LYS A 26 35.328 -40.520 -20.169 1.00 33.43 H new ATOM 0 HB2 LYS A 26 35.427 -42.639 -21.448 1.00 33.24 H new ATOM 0 HB3 LYS A 26 34.795 -42.887 -19.833 1.00 33.24 H new ATOM 0 HG2 LYS A 26 32.495 -42.975 -20.713 1.00 61.14 H new ATOM 0 HG3 LYS A 26 33.078 -42.634 -22.330 1.00 61.14 H new ATOM 0 HD2 LYS A 26 34.402 -44.728 -22.311 1.00 13.53 H new ATOM 0 HD3 LYS A 26 33.861 -45.066 -20.678 1.00 13.53 H new ATOM 0 HE2 LYS A 26 31.506 -45.135 -21.464 1.00 75.42 H new ATOM 0 HE3 LYS A 26 32.034 -44.774 -23.095 1.00 75.42 H new ATOM 0 HZ1 LYS A 26 31.669 -47.128 -22.793 1.00 43.24 H new ATOM 0 HZ2 LYS A 26 33.311 -46.830 -23.108 1.00 43.24 H new ATOM 0 HZ3 LYS A 26 32.799 -47.179 -21.527 1.00 43.24 H new ATOM 357 N VAL A 27 35.314 -40.227 -22.739 1.00 63.23 N ATOM 358 CA VAL A 27 35.301 -39.698 -24.082 1.00 62.51 C ATOM 359 C VAL A 27 36.373 -40.390 -24.924 1.00 51.42 C ATOM 360 O VAL A 27 37.574 -40.133 -24.779 1.00 71.42 O ATOM 361 CB VAL A 27 35.482 -38.149 -24.113 1.00 74.12 C ATOM 362 CG1 VAL A 27 36.677 -37.712 -23.286 1.00 5.54 C ATOM 363 CG2 VAL A 27 35.606 -37.645 -25.548 1.00 50.21 C ATOM 0 H VAL A 27 36.229 -40.557 -22.433 1.00 63.23 H new ATOM 0 HA VAL A 27 34.320 -39.905 -24.509 1.00 62.51 H new ATOM 0 HB VAL A 27 34.591 -37.705 -23.668 1.00 74.12 H new ATOM 0 HG11 VAL A 27 36.773 -36.627 -23.330 1.00 5.54 H new ATOM 0 HG12 VAL A 27 36.536 -38.022 -22.251 1.00 5.54 H new ATOM 0 HG13 VAL A 27 37.582 -38.173 -23.682 1.00 5.54 H new ATOM 0 HG21 VAL A 27 35.731 -36.562 -25.544 1.00 50.21 H new ATOM 0 HG22 VAL A 27 36.471 -38.109 -26.023 1.00 50.21 H new ATOM 0 HG23 VAL A 27 34.705 -37.904 -26.104 1.00 50.21 H new ATOM 373 N GLU A 28 35.937 -41.303 -25.764 1.00 74.05 N ATOM 374 CA GLU A 28 36.842 -42.052 -26.609 1.00 62.35 C ATOM 375 C GLU A 28 37.198 -41.253 -27.851 1.00 5.14 C ATOM 376 O GLU A 28 36.416 -41.174 -28.802 1.00 75.21 O ATOM 377 CB GLU A 28 36.229 -43.397 -26.990 1.00 22.41 C ATOM 378 CG GLU A 28 35.826 -44.240 -25.791 1.00 54.24 C ATOM 379 CD GLU A 28 35.267 -45.582 -26.186 1.00 25.31 C ATOM 380 OE1 GLU A 28 34.148 -45.628 -26.733 1.00 23.11 O ATOM 381 OE2 GLU A 28 35.939 -46.604 -25.943 1.00 35.51 O ATOM 0 H GLU A 28 34.953 -41.546 -25.881 1.00 74.05 H new ATOM 0 HA GLU A 28 37.759 -42.240 -26.050 1.00 62.35 H new ATOM 0 HB2 GLU A 28 35.352 -43.224 -27.614 1.00 22.41 H new ATOM 0 HB3 GLU A 28 36.944 -43.956 -27.593 1.00 22.41 H new ATOM 0 HG2 GLU A 28 36.693 -44.387 -25.147 1.00 54.24 H new ATOM 0 HG3 GLU A 28 35.083 -43.699 -25.205 1.00 54.24 H new ATOM 388 N VAL A 29 38.361 -40.643 -27.829 1.00 64.41 N ATOM 389 CA VAL A 29 38.823 -39.843 -28.942 1.00 3.25 C ATOM 390 C VAL A 29 40.194 -40.329 -29.414 1.00 44.43 C ATOM 391 O VAL A 29 41.039 -40.725 -28.603 1.00 72.01 O ATOM 392 CB VAL A 29 38.874 -38.331 -28.571 1.00 24.53 C ATOM 393 CG1 VAL A 29 39.815 -38.080 -27.399 1.00 54.11 C ATOM 394 CG2 VAL A 29 39.266 -37.483 -29.777 1.00 63.03 C ATOM 0 H VAL A 29 39.011 -40.686 -27.044 1.00 64.41 H new ATOM 0 HA VAL A 29 38.111 -39.960 -29.759 1.00 3.25 H new ATOM 0 HB VAL A 29 37.872 -38.033 -28.262 1.00 24.53 H new ATOM 0 HG11 VAL A 29 39.828 -37.016 -27.165 1.00 54.11 H new ATOM 0 HG12 VAL A 29 39.470 -38.639 -26.529 1.00 54.11 H new ATOM 0 HG13 VAL A 29 40.821 -38.406 -27.664 1.00 54.11 H new ATOM 0 HG21 VAL A 29 39.294 -36.432 -29.489 1.00 63.03 H new ATOM 0 HG22 VAL A 29 40.250 -37.788 -30.132 1.00 63.03 H new ATOM 0 HG23 VAL A 29 38.534 -37.622 -30.573 1.00 63.03 H new ATOM 404 N ASP A 30 40.401 -40.315 -30.719 1.00 12.15 N ATOM 405 CA ASP A 30 41.656 -40.776 -31.307 1.00 31.44 C ATOM 406 C ASP A 30 41.888 -40.120 -32.662 1.00 62.25 C ATOM 407 O ASP A 30 43.020 -40.010 -33.128 1.00 42.43 O ATOM 408 CB ASP A 30 41.648 -42.305 -31.455 1.00 13.42 C ATOM 409 CG ASP A 30 42.954 -42.852 -31.994 1.00 5.42 C ATOM 410 OD1 ASP A 30 43.926 -42.953 -31.217 1.00 3.01 O ATOM 411 OD2 ASP A 30 43.012 -43.195 -33.192 1.00 52.34 O ATOM 0 H ASP A 30 39.714 -39.988 -31.399 1.00 12.15 H new ATOM 0 HA ASP A 30 42.470 -40.491 -30.640 1.00 31.44 H new ATOM 0 HB2 ASP A 30 41.443 -42.758 -30.485 1.00 13.42 H new ATOM 0 HB3 ASP A 30 40.836 -42.596 -32.121 1.00 13.42 H new ATOM 416 N SER A 31 40.812 -39.671 -33.288 1.00 32.53 N ATOM 417 CA SER A 31 40.904 -38.998 -34.571 1.00 40.44 C ATOM 418 C SER A 31 39.820 -37.925 -34.690 1.00 13.33 C ATOM 419 O SER A 31 38.728 -38.179 -35.200 1.00 45.02 O ATOM 420 CB SER A 31 40.787 -40.007 -35.719 1.00 52.13 C ATOM 421 OG SER A 31 41.804 -40.993 -35.633 1.00 70.41 O ATOM 0 H SER A 31 39.863 -39.761 -32.926 1.00 32.53 H new ATOM 0 HA SER A 31 41.879 -38.515 -34.637 1.00 40.44 H new ATOM 0 HB2 SER A 31 39.808 -40.485 -35.690 1.00 52.13 H new ATOM 0 HB3 SER A 31 40.859 -39.487 -36.674 1.00 52.13 H new ATOM 0 HG SER A 31 41.709 -41.627 -36.374 1.00 70.41 H new ATOM 427 N PRO A 32 40.109 -36.721 -34.179 1.00 10.34 N ATOM 428 CA PRO A 32 39.178 -35.594 -34.215 1.00 11.53 C ATOM 429 C PRO A 32 39.197 -34.871 -35.571 1.00 32.00 C ATOM 430 O PRO A 32 40.105 -35.083 -36.381 1.00 74.11 O ATOM 431 CB PRO A 32 39.722 -34.683 -33.115 1.00 23.54 C ATOM 432 CG PRO A 32 41.190 -34.922 -33.129 1.00 45.33 C ATOM 433 CD PRO A 32 41.380 -36.363 -33.513 1.00 2.42 C ATOM 0 HA PRO A 32 38.141 -35.899 -34.073 1.00 11.53 H new ATOM 0 HB2 PRO A 32 39.488 -33.637 -33.313 1.00 23.54 H new ATOM 0 HB3 PRO A 32 39.289 -34.928 -32.145 1.00 23.54 H new ATOM 0 HG2 PRO A 32 41.685 -34.262 -33.841 1.00 45.33 H new ATOM 0 HG3 PRO A 32 41.626 -34.720 -32.151 1.00 45.33 H new ATOM 0 HD2 PRO A 32 42.232 -36.490 -34.181 1.00 2.42 H new ATOM 0 HD3 PRO A 32 41.564 -36.989 -32.640 1.00 2.42 H new ATOM 441 N PRO A 33 38.188 -34.016 -35.839 1.00 65.13 N ATOM 442 CA PRO A 33 38.106 -33.258 -37.091 1.00 15.44 C ATOM 443 C PRO A 33 39.218 -32.220 -37.216 1.00 43.50 C ATOM 444 O PRO A 33 39.588 -31.559 -36.233 1.00 54.53 O ATOM 445 CB PRO A 33 36.738 -32.570 -37.012 1.00 44.01 C ATOM 446 CG PRO A 33 36.431 -32.505 -35.557 1.00 63.41 C ATOM 447 CD PRO A 33 37.043 -33.734 -34.951 1.00 2.24 C ATOM 0 HA PRO A 33 38.220 -33.904 -37.961 1.00 15.44 H new ATOM 0 HB2 PRO A 33 36.769 -31.575 -37.455 1.00 44.01 H new ATOM 0 HB3 PRO A 33 35.979 -33.135 -37.552 1.00 44.01 H new ATOM 0 HG2 PRO A 33 36.846 -31.601 -35.110 1.00 63.41 H new ATOM 0 HG3 PRO A 33 35.355 -32.480 -35.386 1.00 63.41 H new ATOM 0 HD2 PRO A 33 37.364 -33.559 -33.924 1.00 2.24 H new ATOM 0 HD3 PRO A 33 36.338 -34.565 -34.928 1.00 2.24 H new ATOM 455 N ALA A 34 39.747 -32.085 -38.420 1.00 54.42 N ATOM 456 CA ALA A 34 40.809 -31.132 -38.693 1.00 30.45 C ATOM 457 C ALA A 34 40.293 -29.696 -38.586 1.00 0.22 C ATOM 458 O ALA A 34 39.118 -29.431 -38.855 1.00 63.34 O ATOM 459 CB ALA A 34 41.391 -31.388 -40.076 1.00 44.13 C ATOM 0 H ALA A 34 39.455 -32.629 -39.232 1.00 54.42 H new ATOM 0 HA ALA A 34 41.594 -31.263 -37.948 1.00 30.45 H new ATOM 0 HB1 ALA A 34 42.187 -30.670 -40.274 1.00 44.13 H new ATOM 0 HB2 ALA A 34 41.796 -32.399 -40.119 1.00 44.13 H new ATOM 0 HB3 ALA A 34 40.608 -31.278 -40.826 1.00 44.13 H new ATOM 465 N PRO A 35 41.162 -28.752 -38.180 1.00 2.05 N ATOM 466 CA PRO A 35 40.795 -27.332 -38.030 1.00 53.15 C ATOM 467 C PRO A 35 40.652 -26.612 -39.380 1.00 42.34 C ATOM 468 O PRO A 35 41.231 -25.540 -39.598 1.00 50.41 O ATOM 469 CB PRO A 35 41.971 -26.756 -37.240 1.00 5.55 C ATOM 470 CG PRO A 35 43.129 -27.611 -37.617 1.00 5.42 C ATOM 471 CD PRO A 35 42.576 -28.995 -37.819 1.00 10.12 C ATOM 0 HA PRO A 35 39.827 -27.208 -37.545 1.00 53.15 H new ATOM 0 HB2 PRO A 35 42.148 -25.712 -37.497 1.00 5.55 H new ATOM 0 HB3 PRO A 35 41.784 -26.792 -36.167 1.00 5.55 H new ATOM 0 HG2 PRO A 35 43.604 -27.244 -38.527 1.00 5.42 H new ATOM 0 HG3 PRO A 35 43.889 -27.605 -36.836 1.00 5.42 H new ATOM 0 HD2 PRO A 35 43.106 -29.528 -38.608 1.00 10.12 H new ATOM 0 HD3 PRO A 35 42.662 -29.598 -36.915 1.00 10.12 H new ATOM 479 N VAL A 36 39.871 -27.194 -40.268 1.00 12.14 N ATOM 480 CA VAL A 36 39.634 -26.618 -41.578 1.00 4.43 C ATOM 481 C VAL A 36 38.520 -25.584 -41.516 1.00 53.54 C ATOM 482 O VAL A 36 37.492 -25.810 -40.872 1.00 64.44 O ATOM 483 CB VAL A 36 39.279 -27.700 -42.627 1.00 43.45 C ATOM 484 CG1 VAL A 36 40.485 -28.568 -42.922 1.00 10.42 C ATOM 485 CG2 VAL A 36 38.118 -28.558 -42.148 1.00 0.32 C ATOM 0 H VAL A 36 39.385 -28.075 -40.104 1.00 12.14 H new ATOM 0 HA VAL A 36 40.561 -26.135 -41.887 1.00 4.43 H new ATOM 0 HB VAL A 36 38.977 -27.196 -43.545 1.00 43.45 H new ATOM 0 HG11 VAL A 36 40.218 -29.323 -43.661 1.00 10.42 H new ATOM 0 HG12 VAL A 36 41.293 -27.948 -43.312 1.00 10.42 H new ATOM 0 HG13 VAL A 36 40.814 -29.058 -42.005 1.00 10.42 H new ATOM 0 HG21 VAL A 36 37.887 -29.311 -42.902 1.00 0.32 H new ATOM 0 HG22 VAL A 36 38.390 -29.051 -41.215 1.00 0.32 H new ATOM 0 HG23 VAL A 36 37.244 -27.928 -41.984 1.00 0.32 H new ATOM 495 N THR A 37 38.738 -24.452 -42.176 1.00 22.23 N ATOM 496 CA THR A 37 37.777 -23.357 -42.195 1.00 13.11 C ATOM 497 C THR A 37 37.438 -22.910 -40.770 1.00 71.02 C ATOM 498 O THR A 37 36.412 -23.290 -40.206 1.00 40.42 O ATOM 499 CB THR A 37 36.486 -23.747 -42.953 1.00 71.13 C ATOM 500 OG1 THR A 37 36.832 -24.336 -44.220 1.00 51.14 O ATOM 501 CG2 THR A 37 35.608 -22.523 -43.194 1.00 11.11 C ATOM 0 H THR A 37 39.586 -24.268 -42.713 1.00 22.23 H new ATOM 0 HA THR A 37 38.240 -22.525 -42.725 1.00 13.11 H new ATOM 0 HB THR A 37 35.932 -24.463 -42.345 1.00 71.13 H new ATOM 0 HG1 THR A 37 36.014 -24.585 -44.699 1.00 51.14 H new ATOM 0 HG21 THR A 37 34.706 -22.822 -43.728 1.00 11.11 H new ATOM 0 HG22 THR A 37 35.333 -22.079 -42.237 1.00 11.11 H new ATOM 0 HG23 THR A 37 36.157 -21.793 -43.789 1.00 11.11 H new ATOM 509 N HIS A 38 38.321 -22.129 -40.186 1.00 62.13 N ATOM 510 CA HIS A 38 38.135 -21.664 -38.826 1.00 75.05 C ATOM 511 C HIS A 38 37.893 -20.161 -38.786 1.00 35.31 C ATOM 512 O HIS A 38 38.785 -19.365 -39.068 1.00 71.12 O ATOM 513 CB HIS A 38 39.332 -22.065 -37.925 1.00 22.52 C ATOM 514 CG HIS A 38 40.686 -21.645 -38.440 1.00 12.44 C ATOM 515 ND1 HIS A 38 41.263 -20.430 -38.147 1.00 75.51 N ATOM 516 CD2 HIS A 38 41.573 -22.296 -39.229 1.00 24.41 C ATOM 517 CE1 HIS A 38 42.439 -20.351 -38.732 1.00 31.32 C ATOM 518 NE2 HIS A 38 42.652 -21.469 -39.395 1.00 31.25 N ATOM 0 H HIS A 38 39.178 -21.801 -40.632 1.00 62.13 H new ATOM 0 HA HIS A 38 37.246 -22.153 -38.429 1.00 75.05 H new ATOM 0 HB2 HIS A 38 39.185 -21.630 -36.936 1.00 22.52 H new ATOM 0 HB3 HIS A 38 39.327 -23.148 -37.801 1.00 22.52 H new ATOM 0 HD2 HIS A 38 41.452 -23.284 -39.649 1.00 24.41 H new ATOM 0 HE1 HIS A 38 43.116 -19.511 -38.678 1.00 31.32 H new ATOM 0 HE2 HIS A 38 43.485 -21.684 -39.943 1.00 31.25 H new ATOM 527 N GLY A 39 36.677 -19.785 -38.461 1.00 43.43 N ATOM 528 CA GLY A 39 36.334 -18.389 -38.366 1.00 75.00 C ATOM 529 C GLY A 39 36.283 -17.926 -36.931 1.00 41.34 C ATOM 530 O GLY A 39 35.824 -18.664 -36.050 1.00 14.13 O ATOM 0 H GLY A 39 35.911 -20.428 -38.259 1.00 43.43 H new ATOM 0 HA2 GLY A 39 37.066 -17.796 -38.914 1.00 75.00 H new ATOM 0 HA3 GLY A 39 35.367 -18.218 -38.839 1.00 75.00 H new ATOM 534 N ALA A 40 36.758 -16.717 -36.689 1.00 55.22 N ATOM 535 CA ALA A 40 36.779 -16.153 -35.349 1.00 74.14 C ATOM 536 C ALA A 40 35.370 -15.812 -34.876 1.00 75.43 C ATOM 537 O ALA A 40 34.410 -15.875 -35.651 1.00 10.31 O ATOM 538 CB ALA A 40 37.667 -14.916 -35.313 1.00 64.10 C ATOM 0 H ALA A 40 37.137 -16.102 -37.409 1.00 55.22 H new ATOM 0 HA ALA A 40 37.189 -16.901 -34.670 1.00 74.14 H new ATOM 0 HB1 ALA A 40 37.675 -14.503 -34.304 1.00 64.10 H new ATOM 0 HB2 ALA A 40 38.682 -15.188 -35.601 1.00 64.10 H new ATOM 0 HB3 ALA A 40 37.280 -14.170 -36.008 1.00 64.10 H new ATOM 544 N ALA A 41 35.253 -15.436 -33.614 1.00 52.05 N ATOM 545 CA ALA A 41 33.969 -15.092 -33.035 1.00 34.10 C ATOM 546 C ALA A 41 34.161 -14.286 -31.764 1.00 75.51 C ATOM 547 O ALA A 41 35.068 -14.560 -30.969 1.00 72.40 O ATOM 548 CB ALA A 41 33.159 -16.351 -32.745 1.00 2.00 C ATOM 0 H ALA A 41 36.039 -15.361 -32.968 1.00 52.05 H new ATOM 0 HA ALA A 41 33.419 -14.484 -33.754 1.00 34.10 H new ATOM 0 HB1 ALA A 41 32.198 -16.074 -32.311 1.00 2.00 H new ATOM 0 HB2 ALA A 41 32.993 -16.899 -33.673 1.00 2.00 H new ATOM 0 HB3 ALA A 41 33.705 -16.982 -32.044 1.00 2.00 H new ATOM 554 N MET A 42 33.316 -13.289 -31.581 1.00 33.33 N ATOM 555 CA MET A 42 33.381 -12.423 -30.417 1.00 14.45 C ATOM 556 C MET A 42 32.021 -11.773 -30.177 1.00 64.43 C ATOM 557 O MET A 42 31.311 -11.457 -31.130 1.00 0.22 O ATOM 558 CB MET A 42 34.460 -11.343 -30.613 1.00 24.41 C ATOM 559 CG MET A 42 34.174 -10.378 -31.755 1.00 11.23 C ATOM 560 SD MET A 42 35.544 -9.252 -32.080 1.00 4.31 S ATOM 561 CE MET A 42 36.791 -10.398 -32.673 1.00 24.03 C ATOM 0 H MET A 42 32.567 -13.056 -32.233 1.00 33.33 H new ATOM 0 HA MET A 42 33.646 -13.023 -29.546 1.00 14.45 H new ATOM 0 HB2 MET A 42 34.562 -10.775 -29.688 1.00 24.41 H new ATOM 0 HB3 MET A 42 35.418 -11.830 -30.795 1.00 24.41 H new ATOM 0 HG2 MET A 42 33.955 -10.947 -32.659 1.00 11.23 H new ATOM 0 HG3 MET A 42 33.282 -9.798 -31.519 1.00 11.23 H new ATOM 0 HE1 MET A 42 37.528 -9.858 -33.268 1.00 24.03 H new ATOM 0 HE2 MET A 42 37.285 -10.869 -31.824 1.00 24.03 H new ATOM 0 HE3 MET A 42 36.318 -11.164 -33.288 1.00 24.03 H new ATOM 571 N PRO A 43 31.628 -11.576 -28.909 1.00 44.33 N ATOM 572 CA PRO A 43 30.354 -10.948 -28.573 1.00 24.44 C ATOM 573 C PRO A 43 30.389 -9.440 -28.805 1.00 11.33 C ATOM 574 O PRO A 43 31.180 -8.722 -28.181 1.00 73.53 O ATOM 575 CB PRO A 43 30.174 -11.248 -27.068 1.00 72.35 C ATOM 576 CG PRO A 43 31.288 -12.179 -26.704 1.00 14.13 C ATOM 577 CD PRO A 43 32.376 -11.947 -27.707 1.00 63.34 C ATOM 0 HA PRO A 43 29.540 -11.328 -29.191 1.00 24.44 H new ATOM 0 HB2 PRO A 43 30.220 -10.333 -26.478 1.00 72.35 H new ATOM 0 HB3 PRO A 43 29.203 -11.704 -26.873 1.00 72.35 H new ATOM 0 HG2 PRO A 43 31.644 -11.983 -25.693 1.00 14.13 H new ATOM 0 HG3 PRO A 43 30.952 -13.216 -26.728 1.00 14.13 H new ATOM 0 HD2 PRO A 43 33.056 -11.155 -27.392 1.00 63.34 H new ATOM 0 HD3 PRO A 43 32.979 -12.841 -27.865 1.00 63.34 H new ATOM 585 N THR A 44 29.556 -8.967 -29.711 1.00 70.45 N ATOM 586 CA THR A 44 29.479 -7.549 -30.001 1.00 41.41 C ATOM 587 C THR A 44 28.490 -6.863 -29.068 1.00 55.31 C ATOM 588 O THR A 44 28.655 -5.694 -28.712 1.00 5.51 O ATOM 589 CB THR A 44 29.078 -7.294 -31.468 1.00 0.14 C ATOM 590 OG1 THR A 44 27.933 -8.089 -31.814 1.00 71.51 O ATOM 591 CG2 THR A 44 30.230 -7.622 -32.406 1.00 4.33 C ATOM 0 H THR A 44 28.921 -9.546 -30.261 1.00 70.45 H new ATOM 0 HA THR A 44 30.472 -7.129 -29.840 1.00 41.41 H new ATOM 0 HB THR A 44 28.829 -6.238 -31.574 1.00 0.14 H new ATOM 0 HG1 THR A 44 27.686 -7.918 -32.747 1.00 71.51 H new ATOM 0 HG21 THR A 44 29.925 -7.435 -33.436 1.00 4.33 H new ATOM 0 HG22 THR A 44 31.088 -6.995 -32.162 1.00 4.33 H new ATOM 0 HG23 THR A 44 30.503 -8.671 -32.293 1.00 4.33 H new ATOM 599 N LEU A 45 27.468 -7.604 -28.673 1.00 24.44 N ATOM 600 CA LEU A 45 26.450 -7.107 -27.764 1.00 73.25 C ATOM 601 C LEU A 45 26.920 -7.231 -26.310 1.00 71.51 C ATOM 602 O LEU A 45 28.115 -7.410 -26.048 1.00 63.12 O ATOM 603 CB LEU A 45 25.148 -7.891 -27.966 1.00 14.22 C ATOM 604 CG LEU A 45 24.558 -7.858 -29.380 1.00 42.42 C ATOM 605 CD1 LEU A 45 23.335 -8.752 -29.466 1.00 53.02 C ATOM 606 CD2 LEU A 45 24.206 -6.434 -29.782 1.00 30.13 C ATOM 0 H LEU A 45 27.321 -8.567 -28.974 1.00 24.44 H new ATOM 0 HA LEU A 45 26.272 -6.053 -27.979 1.00 73.25 H new ATOM 0 HB2 LEU A 45 25.327 -8.931 -27.692 1.00 14.22 H new ATOM 0 HB3 LEU A 45 24.402 -7.503 -27.273 1.00 14.22 H new ATOM 0 HG LEU A 45 25.310 -8.233 -30.074 1.00 42.42 H new ATOM 0 HD11 LEU A 45 22.929 -8.717 -30.477 1.00 53.02 H new ATOM 0 HD12 LEU A 45 23.616 -9.777 -29.223 1.00 53.02 H new ATOM 0 HD13 LEU A 45 22.581 -8.406 -28.760 1.00 53.02 H new ATOM 0 HD21 LEU A 45 23.789 -6.433 -30.789 1.00 30.13 H new ATOM 0 HD22 LEU A 45 23.472 -6.030 -29.085 1.00 30.13 H new ATOM 0 HD23 LEU A 45 25.105 -5.817 -29.761 1.00 30.13 H new ATOM 618 N SER A 46 25.972 -7.112 -25.375 1.00 72.04 N ATOM 619 CA SER A 46 26.241 -7.248 -23.941 1.00 62.23 C ATOM 620 C SER A 46 27.025 -6.055 -23.395 1.00 61.52 C ATOM 621 O SER A 46 27.728 -6.167 -22.390 1.00 40.41 O ATOM 622 CB SER A 46 26.969 -8.570 -23.640 1.00 3.42 C ATOM 623 OG SER A 46 26.166 -9.687 -24.011 1.00 62.34 O ATOM 0 H SER A 46 24.994 -6.918 -25.592 1.00 72.04 H new ATOM 0 HA SER A 46 25.278 -7.265 -23.430 1.00 62.23 H new ATOM 0 HB2 SER A 46 27.915 -8.601 -24.181 1.00 3.42 H new ATOM 0 HB3 SER A 46 27.208 -8.625 -22.578 1.00 3.42 H new ATOM 0 HG SER A 46 26.648 -10.517 -23.813 1.00 62.34 H new ATOM 629 N SER A 47 26.883 -4.913 -24.045 1.00 62.45 N ATOM 630 CA SER A 47 27.557 -3.712 -23.604 1.00 20.31 C ATOM 631 C SER A 47 26.558 -2.583 -23.392 1.00 13.24 C ATOM 632 O SER A 47 26.081 -1.965 -24.350 1.00 3.34 O ATOM 633 CB SER A 47 28.636 -3.287 -24.603 1.00 50.21 C ATOM 634 OG SER A 47 29.349 -2.152 -24.133 1.00 61.45 O ATOM 0 H SER A 47 26.307 -4.796 -24.879 1.00 62.45 H new ATOM 0 HA SER A 47 28.042 -3.931 -22.653 1.00 20.31 H new ATOM 0 HB2 SER A 47 29.328 -4.112 -24.768 1.00 50.21 H new ATOM 0 HB3 SER A 47 28.176 -3.059 -25.565 1.00 50.21 H new ATOM 0 HG SER A 47 28.795 -1.351 -24.239 1.00 61.45 H new ATOM 640 N ALA A 48 26.217 -2.340 -22.141 1.00 45.01 N ATOM 641 CA ALA A 48 25.312 -1.264 -21.793 1.00 71.24 C ATOM 642 C ALA A 48 26.053 0.063 -21.821 1.00 34.44 C ATOM 643 O ALA A 48 25.461 1.114 -22.073 1.00 4.24 O ATOM 644 CB ALA A 48 24.699 -1.506 -20.421 1.00 53.51 C ATOM 0 H ALA A 48 26.557 -2.878 -21.344 1.00 45.01 H new ATOM 0 HA ALA A 48 24.505 -1.231 -22.524 1.00 71.24 H new ATOM 0 HB1 ALA A 48 24.022 -0.688 -20.176 1.00 53.51 H new ATOM 0 HB2 ALA A 48 24.145 -2.445 -20.430 1.00 53.51 H new ATOM 0 HB3 ALA A 48 25.490 -1.559 -19.673 1.00 53.51 H new ATOM 650 N THR A 49 27.361 -0.005 -21.571 1.00 3.41 N ATOM 651 CA THR A 49 28.224 1.163 -21.555 1.00 41.11 C ATOM 652 C THR A 49 27.701 2.214 -20.570 1.00 60.45 C ATOM 653 O THR A 49 27.202 3.277 -20.966 1.00 71.41 O ATOM 654 CB THR A 49 28.376 1.779 -22.963 1.00 5.43 C ATOM 655 OG1 THR A 49 28.702 0.742 -23.912 1.00 52.35 O ATOM 656 CG2 THR A 49 29.478 2.827 -22.977 1.00 73.41 C ATOM 0 H THR A 49 27.848 -0.879 -21.374 1.00 3.41 H new ATOM 0 HA THR A 49 29.209 0.833 -21.226 1.00 41.11 H new ATOM 0 HB THR A 49 27.433 2.253 -23.234 1.00 5.43 H new ATOM 0 HG1 THR A 49 28.797 1.134 -24.805 1.00 52.35 H new ATOM 0 HG21 THR A 49 29.567 3.248 -23.979 1.00 73.41 H new ATOM 0 HG22 THR A 49 29.234 3.621 -22.271 1.00 73.41 H new ATOM 0 HG23 THR A 49 30.423 2.365 -22.692 1.00 73.41 H new ATOM 664 N ALA A 50 27.792 1.891 -19.294 1.00 3.21 N ATOM 665 CA ALA A 50 27.332 2.769 -18.236 1.00 63.41 C ATOM 666 C ALA A 50 27.887 2.311 -16.908 1.00 4.34 C ATOM 667 O ALA A 50 28.168 1.126 -16.721 1.00 52.25 O ATOM 668 CB ALA A 50 25.807 2.792 -18.187 1.00 72.22 C ATOM 0 H ALA A 50 28.187 1.011 -18.962 1.00 3.21 H new ATOM 0 HA ALA A 50 27.687 3.779 -18.441 1.00 63.41 H new ATOM 0 HB1 ALA A 50 25.479 3.456 -17.387 1.00 72.22 H new ATOM 0 HB2 ALA A 50 25.418 3.151 -19.140 1.00 72.22 H new ATOM 0 HB3 ALA A 50 25.434 1.785 -17.999 1.00 72.22 H new ATOM 674 N GLN A 51 28.059 3.237 -15.996 1.00 31.14 N ATOM 675 CA GLN A 51 28.573 2.916 -14.686 1.00 20.35 C ATOM 676 C GLN A 51 27.455 2.382 -13.796 1.00 12.34 C ATOM 677 O GLN A 51 26.331 2.891 -13.833 1.00 3.13 O ATOM 678 CB GLN A 51 29.251 4.142 -14.028 1.00 12.30 C ATOM 679 CG GLN A 51 28.347 5.363 -13.832 1.00 52.11 C ATOM 680 CD GLN A 51 28.050 6.108 -15.124 1.00 64.13 C ATOM 681 OE1 GLN A 51 27.067 5.820 -15.811 1.00 74.31 O ATOM 682 NE2 GLN A 51 28.900 7.054 -15.466 1.00 52.23 N ATOM 0 H GLN A 51 27.849 4.225 -16.138 1.00 31.14 H new ATOM 0 HA GLN A 51 29.331 2.142 -14.804 1.00 20.35 H new ATOM 0 HB2 GLN A 51 29.644 3.842 -13.057 1.00 12.30 H new ATOM 0 HB3 GLN A 51 30.104 4.436 -14.639 1.00 12.30 H new ATOM 0 HG2 GLN A 51 27.407 5.042 -13.382 1.00 52.11 H new ATOM 0 HG3 GLN A 51 28.820 6.047 -13.127 1.00 52.11 H new ATOM 0 HE21 GLN A 51 29.701 7.261 -14.869 1.00 52.23 H new ATOM 0 HE22 GLN A 51 28.758 7.580 -16.328 1.00 52.23 H new ATOM 691 N PRO A 52 27.733 1.327 -13.010 1.00 52.21 N ATOM 692 CA PRO A 52 26.748 0.753 -12.093 1.00 70.04 C ATOM 693 C PRO A 52 26.305 1.776 -11.055 1.00 41.41 C ATOM 694 O PRO A 52 27.057 2.110 -10.135 1.00 62.41 O ATOM 695 CB PRO A 52 27.504 -0.401 -11.415 1.00 74.12 C ATOM 696 CG PRO A 52 28.651 -0.694 -12.320 1.00 23.01 C ATOM 697 CD PRO A 52 29.016 0.607 -12.964 1.00 55.31 C ATOM 0 HA PRO A 52 25.843 0.429 -12.606 1.00 70.04 H new ATOM 0 HB2 PRO A 52 27.848 -0.117 -10.421 1.00 74.12 H new ATOM 0 HB3 PRO A 52 26.864 -1.275 -11.293 1.00 74.12 H new ATOM 0 HG2 PRO A 52 29.493 -1.102 -11.762 1.00 23.01 H new ATOM 0 HG3 PRO A 52 28.376 -1.436 -13.070 1.00 23.01 H new ATOM 0 HD2 PRO A 52 29.762 1.149 -12.383 1.00 55.31 H new ATOM 0 HD3 PRO A 52 29.432 0.461 -13.961 1.00 55.31 H new ATOM 705 N LEU A 53 25.099 2.286 -11.218 1.00 13.23 N ATOM 706 CA LEU A 53 24.578 3.293 -10.318 1.00 22.03 C ATOM 707 C LEU A 53 24.135 2.680 -8.992 1.00 23.35 C ATOM 708 O LEU A 53 23.559 1.587 -8.960 1.00 4.45 O ATOM 709 CB LEU A 53 23.437 4.098 -10.991 1.00 52.14 C ATOM 710 CG LEU A 53 22.284 3.292 -11.628 1.00 4.13 C ATOM 711 CD1 LEU A 53 21.271 2.848 -10.582 1.00 14.01 C ATOM 712 CD2 LEU A 53 21.603 4.111 -12.712 1.00 31.03 C ATOM 0 H LEU A 53 24.462 2.018 -11.968 1.00 13.23 H new ATOM 0 HA LEU A 53 25.384 3.992 -10.092 1.00 22.03 H new ATOM 0 HB2 LEU A 53 23.009 4.766 -10.244 1.00 52.14 H new ATOM 0 HB3 LEU A 53 23.878 4.726 -11.765 1.00 52.14 H new ATOM 0 HG LEU A 53 22.711 2.396 -12.078 1.00 4.13 H new ATOM 0 HD11 LEU A 53 20.473 2.283 -11.065 1.00 14.01 H new ATOM 0 HD12 LEU A 53 21.765 2.218 -9.842 1.00 14.01 H new ATOM 0 HD13 LEU A 53 20.849 3.724 -10.090 1.00 14.01 H new ATOM 0 HD21 LEU A 53 20.792 3.530 -13.152 1.00 31.03 H new ATOM 0 HD22 LEU A 53 21.200 5.026 -12.278 1.00 31.03 H new ATOM 0 HD23 LEU A 53 22.328 4.366 -13.485 1.00 31.03 H new ATOM 724 N PRO A 54 24.441 3.355 -7.880 1.00 64.02 N ATOM 725 CA PRO A 54 24.048 2.896 -6.552 1.00 61.03 C ATOM 726 C PRO A 54 22.548 3.064 -6.315 1.00 3.13 C ATOM 727 O PRO A 54 21.831 3.635 -7.148 1.00 73.05 O ATOM 728 CB PRO A 54 24.846 3.803 -5.611 1.00 14.21 C ATOM 729 CG PRO A 54 25.082 5.044 -6.396 1.00 32.41 C ATOM 730 CD PRO A 54 25.210 4.613 -7.828 1.00 54.13 C ATOM 0 HA PRO A 54 24.248 1.835 -6.405 1.00 61.03 H new ATOM 0 HB2 PRO A 54 24.291 4.012 -4.697 1.00 14.21 H new ATOM 0 HB3 PRO A 54 25.786 3.337 -5.314 1.00 14.21 H new ATOM 0 HG2 PRO A 54 24.257 5.746 -6.273 1.00 32.41 H new ATOM 0 HG3 PRO A 54 25.986 5.552 -6.060 1.00 32.41 H new ATOM 0 HD2 PRO A 54 24.804 5.360 -8.510 1.00 54.13 H new ATOM 0 HD3 PRO A 54 26.252 4.458 -8.109 1.00 54.13 H new ATOM 738 N VAL A 55 22.088 2.592 -5.176 1.00 31.20 N ATOM 739 CA VAL A 55 20.677 2.651 -4.822 1.00 20.31 C ATOM 740 C VAL A 55 20.529 2.995 -3.351 1.00 14.43 C ATOM 741 O VAL A 55 21.525 3.051 -2.622 1.00 11.15 O ATOM 742 CB VAL A 55 19.955 1.302 -5.101 1.00 42.11 C ATOM 743 CG1 VAL A 55 19.858 1.030 -6.596 1.00 23.32 C ATOM 744 CG2 VAL A 55 20.671 0.154 -4.396 1.00 74.12 C ATOM 0 H VAL A 55 22.677 2.156 -4.467 1.00 31.20 H new ATOM 0 HA VAL A 55 20.216 3.421 -5.440 1.00 20.31 H new ATOM 0 HB VAL A 55 18.942 1.376 -4.705 1.00 42.11 H new ATOM 0 HG11 VAL A 55 19.349 0.080 -6.761 1.00 23.32 H new ATOM 0 HG12 VAL A 55 19.296 1.831 -7.076 1.00 23.32 H new ATOM 0 HG13 VAL A 55 20.860 0.983 -7.023 1.00 23.32 H new ATOM 0 HG21 VAL A 55 20.151 -0.781 -4.603 1.00 74.12 H new ATOM 0 HG22 VAL A 55 21.697 0.087 -4.759 1.00 74.12 H new ATOM 0 HG23 VAL A 55 20.678 0.335 -3.321 1.00 74.12 H new ATOM 754 N ALA A 56 19.301 3.218 -2.914 1.00 64.31 N ATOM 755 CA ALA A 56 19.039 3.587 -1.534 1.00 60.04 C ATOM 756 C ALA A 56 17.560 3.451 -1.211 1.00 3.13 C ATOM 757 O ALA A 56 16.782 2.923 -2.019 1.00 54.42 O ATOM 758 CB ALA A 56 19.497 5.021 -1.282 1.00 44.21 C ATOM 0 H ALA A 56 18.467 3.149 -3.498 1.00 64.31 H new ATOM 0 HA ALA A 56 19.597 2.912 -0.885 1.00 60.04 H new ATOM 0 HB1 ALA A 56 19.297 5.290 -0.245 1.00 44.21 H new ATOM 0 HB2 ALA A 56 20.566 5.101 -1.478 1.00 44.21 H new ATOM 0 HB3 ALA A 56 18.955 5.697 -1.943 1.00 44.21 H new ATOM 764 N SER A 57 17.180 3.923 -0.035 1.00 4.23 N ATOM 765 CA SER A 57 15.802 3.875 0.407 1.00 70.12 C ATOM 766 C SER A 57 14.977 4.909 -0.359 1.00 52.45 C ATOM 767 O SER A 57 15.527 5.871 -0.907 1.00 64.33 O ATOM 768 CB SER A 57 15.732 4.137 1.920 1.00 53.15 C ATOM 769 OG SER A 57 14.409 3.997 2.419 1.00 11.43 O ATOM 0 H SER A 57 17.819 4.349 0.637 1.00 4.23 H new ATOM 0 HA SER A 57 15.390 2.886 0.207 1.00 70.12 H new ATOM 0 HB2 SER A 57 16.392 3.443 2.440 1.00 53.15 H new ATOM 0 HB3 SER A 57 16.096 5.142 2.132 1.00 53.15 H new ATOM 0 HG SER A 57 14.403 4.169 3.384 1.00 11.43 H new ATOM 775 N ALA A 58 13.672 4.707 -0.394 1.00 25.24 N ATOM 776 CA ALA A 58 12.779 5.588 -1.123 1.00 41.01 C ATOM 777 C ALA A 58 12.717 6.974 -0.488 1.00 23.01 C ATOM 778 O ALA A 58 12.460 7.108 0.711 1.00 15.02 O ATOM 779 CB ALA A 58 11.387 4.976 -1.202 1.00 1.55 C ATOM 0 H ALA A 58 13.205 3.933 0.079 1.00 25.24 H new ATOM 0 HA ALA A 58 13.174 5.705 -2.132 1.00 41.01 H new ATOM 0 HB1 ALA A 58 10.726 5.646 -1.751 1.00 1.55 H new ATOM 0 HB2 ALA A 58 11.440 4.016 -1.716 1.00 1.55 H new ATOM 0 HB3 ALA A 58 10.997 4.827 -0.195 1.00 1.55 H new ATOM 785 N PRO A 59 12.978 8.018 -1.286 1.00 32.13 N ATOM 786 CA PRO A 59 12.904 9.409 -0.836 1.00 22.21 C ATOM 787 C PRO A 59 11.456 9.872 -0.699 1.00 25.22 C ATOM 788 O PRO A 59 10.521 9.096 -0.941 1.00 13.01 O ATOM 789 CB PRO A 59 13.610 10.180 -1.953 1.00 44.05 C ATOM 790 CG PRO A 59 13.390 9.354 -3.171 1.00 1.13 C ATOM 791 CD PRO A 59 13.373 7.922 -2.710 1.00 70.24 C ATOM 0 HA PRO A 59 13.356 9.557 0.145 1.00 22.21 H new ATOM 0 HB2 PRO A 59 13.192 11.180 -2.071 1.00 44.05 H new ATOM 0 HB3 PRO A 59 14.672 10.301 -1.742 1.00 44.05 H new ATOM 0 HG2 PRO A 59 12.450 9.618 -3.656 1.00 1.13 H new ATOM 0 HG3 PRO A 59 14.182 9.518 -3.901 1.00 1.13 H new ATOM 0 HD2 PRO A 59 12.664 7.325 -3.283 1.00 70.24 H new ATOM 0 HD3 PRO A 59 14.350 7.453 -2.824 1.00 70.24 H new ATOM 799 N VAL A 60 11.260 11.121 -0.310 1.00 64.05 N ATOM 800 CA VAL A 60 9.915 11.648 -0.167 1.00 2.53 C ATOM 801 C VAL A 60 9.343 11.936 -1.546 1.00 54.32 C ATOM 802 O VAL A 60 10.093 12.173 -2.500 1.00 72.50 O ATOM 803 CB VAL A 60 9.881 12.945 0.687 1.00 23.22 C ATOM 804 CG1 VAL A 60 10.584 12.735 2.016 1.00 4.02 C ATOM 805 CG2 VAL A 60 10.490 14.122 -0.065 1.00 32.12 C ATOM 0 H VAL A 60 12.006 11.781 -0.090 1.00 64.05 H new ATOM 0 HA VAL A 60 9.316 10.898 0.350 1.00 2.53 H new ATOM 0 HB VAL A 60 8.836 13.182 0.885 1.00 23.22 H new ATOM 0 HG11 VAL A 60 10.547 13.657 2.597 1.00 4.02 H new ATOM 0 HG12 VAL A 60 10.087 11.938 2.569 1.00 4.02 H new ATOM 0 HG13 VAL A 60 11.623 12.459 1.838 1.00 4.02 H new ATOM 0 HG21 VAL A 60 10.450 15.013 0.561 1.00 32.12 H new ATOM 0 HG22 VAL A 60 11.528 13.898 -0.312 1.00 32.12 H new ATOM 0 HG23 VAL A 60 9.928 14.298 -0.982 1.00 32.12 H new ATOM 815 N LEU A 61 8.038 11.909 -1.665 1.00 31.22 N ATOM 816 CA LEU A 61 7.416 12.109 -2.952 1.00 73.33 C ATOM 817 C LEU A 61 7.115 13.579 -3.194 1.00 33.12 C ATOM 818 O LEU A 61 6.166 14.139 -2.640 1.00 23.15 O ATOM 819 CB LEU A 61 6.150 11.251 -3.084 1.00 44.23 C ATOM 820 CG LEU A 61 5.415 11.324 -4.431 1.00 75.14 C ATOM 821 CD1 LEU A 61 6.374 11.077 -5.586 1.00 20.52 C ATOM 822 CD2 LEU A 61 4.281 10.312 -4.469 1.00 31.11 C ATOM 0 H LEU A 61 7.390 11.752 -0.893 1.00 31.22 H new ATOM 0 HA LEU A 61 8.119 11.788 -3.720 1.00 73.33 H new ATOM 0 HB2 LEU A 61 6.420 10.212 -2.898 1.00 44.23 H new ATOM 0 HB3 LEU A 61 5.454 11.545 -2.298 1.00 44.23 H new ATOM 0 HG LEU A 61 5.000 12.326 -4.537 1.00 75.14 H new ATOM 0 HD11 LEU A 61 5.830 11.134 -6.529 1.00 20.52 H new ATOM 0 HD12 LEU A 61 7.160 11.832 -5.574 1.00 20.52 H new ATOM 0 HD13 LEU A 61 6.820 10.088 -5.483 1.00 20.52 H new ATOM 0 HD21 LEU A 61 3.769 10.375 -5.429 1.00 31.11 H new ATOM 0 HD22 LEU A 61 4.685 9.308 -4.338 1.00 31.11 H new ATOM 0 HD23 LEU A 61 3.575 10.526 -3.667 1.00 31.11 H new ATOM 834 N SER A 62 7.953 14.204 -3.994 1.00 55.25 N ATOM 835 CA SER A 62 7.787 15.594 -4.353 1.00 71.12 C ATOM 836 C SER A 62 7.968 15.764 -5.845 1.00 74.31 C ATOM 837 O SER A 62 9.036 16.145 -6.319 1.00 23.12 O ATOM 838 CB SER A 62 8.774 16.475 -3.586 1.00 41.50 C ATOM 839 OG SER A 62 8.675 16.248 -2.188 1.00 4.12 O ATOM 0 H SER A 62 8.770 13.760 -4.414 1.00 55.25 H new ATOM 0 HA SER A 62 6.779 15.907 -4.082 1.00 71.12 H new ATOM 0 HB2 SER A 62 9.790 16.267 -3.921 1.00 41.50 H new ATOM 0 HB3 SER A 62 8.576 17.525 -3.803 1.00 41.50 H new ATOM 0 HG SER A 62 8.044 16.888 -1.797 1.00 4.12 H new ATOM 845 N ALA A 63 6.935 15.437 -6.579 1.00 25.11 N ATOM 846 CA ALA A 63 6.963 15.520 -8.013 1.00 24.53 C ATOM 847 C ALA A 63 5.674 16.151 -8.512 1.00 74.15 C ATOM 848 O ALA A 63 4.666 16.123 -7.805 1.00 53.22 O ATOM 849 CB ALA A 63 7.147 14.125 -8.600 1.00 63.21 C ATOM 0 H ALA A 63 6.050 15.105 -6.196 1.00 25.11 H new ATOM 0 HA ALA A 63 7.799 16.143 -8.331 1.00 24.53 H new ATOM 0 HB1 ALA A 63 7.168 14.188 -9.688 1.00 63.21 H new ATOM 0 HB2 ALA A 63 8.085 13.701 -8.243 1.00 63.21 H new ATOM 0 HB3 ALA A 63 6.319 13.488 -8.290 1.00 63.21 H new ATOM 855 N PRO A 64 5.687 16.754 -9.718 1.00 21.02 N ATOM 856 CA PRO A 64 4.490 17.363 -10.305 1.00 52.11 C ATOM 857 C PRO A 64 3.332 16.372 -10.356 1.00 3.34 C ATOM 858 O PRO A 64 3.407 15.348 -11.040 1.00 35.13 O ATOM 859 CB PRO A 64 4.936 17.741 -11.718 1.00 12.13 C ATOM 860 CG PRO A 64 6.411 17.902 -11.614 1.00 20.30 C ATOM 861 CD PRO A 64 6.865 16.899 -10.594 1.00 55.53 C ATOM 0 HA PRO A 64 4.128 18.213 -9.727 1.00 52.11 H new ATOM 0 HB2 PRO A 64 4.671 16.967 -12.438 1.00 12.13 H new ATOM 0 HB3 PRO A 64 4.459 18.663 -12.051 1.00 12.13 H new ATOM 0 HG2 PRO A 64 6.892 17.725 -12.576 1.00 20.30 H new ATOM 0 HG3 PRO A 64 6.672 18.915 -11.308 1.00 20.30 H new ATOM 0 HD2 PRO A 64 7.142 15.952 -11.056 1.00 55.53 H new ATOM 0 HD3 PRO A 64 7.736 17.252 -10.042 1.00 55.53 H new ATOM 869 N LEU A 65 2.266 16.681 -9.636 1.00 30.22 N ATOM 870 CA LEU A 65 1.131 15.787 -9.545 1.00 3.35 C ATOM 871 C LEU A 65 0.387 15.724 -10.867 1.00 30.44 C ATOM 872 O LEU A 65 0.204 16.736 -11.542 1.00 24.32 O ATOM 873 CB LEU A 65 0.196 16.202 -8.382 1.00 73.40 C ATOM 874 CG LEU A 65 -0.392 17.625 -8.436 1.00 50.43 C ATOM 875 CD1 LEU A 65 -1.672 17.662 -9.255 1.00 31.22 C ATOM 876 CD2 LEU A 65 -0.643 18.151 -7.033 1.00 4.02 C ATOM 0 H LEU A 65 2.166 17.547 -9.106 1.00 30.22 H new ATOM 0 HA LEU A 65 1.499 14.784 -9.328 1.00 3.35 H new ATOM 0 HB2 LEU A 65 -0.632 15.494 -8.343 1.00 73.40 H new ATOM 0 HB3 LEU A 65 0.749 16.098 -7.448 1.00 73.40 H new ATOM 0 HG LEU A 65 0.338 18.270 -8.926 1.00 50.43 H new ATOM 0 HD11 LEU A 65 -2.062 18.680 -9.274 1.00 31.22 H new ATOM 0 HD12 LEU A 65 -1.462 17.335 -10.273 1.00 31.22 H new ATOM 0 HD13 LEU A 65 -2.411 16.998 -8.806 1.00 31.22 H new ATOM 0 HD21 LEU A 65 -1.058 19.157 -7.091 1.00 4.02 H new ATOM 0 HD22 LEU A 65 -1.347 17.496 -6.520 1.00 4.02 H new ATOM 0 HD23 LEU A 65 0.296 18.177 -6.481 1.00 4.02 H new ATOM 888 N GLY A 66 -0.003 14.527 -11.247 1.00 32.05 N ATOM 889 CA GLY A 66 -0.703 14.337 -12.495 1.00 4.13 C ATOM 890 C GLY A 66 0.241 13.932 -13.594 1.00 4.21 C ATOM 891 O GLY A 66 -0.085 13.079 -14.426 1.00 24.00 O ATOM 0 H GLY A 66 0.153 13.674 -10.710 1.00 32.05 H new ATOM 0 HA2 GLY A 66 -1.470 13.573 -12.372 1.00 4.13 H new ATOM 0 HA3 GLY A 66 -1.213 15.259 -12.772 1.00 4.13 H new ATOM 895 N SER A 67 1.406 14.546 -13.598 1.00 61.22 N ATOM 896 CA SER A 67 2.436 14.261 -14.569 1.00 44.05 C ATOM 897 C SER A 67 2.879 12.793 -14.501 1.00 4.31 C ATOM 898 O SER A 67 2.724 12.126 -13.465 1.00 25.02 O ATOM 899 CB SER A 67 3.614 15.196 -14.344 1.00 64.13 C ATOM 900 OG SER A 67 3.174 16.543 -14.325 1.00 1.14 O ATOM 0 H SER A 67 1.665 15.263 -12.920 1.00 61.22 H new ATOM 0 HA SER A 67 2.032 14.428 -15.568 1.00 44.05 H new ATOM 0 HB2 SER A 67 4.105 14.953 -13.402 1.00 64.13 H new ATOM 0 HB3 SER A 67 4.353 15.058 -15.134 1.00 64.13 H new ATOM 0 HG SER A 67 3.933 17.138 -14.499 1.00 1.14 H new ATOM 906 N HIS A 68 3.439 12.305 -15.598 1.00 5.13 N ATOM 907 CA HIS A 68 3.878 10.916 -15.695 1.00 41.40 C ATOM 908 C HIS A 68 4.963 10.590 -14.683 1.00 15.21 C ATOM 909 O HIS A 68 5.027 9.476 -14.191 1.00 5.12 O ATOM 910 CB HIS A 68 4.372 10.585 -17.109 1.00 61.31 C ATOM 911 CG HIS A 68 3.276 10.322 -18.095 1.00 1.11 C ATOM 912 ND1 HIS A 68 2.904 9.053 -18.483 1.00 34.34 N ATOM 913 CD2 HIS A 68 2.473 11.166 -18.781 1.00 41.33 C ATOM 914 CE1 HIS A 68 1.928 9.132 -19.361 1.00 71.42 C ATOM 915 NE2 HIS A 68 1.647 10.399 -19.556 1.00 52.23 N ATOM 0 H HIS A 68 3.602 12.854 -16.442 1.00 5.13 H new ATOM 0 HA HIS A 68 3.007 10.299 -15.471 1.00 41.40 H new ATOM 0 HB2 HIS A 68 4.982 11.413 -17.472 1.00 61.31 H new ATOM 0 HB3 HIS A 68 5.020 9.710 -17.060 1.00 61.31 H new ATOM 0 HD2 HIS A 68 2.482 12.245 -18.727 1.00 41.33 H new ATOM 0 HE1 HIS A 68 1.440 8.296 -19.840 1.00 71.42 H new ATOM 0 HE2 HIS A 68 0.927 10.755 -20.185 1.00 52.23 H new ATOM 924 N GLU A 69 5.800 11.569 -14.361 1.00 14.25 N ATOM 925 CA GLU A 69 6.904 11.363 -13.429 1.00 62.23 C ATOM 926 C GLU A 69 6.392 10.981 -12.041 1.00 21.42 C ATOM 927 O GLU A 69 6.887 10.034 -11.424 1.00 0.55 O ATOM 928 CB GLU A 69 7.776 12.615 -13.354 1.00 71.53 C ATOM 929 CG GLU A 69 9.011 12.455 -12.489 1.00 1.24 C ATOM 930 CD GLU A 69 9.942 13.635 -12.592 1.00 42.51 C ATOM 931 OE1 GLU A 69 10.759 13.671 -13.539 1.00 12.03 O ATOM 932 OE2 GLU A 69 9.870 14.535 -11.734 1.00 4.41 O ATOM 0 H GLU A 69 5.735 12.517 -14.733 1.00 14.25 H new ATOM 0 HA GLU A 69 7.510 10.536 -13.800 1.00 62.23 H new ATOM 0 HB2 GLU A 69 8.084 12.892 -14.362 1.00 71.53 H new ATOM 0 HB3 GLU A 69 7.178 13.439 -12.966 1.00 71.53 H new ATOM 0 HG2 GLU A 69 8.709 12.324 -11.450 1.00 1.24 H new ATOM 0 HG3 GLU A 69 9.542 11.550 -12.783 1.00 1.24 H new ATOM 939 N TRP A 70 5.391 11.707 -11.566 1.00 32.41 N ATOM 940 CA TRP A 70 4.791 11.433 -10.266 1.00 42.23 C ATOM 941 C TRP A 70 4.093 10.082 -10.289 1.00 1.05 C ATOM 942 O TRP A 70 4.217 9.292 -9.352 1.00 25.24 O ATOM 943 CB TRP A 70 3.776 12.540 -9.944 1.00 71.41 C ATOM 944 CG TRP A 70 3.197 12.496 -8.558 1.00 32.21 C ATOM 945 CD1 TRP A 70 3.660 13.160 -7.461 1.00 1.51 C ATOM 946 CD2 TRP A 70 2.036 11.771 -8.126 1.00 30.30 C ATOM 947 NE1 TRP A 70 2.868 12.894 -6.377 1.00 41.21 N ATOM 948 CE2 TRP A 70 1.865 12.042 -6.754 1.00 22.01 C ATOM 949 CE3 TRP A 70 1.128 10.920 -8.762 1.00 13.40 C ATOM 950 CZ2 TRP A 70 0.824 11.494 -6.010 1.00 12.13 C ATOM 951 CZ3 TRP A 70 0.097 10.376 -8.022 1.00 15.23 C ATOM 952 CH2 TRP A 70 -0.048 10.665 -6.660 1.00 62.21 C ATOM 0 H TRP A 70 4.975 12.494 -12.063 1.00 32.41 H new ATOM 0 HA TRP A 70 5.568 11.411 -9.501 1.00 42.23 H new ATOM 0 HB2 TRP A 70 4.259 13.506 -10.088 1.00 71.41 H new ATOM 0 HB3 TRP A 70 2.959 12.482 -10.663 1.00 71.41 H new ATOM 0 HD1 TRP A 70 4.527 13.804 -7.449 1.00 1.51 H new ATOM 0 HE1 TRP A 70 3.003 13.270 -5.439 1.00 41.21 H new ATOM 0 HE3 TRP A 70 1.231 10.692 -9.813 1.00 13.40 H new ATOM 0 HZ2 TRP A 70 0.709 11.715 -4.959 1.00 12.13 H new ATOM 0 HZ3 TRP A 70 -0.610 9.716 -8.502 1.00 15.23 H new ATOM 0 HH2 TRP A 70 -0.866 10.224 -6.111 1.00 62.21 H new ATOM 963 N GLN A 71 3.391 9.807 -11.373 1.00 3.20 N ATOM 964 CA GLN A 71 2.693 8.545 -11.520 1.00 12.50 C ATOM 965 C GLN A 71 3.678 7.373 -11.580 1.00 63.30 C ATOM 966 O GLN A 71 3.472 6.347 -10.932 1.00 73.11 O ATOM 967 CB GLN A 71 1.789 8.569 -12.741 1.00 30.12 C ATOM 968 CG GLN A 71 0.612 9.512 -12.588 1.00 11.34 C ATOM 969 CD GLN A 71 -0.371 9.398 -13.723 1.00 62.02 C ATOM 970 OE1 GLN A 71 0.001 9.112 -14.861 1.00 32.44 O ATOM 971 NE2 GLN A 71 -1.633 9.605 -13.422 1.00 71.45 N ATOM 0 H GLN A 71 3.290 10.442 -12.165 1.00 3.20 H new ATOM 0 HA GLN A 71 2.065 8.401 -10.641 1.00 12.50 H new ATOM 0 HB2 GLN A 71 2.373 8.864 -13.613 1.00 30.12 H new ATOM 0 HB3 GLN A 71 1.418 7.562 -12.932 1.00 30.12 H new ATOM 0 HG2 GLN A 71 0.102 9.302 -11.648 1.00 11.34 H new ATOM 0 HG3 GLN A 71 0.977 10.537 -12.530 1.00 11.34 H new ATOM 0 HE21 GLN A 71 -1.897 9.840 -12.465 1.00 71.45 H new ATOM 0 HE22 GLN A 71 -2.349 9.531 -14.145 1.00 71.45 H new ATOM 980 N GLN A 72 4.738 7.525 -12.374 1.00 2.33 N ATOM 981 CA GLN A 72 5.792 6.512 -12.455 1.00 64.14 C ATOM 982 C GLN A 72 6.419 6.256 -11.091 1.00 33.44 C ATOM 983 O GLN A 72 6.669 5.105 -10.724 1.00 73.12 O ATOM 984 CB GLN A 72 6.869 6.913 -13.465 1.00 71.21 C ATOM 985 CG GLN A 72 6.431 6.786 -14.918 1.00 51.45 C ATOM 986 CD GLN A 72 6.188 5.346 -15.333 1.00 20.10 C ATOM 987 OE1 GLN A 72 7.093 4.663 -15.801 1.00 4.44 O ATOM 988 NE2 GLN A 72 4.964 4.877 -15.168 1.00 24.41 N ATOM 0 H GLN A 72 4.890 8.339 -12.970 1.00 2.33 H new ATOM 0 HA GLN A 72 5.327 5.588 -12.797 1.00 64.14 H new ATOM 0 HB2 GLN A 72 7.166 7.944 -13.274 1.00 71.21 H new ATOM 0 HB3 GLN A 72 7.751 6.293 -13.306 1.00 71.21 H new ATOM 0 HG2 GLN A 72 5.518 7.362 -15.070 1.00 51.45 H new ATOM 0 HG3 GLN A 72 7.194 7.222 -15.563 1.00 51.45 H new ATOM 0 HE21 GLN A 72 4.237 5.475 -14.775 1.00 24.41 H new ATOM 0 HE22 GLN A 72 4.746 3.917 -15.433 1.00 24.41 H new ATOM 997 N THR A 73 6.661 7.322 -10.329 1.00 71.12 N ATOM 998 CA THR A 73 7.219 7.177 -8.995 1.00 54.15 C ATOM 999 C THR A 73 6.233 6.423 -8.102 1.00 31.30 C ATOM 1000 O THR A 73 6.625 5.535 -7.335 1.00 25.31 O ATOM 1001 CB THR A 73 7.544 8.553 -8.364 1.00 41.52 C ATOM 1002 OG1 THR A 73 8.368 9.322 -9.260 1.00 53.45 O ATOM 1003 CG2 THR A 73 8.278 8.372 -7.040 1.00 12.32 C ATOM 0 H THR A 73 6.480 8.285 -10.613 1.00 71.12 H new ATOM 0 HA THR A 73 8.149 6.614 -9.079 1.00 54.15 H new ATOM 0 HB THR A 73 6.606 9.079 -8.185 1.00 41.52 H new ATOM 0 HG1 THR A 73 7.814 9.690 -9.980 1.00 53.45 H new ATOM 0 HG21 THR A 73 8.499 9.349 -6.610 1.00 12.32 H new ATOM 0 HG22 THR A 73 7.651 7.805 -6.351 1.00 12.32 H new ATOM 0 HG23 THR A 73 9.209 7.832 -7.211 1.00 12.32 H new ATOM 1011 N PHE A 74 4.953 6.788 -8.214 1.00 71.24 N ATOM 1012 CA PHE A 74 3.885 6.103 -7.497 1.00 30.34 C ATOM 1013 C PHE A 74 3.923 4.603 -7.785 1.00 64.54 C ATOM 1014 O PHE A 74 3.853 3.785 -6.873 1.00 14.21 O ATOM 1015 CB PHE A 74 2.517 6.682 -7.883 1.00 11.15 C ATOM 1016 CG PHE A 74 1.350 5.885 -7.363 1.00 74.32 C ATOM 1017 CD1 PHE A 74 1.011 5.923 -6.022 1.00 25.53 C ATOM 1018 CD2 PHE A 74 0.601 5.092 -8.218 1.00 61.33 C ATOM 1019 CE1 PHE A 74 -0.055 5.187 -5.544 1.00 73.34 C ATOM 1020 CE2 PHE A 74 -0.465 4.354 -7.747 1.00 44.32 C ATOM 1021 CZ PHE A 74 -0.794 4.401 -6.409 1.00 23.12 C ATOM 0 H PHE A 74 4.634 7.560 -8.800 1.00 71.24 H new ATOM 0 HA PHE A 74 4.038 6.257 -6.429 1.00 30.34 H new ATOM 0 HB2 PHE A 74 2.445 7.702 -7.505 1.00 11.15 H new ATOM 0 HB3 PHE A 74 2.451 6.739 -8.969 1.00 11.15 H new ATOM 0 HD1 PHE A 74 1.586 6.534 -5.342 1.00 25.53 H new ATOM 0 HD2 PHE A 74 0.855 5.051 -9.267 1.00 61.33 H new ATOM 0 HE1 PHE A 74 -0.311 5.225 -4.496 1.00 73.34 H new ATOM 0 HE2 PHE A 74 -1.040 3.741 -8.425 1.00 44.32 H new ATOM 0 HZ PHE A 74 -1.628 3.825 -6.037 1.00 23.12 H new ATOM 1031 N SER A 75 4.027 4.248 -9.056 1.00 71.01 N ATOM 1032 CA SER A 75 4.120 2.854 -9.443 1.00 35.05 C ATOM 1033 C SER A 75 5.297 2.169 -8.748 1.00 71.30 C ATOM 1034 O SER A 75 5.152 1.084 -8.193 1.00 74.22 O ATOM 1035 CB SER A 75 4.254 2.740 -10.958 1.00 61.43 C ATOM 1036 OG SER A 75 3.174 3.387 -11.601 1.00 60.23 O ATOM 0 H SER A 75 4.049 4.907 -9.834 1.00 71.01 H new ATOM 0 HA SER A 75 3.206 2.349 -9.130 1.00 35.05 H new ATOM 0 HB2 SER A 75 5.196 3.185 -11.280 1.00 61.43 H new ATOM 0 HB3 SER A 75 4.281 1.690 -11.249 1.00 61.43 H new ATOM 0 HG SER A 75 3.284 4.358 -11.528 1.00 60.23 H new ATOM 1042 N GLN A 76 6.452 2.823 -8.764 1.00 72.03 N ATOM 1043 CA GLN A 76 7.653 2.282 -8.137 1.00 2.35 C ATOM 1044 C GLN A 76 7.448 2.003 -6.648 1.00 61.43 C ATOM 1045 O GLN A 76 7.698 0.887 -6.188 1.00 24.14 O ATOM 1046 CB GLN A 76 8.848 3.213 -8.348 1.00 71.35 C ATOM 1047 CG GLN A 76 9.313 3.291 -9.792 1.00 1.22 C ATOM 1048 CD GLN A 76 9.701 1.933 -10.347 1.00 33.21 C ATOM 1049 OE1 GLN A 76 8.872 1.216 -10.906 1.00 22.23 O ATOM 1050 NE2 GLN A 76 10.957 1.569 -10.194 1.00 71.21 N ATOM 0 H GLN A 76 6.583 3.733 -9.206 1.00 72.03 H new ATOM 0 HA GLN A 76 7.863 1.329 -8.623 1.00 2.35 H new ATOM 0 HB2 GLN A 76 8.583 4.213 -8.006 1.00 71.35 H new ATOM 0 HB3 GLN A 76 9.676 2.873 -7.727 1.00 71.35 H new ATOM 0 HG2 GLN A 76 8.519 3.718 -10.404 1.00 1.22 H new ATOM 0 HG3 GLN A 76 10.166 3.966 -9.861 1.00 1.22 H new ATOM 0 HE21 GLN A 76 11.615 2.191 -9.725 1.00 71.21 H new ATOM 0 HE22 GLN A 76 11.272 0.665 -10.545 1.00 71.21 H new ATOM 1059 N GLN A 77 6.999 3.010 -5.897 1.00 43.21 N ATOM 1060 CA GLN A 77 6.781 2.856 -4.450 1.00 51.54 C ATOM 1061 C GLN A 77 5.779 1.737 -4.122 1.00 32.25 C ATOM 1062 O GLN A 77 5.896 1.081 -3.090 1.00 33.31 O ATOM 1063 CB GLN A 77 6.342 4.181 -3.801 1.00 24.14 C ATOM 1064 CG GLN A 77 5.032 4.731 -4.334 1.00 34.13 C ATOM 1065 CD GLN A 77 4.615 6.036 -3.679 1.00 64.33 C ATOM 1066 OE1 GLN A 77 3.981 6.877 -4.302 1.00 64.41 O ATOM 1067 NE2 GLN A 77 4.956 6.203 -2.417 1.00 42.13 N ATOM 0 H GLN A 77 6.779 3.937 -6.260 1.00 43.21 H new ATOM 0 HA GLN A 77 7.742 2.566 -4.025 1.00 51.54 H new ATOM 0 HB2 GLN A 77 6.250 4.032 -2.725 1.00 24.14 H new ATOM 0 HB3 GLN A 77 7.124 4.924 -3.954 1.00 24.14 H new ATOM 0 HG2 GLN A 77 5.122 4.885 -5.409 1.00 34.13 H new ATOM 0 HG3 GLN A 77 4.247 3.990 -4.183 1.00 34.13 H new ATOM 0 HE21 GLN A 77 5.485 5.478 -1.931 1.00 42.13 H new ATOM 0 HE22 GLN A 77 4.691 7.057 -1.926 1.00 42.13 H new ATOM 1076 N VAL A 78 4.808 1.513 -5.002 1.00 62.33 N ATOM 1077 CA VAL A 78 3.819 0.467 -4.768 1.00 60.51 C ATOM 1078 C VAL A 78 4.353 -0.893 -5.214 1.00 74.13 C ATOM 1079 O VAL A 78 4.089 -1.916 -4.582 1.00 51.51 O ATOM 1080 CB VAL A 78 2.473 0.761 -5.473 1.00 35.32 C ATOM 1081 CG1 VAL A 78 1.461 -0.346 -5.188 1.00 35.24 C ATOM 1082 CG2 VAL A 78 1.921 2.104 -5.023 1.00 14.42 C ATOM 0 H VAL A 78 4.685 2.033 -5.871 1.00 62.33 H new ATOM 0 HA VAL A 78 3.632 0.447 -3.694 1.00 60.51 H new ATOM 0 HB VAL A 78 2.652 0.797 -6.548 1.00 35.32 H new ATOM 0 HG11 VAL A 78 0.522 -0.119 -5.693 1.00 35.24 H new ATOM 0 HG12 VAL A 78 1.849 -1.297 -5.553 1.00 35.24 H new ATOM 0 HG13 VAL A 78 1.288 -0.413 -4.114 1.00 35.24 H new ATOM 0 HG21 VAL A 78 0.974 2.296 -5.528 1.00 14.42 H new ATOM 0 HG22 VAL A 78 1.761 2.089 -3.945 1.00 14.42 H new ATOM 0 HG23 VAL A 78 2.632 2.892 -5.273 1.00 14.42 H new ATOM 1092 N MET A 79 5.122 -0.907 -6.292 1.00 33.22 N ATOM 1093 CA MET A 79 5.728 -2.146 -6.758 1.00 24.51 C ATOM 1094 C MET A 79 6.800 -2.598 -5.779 1.00 73.50 C ATOM 1095 O MET A 79 7.159 -3.767 -5.738 1.00 75.21 O ATOM 1096 CB MET A 79 6.321 -2.000 -8.163 1.00 53.11 C ATOM 1097 CG MET A 79 5.284 -1.790 -9.256 1.00 24.35 C ATOM 1098 SD MET A 79 6.006 -1.763 -10.912 1.00 74.41 S ATOM 1099 CE MET A 79 6.544 -3.468 -11.078 1.00 15.54 C ATOM 0 H MET A 79 5.340 -0.085 -6.855 1.00 33.22 H new ATOM 0 HA MET A 79 4.943 -2.900 -6.812 1.00 24.51 H new ATOM 0 HB2 MET A 79 7.014 -1.158 -8.168 1.00 53.11 H new ATOM 0 HB3 MET A 79 6.902 -2.892 -8.395 1.00 53.11 H new ATOM 0 HG2 MET A 79 4.540 -2.585 -9.202 1.00 24.35 H new ATOM 0 HG3 MET A 79 4.760 -0.851 -9.078 1.00 24.35 H new ATOM 0 HE1 MET A 79 6.678 -3.706 -12.133 1.00 15.54 H new ATOM 0 HE2 MET A 79 7.489 -3.604 -10.552 1.00 15.54 H new ATOM 0 HE3 MET A 79 5.792 -4.130 -10.649 1.00 15.54 H new ATOM 1109 N LEU A 80 7.295 -1.652 -4.986 1.00 3.13 N ATOM 1110 CA LEU A 80 8.296 -1.936 -3.969 1.00 32.44 C ATOM 1111 C LEU A 80 7.792 -3.040 -3.039 1.00 14.33 C ATOM 1112 O LEU A 80 8.555 -3.925 -2.633 1.00 52.43 O ATOM 1113 CB LEU A 80 8.611 -0.671 -3.167 1.00 33.45 C ATOM 1114 CG LEU A 80 9.754 -0.785 -2.160 1.00 23.12 C ATOM 1115 CD1 LEU A 80 11.075 -1.040 -2.872 1.00 72.12 C ATOM 1116 CD2 LEU A 80 9.838 0.469 -1.306 1.00 54.44 C ATOM 0 H LEU A 80 7.014 -0.673 -5.032 1.00 3.13 H new ATOM 0 HA LEU A 80 9.210 -2.273 -4.457 1.00 32.44 H new ATOM 0 HB2 LEU A 80 8.848 0.130 -3.867 1.00 33.45 H new ATOM 0 HB3 LEU A 80 7.710 -0.370 -2.632 1.00 33.45 H new ATOM 0 HG LEU A 80 9.552 -1.633 -1.506 1.00 23.12 H new ATOM 0 HD11 LEU A 80 11.876 -1.118 -2.136 1.00 72.12 H new ATOM 0 HD12 LEU A 80 11.010 -1.970 -3.437 1.00 72.12 H new ATOM 0 HD13 LEU A 80 11.287 -0.215 -3.553 1.00 72.12 H new ATOM 0 HD21 LEU A 80 10.658 0.370 -0.594 1.00 54.44 H new ATOM 0 HD22 LEU A 80 10.015 1.334 -1.946 1.00 54.44 H new ATOM 0 HD23 LEU A 80 8.902 0.604 -0.765 1.00 54.44 H new ATOM 1128 N PHE A 81 6.503 -2.966 -2.697 1.00 31.44 N ATOM 1129 CA PHE A 81 5.846 -3.987 -1.884 1.00 44.32 C ATOM 1130 C PHE A 81 6.095 -5.391 -2.428 1.00 1.31 C ATOM 1131 O PHE A 81 6.536 -6.266 -1.701 1.00 14.21 O ATOM 1132 CB PHE A 81 4.339 -3.732 -1.791 1.00 30.52 C ATOM 1133 CG PHE A 81 3.972 -2.484 -1.045 1.00 71.50 C ATOM 1134 CD1 PHE A 81 4.075 -2.434 0.328 1.00 4.32 C ATOM 1135 CD2 PHE A 81 3.514 -1.367 -1.716 1.00 1.35 C ATOM 1136 CE1 PHE A 81 3.734 -1.295 1.020 1.00 13.33 C ATOM 1137 CE2 PHE A 81 3.171 -0.223 -1.032 1.00 12.30 C ATOM 1138 CZ PHE A 81 3.281 -0.189 0.339 1.00 54.34 C ATOM 0 H PHE A 81 5.890 -2.200 -2.975 1.00 31.44 H new ATOM 0 HA PHE A 81 6.281 -3.923 -0.886 1.00 44.32 H new ATOM 0 HB2 PHE A 81 3.929 -3.673 -2.799 1.00 30.52 H new ATOM 0 HB3 PHE A 81 3.867 -4.585 -1.304 1.00 30.52 H new ATOM 0 HD1 PHE A 81 4.428 -3.300 0.868 1.00 4.32 H new ATOM 0 HD2 PHE A 81 3.424 -1.392 -2.792 1.00 1.35 H new ATOM 0 HE1 PHE A 81 3.822 -1.269 2.096 1.00 13.33 H new ATOM 0 HE2 PHE A 81 2.817 0.644 -1.569 1.00 12.30 H new ATOM 0 HZ PHE A 81 3.012 0.706 0.880 1.00 54.34 H new ATOM 1148 N THR A 82 5.846 -5.591 -3.714 1.00 23.30 N ATOM 1149 CA THR A 82 6.011 -6.910 -4.307 1.00 51.23 C ATOM 1150 C THR A 82 7.486 -7.208 -4.617 1.00 72.32 C ATOM 1151 O THR A 82 7.854 -8.356 -4.869 1.00 41.14 O ATOM 1152 CB THR A 82 5.134 -7.105 -5.579 1.00 23.31 C ATOM 1153 OG1 THR A 82 5.217 -8.464 -6.031 1.00 1.21 O ATOM 1154 CG2 THR A 82 5.566 -6.173 -6.703 1.00 22.41 C ATOM 0 H THR A 82 5.533 -4.867 -4.360 1.00 23.30 H new ATOM 0 HA THR A 82 5.665 -7.626 -3.561 1.00 51.23 H new ATOM 0 HB THR A 82 4.105 -6.866 -5.310 1.00 23.31 H new ATOM 0 HG1 THR A 82 6.028 -8.880 -5.671 1.00 1.21 H new ATOM 0 HG21 THR A 82 4.932 -6.336 -7.575 1.00 22.41 H new ATOM 0 HG22 THR A 82 5.471 -5.138 -6.374 1.00 22.41 H new ATOM 0 HG23 THR A 82 6.604 -6.376 -6.966 1.00 22.41 H new ATOM 1162 N ARG A 83 8.318 -6.169 -4.602 1.00 3.40 N ATOM 1163 CA ARG A 83 9.752 -6.337 -4.818 1.00 62.15 C ATOM 1164 C ARG A 83 10.412 -6.940 -3.585 1.00 54.45 C ATOM 1165 O ARG A 83 11.028 -7.999 -3.653 1.00 3.00 O ATOM 1166 CB ARG A 83 10.429 -4.997 -5.150 1.00 70.12 C ATOM 1167 CG ARG A 83 10.055 -4.407 -6.502 1.00 4.34 C ATOM 1168 CD ARG A 83 10.491 -5.303 -7.648 1.00 20.02 C ATOM 1169 NE ARG A 83 10.279 -4.662 -8.945 1.00 2.11 N ATOM 1170 CZ ARG A 83 10.379 -5.287 -10.121 1.00 11.31 C ATOM 1171 NH1 ARG A 83 10.654 -6.587 -10.168 1.00 2.41 N ATOM 1172 NH2 ARG A 83 10.197 -4.609 -11.246 1.00 31.21 N ATOM 0 H ARG A 83 8.025 -5.205 -4.443 1.00 3.40 H new ATOM 0 HA ARG A 83 9.876 -7.012 -5.665 1.00 62.15 H new ATOM 0 HB2 ARG A 83 10.175 -4.276 -4.373 1.00 70.12 H new ATOM 0 HB3 ARG A 83 11.510 -5.135 -5.117 1.00 70.12 H new ATOM 0 HG2 ARG A 83 8.976 -4.258 -6.548 1.00 4.34 H new ATOM 0 HG3 ARG A 83 10.518 -3.426 -6.611 1.00 4.34 H new ATOM 0 HD2 ARG A 83 11.546 -5.553 -7.534 1.00 20.02 H new ATOM 0 HD3 ARG A 83 9.935 -6.240 -7.610 1.00 20.02 H new ATOM 0 HE ARG A 83 10.039 -3.671 -8.952 1.00 2.11 H new ATOM 0 HH11 ARG A 83 10.790 -7.111 -9.304 1.00 2.41 H new ATOM 0 HH12 ARG A 83 10.729 -7.060 -11.068 1.00 2.41 H new ATOM 0 HH21 ARG A 83 9.981 -3.613 -11.212 1.00 31.21 H new ATOM 0 HH22 ARG A 83 10.273 -5.084 -12.146 1.00 31.21 H new ATOM 1186 N GLN A 84 10.297 -6.244 -2.460 1.00 52.43 N ATOM 1187 CA GLN A 84 10.922 -6.688 -1.215 1.00 13.44 C ATOM 1188 C GLN A 84 10.040 -7.671 -0.445 1.00 73.35 C ATOM 1189 O GLN A 84 10.538 -8.512 0.301 1.00 70.25 O ATOM 1190 CB GLN A 84 11.262 -5.488 -0.330 1.00 40.13 C ATOM 1191 CG GLN A 84 12.091 -4.425 -1.028 1.00 31.53 C ATOM 1192 CD GLN A 84 12.621 -3.378 -0.072 1.00 35.21 C ATOM 1193 OE1 GLN A 84 13.727 -3.501 0.444 1.00 24.43 O ATOM 1194 NE2 GLN A 84 11.837 -2.349 0.175 1.00 73.55 N ATOM 0 H GLN A 84 9.777 -5.370 -2.382 1.00 52.43 H new ATOM 0 HA GLN A 84 11.840 -7.210 -1.486 1.00 13.44 H new ATOM 0 HB2 GLN A 84 10.336 -5.037 0.026 1.00 40.13 H new ATOM 0 HB3 GLN A 84 11.804 -5.839 0.549 1.00 40.13 H new ATOM 0 HG2 GLN A 84 12.928 -4.900 -1.540 1.00 31.53 H new ATOM 0 HG3 GLN A 84 11.484 -3.940 -1.792 1.00 31.53 H new ATOM 0 HE21 GLN A 84 10.924 -2.284 -0.275 1.00 73.55 H new ATOM 0 HE22 GLN A 84 12.143 -1.617 0.816 1.00 73.55 H new ATOM 1203 N GLY A 85 8.738 -7.550 -0.612 1.00 41.11 N ATOM 1204 CA GLY A 85 7.818 -8.420 0.101 1.00 53.43 C ATOM 1205 C GLY A 85 7.156 -7.708 1.267 1.00 61.31 C ATOM 1206 O GLY A 85 6.907 -8.307 2.312 1.00 64.42 O ATOM 0 H GLY A 85 8.295 -6.867 -1.227 1.00 41.11 H new ATOM 0 HA2 GLY A 85 7.053 -8.781 -0.586 1.00 53.43 H new ATOM 0 HA3 GLY A 85 8.355 -9.295 0.467 1.00 53.43 H new ATOM 1210 N GLN A 86 6.907 -6.419 1.093 1.00 33.41 N ATOM 1211 CA GLN A 86 6.254 -5.603 2.114 1.00 50.31 C ATOM 1212 C GLN A 86 4.744 -5.633 1.922 1.00 40.43 C ATOM 1213 O GLN A 86 4.237 -6.319 1.032 1.00 51.35 O ATOM 1214 CB GLN A 86 6.733 -4.150 2.026 1.00 3.33 C ATOM 1215 CG GLN A 86 8.228 -3.968 2.143 1.00 23.22 C ATOM 1216 CD GLN A 86 8.779 -4.449 3.471 1.00 63.42 C ATOM 1217 OE1 GLN A 86 9.170 -5.608 3.615 1.00 34.20 O ATOM 1218 NE2 GLN A 86 8.812 -3.565 4.448 1.00 62.42 N ATOM 0 H GLN A 86 7.150 -5.907 0.245 1.00 33.41 H new ATOM 0 HA GLN A 86 6.511 -6.013 3.091 1.00 50.31 H new ATOM 0 HB2 GLN A 86 6.403 -3.730 1.076 1.00 3.33 H new ATOM 0 HB3 GLN A 86 6.248 -3.574 2.814 1.00 3.33 H new ATOM 0 HG2 GLN A 86 8.719 -4.509 1.334 1.00 23.22 H new ATOM 0 HG3 GLN A 86 8.472 -2.913 2.015 1.00 23.22 H new ATOM 0 HE21 GLN A 86 8.478 -2.615 4.287 1.00 62.42 H new ATOM 0 HE22 GLN A 86 9.171 -3.831 5.365 1.00 62.42 H new ATOM 1227 N GLN A 87 4.032 -4.866 2.738 1.00 40.15 N ATOM 1228 CA GLN A 87 2.587 -4.746 2.602 1.00 13.45 C ATOM 1229 C GLN A 87 2.056 -3.480 3.287 1.00 33.54 C ATOM 1230 O GLN A 87 0.862 -3.178 3.212 1.00 40.01 O ATOM 1231 CB GLN A 87 1.861 -5.994 3.127 1.00 43.24 C ATOM 1232 CG GLN A 87 2.154 -6.333 4.577 1.00 24.42 C ATOM 1233 CD GLN A 87 1.327 -7.506 5.074 1.00 30.12 C ATOM 1234 OE1 GLN A 87 0.224 -7.327 5.604 1.00 21.23 O ATOM 1235 NE2 GLN A 87 1.841 -8.705 4.894 1.00 60.24 N ATOM 0 H GLN A 87 4.432 -4.318 3.500 1.00 40.15 H new ATOM 0 HA GLN A 87 2.377 -4.662 1.536 1.00 13.45 H new ATOM 0 HB2 GLN A 87 0.787 -5.849 3.012 1.00 43.24 H new ATOM 0 HB3 GLN A 87 2.136 -6.846 2.506 1.00 43.24 H new ATOM 0 HG2 GLN A 87 3.213 -6.566 4.686 1.00 24.42 H new ATOM 0 HG3 GLN A 87 1.954 -5.461 5.199 1.00 24.42 H new ATOM 0 HE21 GLN A 87 2.755 -8.807 4.452 1.00 60.24 H new ATOM 0 HE22 GLN A 87 1.325 -9.532 5.196 1.00 60.24 H new ATOM 1244 N SER A 88 2.935 -2.750 3.959 1.00 61.21 N ATOM 1245 CA SER A 88 2.564 -1.483 4.562 1.00 3.32 C ATOM 1246 C SER A 88 3.717 -0.500 4.471 1.00 23.31 C ATOM 1247 O SER A 88 4.882 -0.874 4.661 1.00 44.10 O ATOM 1248 CB SER A 88 2.138 -1.683 6.019 1.00 63.50 C ATOM 1249 OG SER A 88 3.095 -2.450 6.732 1.00 44.02 O ATOM 0 H SER A 88 3.910 -3.016 4.099 1.00 61.21 H new ATOM 0 HA SER A 88 1.716 -1.073 4.014 1.00 3.32 H new ATOM 0 HB2 SER A 88 2.013 -0.713 6.501 1.00 63.50 H new ATOM 0 HB3 SER A 88 1.170 -2.182 6.052 1.00 63.50 H new ATOM 0 HG SER A 88 2.799 -2.561 7.660 1.00 44.02 H new ATOM 1255 N ALA A 89 3.401 0.743 4.155 1.00 40.33 N ATOM 1256 CA ALA A 89 4.412 1.772 4.026 1.00 43.12 C ATOM 1257 C ALA A 89 3.825 3.146 4.272 1.00 65.34 C ATOM 1258 O ALA A 89 2.630 3.375 4.048 1.00 63.31 O ATOM 1259 CB ALA A 89 5.039 1.716 2.645 1.00 64.32 C ATOM 0 H ALA A 89 2.448 1.063 3.983 1.00 40.33 H new ATOM 0 HA ALA A 89 5.180 1.589 4.778 1.00 43.12 H new ATOM 0 HB1 ALA A 89 5.798 2.494 2.558 1.00 64.32 H new ATOM 0 HB2 ALA A 89 5.501 0.740 2.494 1.00 64.32 H new ATOM 0 HB3 ALA A 89 4.269 1.874 1.889 1.00 64.32 H new ATOM 1265 N GLN A 90 4.669 4.052 4.743 1.00 12.52 N ATOM 1266 CA GLN A 90 4.283 5.428 5.000 1.00 45.44 C ATOM 1267 C GLN A 90 5.406 6.362 4.584 1.00 33.24 C ATOM 1268 O GLN A 90 6.494 6.334 5.166 1.00 4.31 O ATOM 1269 CB GLN A 90 3.965 5.636 6.485 1.00 60.21 C ATOM 1270 CG GLN A 90 2.713 4.925 6.957 1.00 3.04 C ATOM 1271 CD GLN A 90 2.516 5.024 8.452 1.00 10.34 C ATOM 1272 OE1 GLN A 90 1.884 5.959 8.948 1.00 23.35 O ATOM 1273 NE2 GLN A 90 3.046 4.064 9.177 1.00 71.24 N ATOM 0 H GLN A 90 5.645 3.850 4.958 1.00 12.52 H new ATOM 0 HA GLN A 90 3.388 5.649 4.419 1.00 45.44 H new ATOM 0 HB2 GLN A 90 4.811 5.290 7.078 1.00 60.21 H new ATOM 0 HB3 GLN A 90 3.857 6.704 6.676 1.00 60.21 H new ATOM 0 HG2 GLN A 90 1.846 5.350 6.451 1.00 3.04 H new ATOM 0 HG3 GLN A 90 2.766 3.875 6.670 1.00 3.04 H new ATOM 0 HE21 GLN A 90 3.561 3.309 8.725 1.00 71.24 H new ATOM 0 HE22 GLN A 90 2.942 4.074 10.192 1.00 71.24 H new ATOM 1282 N LEU A 91 5.152 7.181 3.588 1.00 52.32 N ATOM 1283 CA LEU A 91 6.152 8.121 3.104 1.00 30.20 C ATOM 1284 C LEU A 91 5.650 9.544 3.261 1.00 11.30 C ATOM 1285 O LEU A 91 4.456 9.760 3.477 1.00 25.11 O ATOM 1286 CB LEU A 91 6.503 7.838 1.635 1.00 5.10 C ATOM 1287 CG LEU A 91 7.075 6.444 1.334 1.00 71.10 C ATOM 1288 CD1 LEU A 91 7.400 6.310 -0.142 1.00 31.13 C ATOM 1289 CD2 LEU A 91 8.314 6.171 2.176 1.00 64.31 C ATOM 0 H LEU A 91 4.261 7.219 3.093 1.00 52.32 H new ATOM 0 HA LEU A 91 7.057 7.997 3.700 1.00 30.20 H new ATOM 0 HB2 LEU A 91 5.604 7.977 1.034 1.00 5.10 H new ATOM 0 HB3 LEU A 91 7.226 8.584 1.305 1.00 5.10 H new ATOM 0 HG LEU A 91 6.317 5.705 1.593 1.00 71.10 H new ATOM 0 HD11 LEU A 91 7.804 5.317 -0.337 1.00 31.13 H new ATOM 0 HD12 LEU A 91 6.493 6.454 -0.729 1.00 31.13 H new ATOM 0 HD13 LEU A 91 8.137 7.063 -0.422 1.00 31.13 H new ATOM 0 HD21 LEU A 91 8.700 5.178 1.944 1.00 64.31 H new ATOM 0 HD22 LEU A 91 9.077 6.918 1.954 1.00 64.31 H new ATOM 0 HD23 LEU A 91 8.054 6.222 3.233 1.00 64.31 H new ATOM 1301 N ARG A 92 6.548 10.508 3.134 1.00 14.54 N ATOM 1302 CA ARG A 92 6.179 11.908 3.295 1.00 32.52 C ATOM 1303 C ARG A 92 5.573 12.437 2.011 1.00 50.52 C ATOM 1304 O ARG A 92 6.148 12.284 0.924 1.00 65.10 O ATOM 1305 CB ARG A 92 7.380 12.772 3.719 1.00 73.15 C ATOM 1306 CG ARG A 92 7.963 12.422 5.088 1.00 53.31 C ATOM 1307 CD ARG A 92 8.809 11.160 5.034 1.00 31.32 C ATOM 1308 NE ARG A 92 9.247 10.728 6.356 1.00 32.11 N ATOM 1309 CZ ARG A 92 9.920 9.597 6.586 1.00 63.33 C ATOM 1310 NH1 ARG A 92 10.281 8.809 5.569 1.00 0.34 N ATOM 1311 NH2 ARG A 92 10.244 9.256 7.827 1.00 33.53 N ATOM 0 H ARG A 92 7.533 10.350 2.921 1.00 14.54 H new ATOM 0 HA ARG A 92 5.438 11.967 4.093 1.00 32.52 H new ATOM 0 HB2 ARG A 92 8.164 12.674 2.969 1.00 73.15 H new ATOM 0 HB3 ARG A 92 7.074 13.818 3.725 1.00 73.15 H new ATOM 0 HG2 ARG A 92 8.571 13.252 5.448 1.00 53.31 H new ATOM 0 HG3 ARG A 92 7.153 12.286 5.804 1.00 53.31 H new ATOM 0 HD2 ARG A 92 8.235 10.361 4.565 1.00 31.32 H new ATOM 0 HD3 ARG A 92 9.681 11.337 4.405 1.00 31.32 H new ATOM 0 HE ARG A 92 9.026 11.325 7.153 1.00 32.11 H new ATOM 0 HH11 ARG A 92 10.043 9.070 4.612 1.00 0.34 H new ATOM 0 HH12 ARG A 92 10.795 7.947 5.750 1.00 0.34 H new ATOM 0 HH21 ARG A 92 9.979 9.858 8.607 1.00 33.53 H new ATOM 0 HH22 ARG A 92 10.758 8.392 8.001 1.00 33.53 H new ATOM 1325 N LEU A 93 4.419 13.061 2.138 1.00 42.12 N ATOM 1326 CA LEU A 93 3.678 13.531 0.984 1.00 44.42 C ATOM 1327 C LEU A 93 3.170 14.951 1.159 1.00 32.15 C ATOM 1328 O LEU A 93 3.087 15.473 2.275 1.00 1.22 O ATOM 1329 CB LEU A 93 2.488 12.608 0.713 1.00 72.34 C ATOM 1330 CG LEU A 93 2.568 11.727 -0.540 1.00 52.32 C ATOM 1331 CD1 LEU A 93 2.729 12.576 -1.792 1.00 74.32 C ATOM 1332 CD2 LEU A 93 3.692 10.706 -0.423 1.00 63.32 C ATOM 0 H LEU A 93 3.972 13.255 3.034 1.00 42.12 H new ATOM 0 HA LEU A 93 4.369 13.522 0.141 1.00 44.42 H new ATOM 0 HB2 LEU A 93 2.359 11.958 1.578 1.00 72.34 H new ATOM 0 HB3 LEU A 93 1.591 13.223 0.639 1.00 72.34 H new ATOM 0 HG LEU A 93 1.629 11.179 -0.624 1.00 52.32 H new ATOM 0 HD11 LEU A 93 2.783 11.928 -2.667 1.00 74.32 H new ATOM 0 HD12 LEU A 93 1.875 13.246 -1.889 1.00 74.32 H new ATOM 0 HD13 LEU A 93 3.644 13.163 -1.718 1.00 74.32 H new ATOM 0 HD21 LEU A 93 3.725 10.096 -1.326 1.00 63.32 H new ATOM 0 HD22 LEU A 93 4.643 11.224 -0.301 1.00 63.32 H new ATOM 0 HD23 LEU A 93 3.514 10.066 0.441 1.00 63.32 H new ATOM 1344 N HIS A 94 2.858 15.564 0.035 1.00 31.44 N ATOM 1345 CA HIS A 94 2.282 16.891 -0.007 1.00 34.22 C ATOM 1346 C HIS A 94 0.821 16.788 -0.445 1.00 42.04 C ATOM 1347 O HIS A 94 0.465 15.844 -1.147 1.00 31.21 O ATOM 1348 CB HIS A 94 3.073 17.797 -0.959 1.00 70.50 C ATOM 1349 CG HIS A 94 4.476 18.068 -0.507 1.00 34.51 C ATOM 1350 ND1 HIS A 94 4.946 18.633 0.629 1.00 63.31 N flip ATOM 1351 CD2 HIS A 94 5.585 17.755 -1.259 1.00 53.31 C flip ATOM 1352 CE1 HIS A 94 6.313 18.648 0.543 1.00 50.34 C flip ATOM 1353 NE2 HIS A 94 6.672 18.113 -0.606 1.00 51.23 N flip ATOM 0 H HIS A 94 2.999 15.149 -0.886 1.00 31.44 H new ATOM 0 HA HIS A 94 2.330 17.336 0.987 1.00 34.22 H new ATOM 0 HB2 HIS A 94 3.102 17.335 -1.946 1.00 70.50 H new ATOM 0 HB3 HIS A 94 2.546 18.745 -1.066 1.00 70.50 H new ATOM 0 HD1 HIS A 94 4.386 18.983 1.406 1.00 63.31 H new ATOM 0 HD2 HIS A 94 5.567 17.289 -2.233 1.00 53.31 H new ATOM 0 HE1 HIS A 94 6.986 19.035 1.294 1.00 50.34 H new ATOM 1362 N PRO A 95 -0.062 17.748 -0.052 1.00 52.54 N ATOM 1363 CA PRO A 95 0.290 18.929 0.765 1.00 3.34 C ATOM 1364 C PRO A 95 1.003 18.582 2.072 1.00 12.22 C ATOM 1365 O PRO A 95 0.716 17.568 2.702 1.00 62.41 O ATOM 1366 CB PRO A 95 -1.069 19.593 1.060 1.00 34.05 C ATOM 1367 CG PRO A 95 -2.094 18.575 0.696 1.00 21.53 C ATOM 1368 CD PRO A 95 -1.488 17.743 -0.391 1.00 33.23 C ATOM 0 HA PRO A 95 0.994 19.569 0.233 1.00 3.34 H new ATOM 0 HB2 PRO A 95 -1.149 19.873 2.110 1.00 34.05 H new ATOM 0 HB3 PRO A 95 -1.196 20.505 0.476 1.00 34.05 H new ATOM 0 HG2 PRO A 95 -2.355 17.960 1.557 1.00 21.53 H new ATOM 0 HG3 PRO A 95 -3.013 19.052 0.355 1.00 21.53 H new ATOM 0 HD2 PRO A 95 -1.897 16.733 -0.402 1.00 33.23 H new ATOM 0 HD3 PRO A 95 -1.670 18.171 -1.377 1.00 33.23 H new ATOM 1376 N GLU A 96 1.956 19.441 2.431 1.00 65.10 N ATOM 1377 CA GLU A 96 2.769 19.255 3.645 1.00 64.12 C ATOM 1378 C GLU A 96 1.904 18.907 4.860 1.00 14.14 C ATOM 1379 O GLU A 96 2.293 18.079 5.679 1.00 12.44 O ATOM 1380 CB GLU A 96 3.648 20.471 3.938 1.00 3.11 C ATOM 1381 CG GLU A 96 2.894 21.765 4.149 1.00 73.34 C ATOM 1382 CD GLU A 96 3.804 22.866 4.616 1.00 60.43 C ATOM 1383 OE1 GLU A 96 4.536 23.427 3.784 1.00 50.40 O ATOM 1384 OE2 GLU A 96 3.812 23.163 5.830 1.00 42.35 O ATOM 0 H GLU A 96 2.189 20.279 1.899 1.00 65.10 H new ATOM 0 HA GLU A 96 3.429 18.410 3.449 1.00 64.12 H new ATOM 0 HB2 GLU A 96 4.243 20.265 4.828 1.00 3.11 H new ATOM 0 HB3 GLU A 96 4.346 20.605 3.111 1.00 3.11 H new ATOM 0 HG2 GLU A 96 2.411 22.062 3.218 1.00 73.34 H new ATOM 0 HG3 GLU A 96 2.103 21.610 4.883 1.00 73.34 H new ATOM 1391 N GLU A 97 0.742 19.564 4.967 1.00 1.41 N ATOM 1392 CA GLU A 97 -0.243 19.285 6.024 1.00 31.32 C ATOM 1393 C GLU A 97 -0.463 17.777 6.251 1.00 62.23 C ATOM 1394 O GLU A 97 -0.646 17.339 7.392 1.00 4.41 O ATOM 1395 CB GLU A 97 -1.581 19.954 5.687 1.00 41.55 C ATOM 1396 CG GLU A 97 -2.684 19.656 6.690 1.00 10.33 C ATOM 1397 CD GLU A 97 -4.004 20.279 6.315 1.00 32.53 C ATOM 1398 OE1 GLU A 97 -4.713 19.712 5.464 1.00 23.24 O ATOM 1399 OE2 GLU A 97 -4.353 21.331 6.881 1.00 64.12 O ATOM 0 H GLU A 97 0.457 20.303 4.325 1.00 1.41 H new ATOM 0 HA GLU A 97 0.161 19.697 6.948 1.00 31.32 H new ATOM 0 HB2 GLU A 97 -1.434 21.033 5.632 1.00 41.55 H new ATOM 0 HB3 GLU A 97 -1.902 19.625 4.699 1.00 41.55 H new ATOM 0 HG2 GLU A 97 -2.809 18.576 6.775 1.00 10.33 H new ATOM 0 HG3 GLU A 97 -2.383 20.020 7.672 1.00 10.33 H new ATOM 1406 N LEU A 98 -0.440 16.993 5.173 1.00 51.10 N ATOM 1407 CA LEU A 98 -0.659 15.550 5.269 1.00 45.15 C ATOM 1408 C LEU A 98 0.430 14.883 6.086 1.00 64.54 C ATOM 1409 O LEU A 98 0.151 14.013 6.906 1.00 0.23 O ATOM 1410 CB LEU A 98 -0.711 14.910 3.878 1.00 44.15 C ATOM 1411 CG LEU A 98 -1.811 15.415 2.950 1.00 74.13 C ATOM 1412 CD1 LEU A 98 -1.803 14.639 1.643 1.00 44.22 C ATOM 1413 CD2 LEU A 98 -3.167 15.313 3.624 1.00 73.55 C ATOM 0 H LEU A 98 -0.272 17.332 4.226 1.00 51.10 H new ATOM 0 HA LEU A 98 -1.617 15.402 5.768 1.00 45.15 H new ATOM 0 HB2 LEU A 98 0.250 15.070 3.390 1.00 44.15 H new ATOM 0 HB3 LEU A 98 -0.831 13.834 3.999 1.00 44.15 H new ATOM 0 HG LEU A 98 -1.618 16.464 2.727 1.00 74.13 H new ATOM 0 HD11 LEU A 98 -2.594 15.013 0.993 1.00 44.22 H new ATOM 0 HD12 LEU A 98 -0.839 14.766 1.151 1.00 44.22 H new ATOM 0 HD13 LEU A 98 -1.970 13.581 1.847 1.00 44.22 H new ATOM 0 HD21 LEU A 98 -3.939 15.678 2.946 1.00 73.55 H new ATOM 0 HD22 LEU A 98 -3.370 14.273 3.878 1.00 73.55 H new ATOM 0 HD23 LEU A 98 -3.168 15.915 4.533 1.00 73.55 H new ATOM 1425 N GLY A 99 1.660 15.321 5.892 1.00 54.33 N ATOM 1426 CA GLY A 99 2.791 14.734 6.585 1.00 73.55 C ATOM 1427 C GLY A 99 3.193 13.362 6.061 1.00 1.21 C ATOM 1428 O GLY A 99 4.381 13.097 5.871 1.00 61.33 O ATOM 0 H GLY A 99 1.901 16.083 5.259 1.00 54.33 H new ATOM 0 HA2 GLY A 99 3.644 15.407 6.503 1.00 73.55 H new ATOM 0 HA3 GLY A 99 2.552 14.651 7.645 1.00 73.55 H new ATOM 1432 N GLN A 100 2.218 12.496 5.807 1.00 44.44 N ATOM 1433 CA GLN A 100 2.501 11.151 5.342 1.00 34.24 C ATOM 1434 C GLN A 100 1.277 10.543 4.663 1.00 4.45 C ATOM 1435 O GLN A 100 0.210 11.157 4.617 1.00 63.45 O ATOM 1436 CB GLN A 100 2.989 10.240 6.496 1.00 14.24 C ATOM 1437 CG GLN A 100 1.896 9.733 7.449 1.00 64.34 C ATOM 1438 CD GLN A 100 1.213 10.833 8.240 1.00 33.12 C ATOM 1439 OE1 GLN A 100 1.670 11.210 9.321 1.00 60.12 O ATOM 1440 NE2 GLN A 100 0.106 11.329 7.727 1.00 31.25 N ATOM 0 H GLN A 100 1.226 12.705 5.917 1.00 44.44 H new ATOM 0 HA GLN A 100 3.306 11.221 4.610 1.00 34.24 H new ATOM 0 HB2 GLN A 100 3.498 9.378 6.064 1.00 14.24 H new ATOM 0 HB3 GLN A 100 3.729 10.788 7.079 1.00 14.24 H new ATOM 0 HG2 GLN A 100 1.145 9.194 6.871 1.00 64.34 H new ATOM 0 HG3 GLN A 100 2.336 9.018 8.144 1.00 64.34 H new ATOM 0 HE21 GLN A 100 -0.237 10.988 6.829 1.00 31.25 H new ATOM 0 HE22 GLN A 100 -0.408 12.054 8.228 1.00 31.25 H new ATOM 1449 N VAL A 101 1.445 9.331 4.169 1.00 22.51 N ATOM 1450 CA VAL A 101 0.369 8.566 3.546 1.00 12.04 C ATOM 1451 C VAL A 101 0.478 7.121 4.010 1.00 25.23 C ATOM 1452 O VAL A 101 1.568 6.546 4.010 1.00 32.43 O ATOM 1453 CB VAL A 101 0.417 8.622 1.990 1.00 35.33 C ATOM 1454 CG1 VAL A 101 -0.629 7.692 1.382 1.00 72.33 C ATOM 1455 CG2 VAL A 101 0.185 10.039 1.502 1.00 52.51 C ATOM 0 H VAL A 101 2.339 8.841 4.187 1.00 22.51 H new ATOM 0 HA VAL A 101 -0.581 9.007 3.848 1.00 12.04 H new ATOM 0 HB VAL A 101 1.407 8.293 1.673 1.00 35.33 H new ATOM 0 HG11 VAL A 101 -0.577 7.748 0.295 1.00 72.33 H new ATOM 0 HG12 VAL A 101 -0.436 6.668 1.703 1.00 72.33 H new ATOM 0 HG13 VAL A 101 -1.622 7.995 1.714 1.00 72.33 H new ATOM 0 HG21 VAL A 101 0.222 10.059 0.413 1.00 52.51 H new ATOM 0 HG22 VAL A 101 -0.793 10.384 1.838 1.00 52.51 H new ATOM 0 HG23 VAL A 101 0.959 10.693 1.904 1.00 52.51 H new ATOM 1465 N HIS A 102 -0.631 6.551 4.414 1.00 43.45 N ATOM 1466 CA HIS A 102 -0.652 5.201 4.934 1.00 12.22 C ATOM 1467 C HIS A 102 -1.165 4.235 3.876 1.00 21.10 C ATOM 1468 O HIS A 102 -2.361 4.188 3.601 1.00 32.24 O ATOM 1469 CB HIS A 102 -1.530 5.139 6.192 1.00 34.21 C ATOM 1470 CG HIS A 102 -1.459 3.841 6.938 1.00 22.02 C ATOM 1471 ND1 HIS A 102 -2.559 3.058 7.192 1.00 72.53 N ATOM 1472 CD2 HIS A 102 -0.413 3.209 7.515 1.00 12.02 C ATOM 1473 CE1 HIS A 102 -2.197 2.005 7.889 1.00 43.01 C ATOM 1474 NE2 HIS A 102 -0.899 2.070 8.098 1.00 61.32 N ATOM 0 H HIS A 102 -1.543 7.006 4.393 1.00 43.45 H new ATOM 0 HA HIS A 102 0.363 4.908 5.201 1.00 12.22 H new ATOM 0 HB2 HIS A 102 -1.237 5.946 6.864 1.00 34.21 H new ATOM 0 HB3 HIS A 102 -2.566 5.323 5.906 1.00 34.21 H new ATOM 0 HD2 HIS A 102 0.615 3.541 7.516 1.00 12.02 H new ATOM 0 HE1 HIS A 102 -2.853 1.219 8.232 1.00 43.01 H new ATOM 0 HE2 HIS A 102 -0.346 1.384 8.611 1.00 61.32 H new ATOM 1483 N ILE A 103 -0.262 3.479 3.281 1.00 34.45 N ATOM 1484 CA ILE A 103 -0.639 2.524 2.257 1.00 71.13 C ATOM 1485 C ILE A 103 -0.704 1.121 2.843 1.00 3.02 C ATOM 1486 O ILE A 103 0.316 0.559 3.251 1.00 14.02 O ATOM 1487 CB ILE A 103 0.342 2.526 1.045 1.00 31.31 C ATOM 1488 CG1 ILE A 103 0.449 3.923 0.419 1.00 10.45 C ATOM 1489 CG2 ILE A 103 -0.105 1.514 -0.005 1.00 41.32 C ATOM 1490 CD1 ILE A 103 1.517 4.799 1.043 1.00 14.41 C ATOM 0 H ILE A 103 0.736 3.508 3.489 1.00 34.45 H new ATOM 0 HA ILE A 103 -1.620 2.828 1.893 1.00 71.13 H new ATOM 0 HB ILE A 103 1.328 2.242 1.414 1.00 31.31 H new ATOM 0 HG12 ILE A 103 0.657 3.818 -0.646 1.00 10.45 H new ATOM 0 HG13 ILE A 103 -0.515 4.424 0.508 1.00 10.45 H new ATOM 0 HG21 ILE A 103 0.591 1.529 -0.844 1.00 41.32 H new ATOM 0 HG22 ILE A 103 -0.122 0.517 0.435 1.00 41.32 H new ATOM 0 HG23 ILE A 103 -1.104 1.772 -0.357 1.00 41.32 H new ATOM 0 HD11 ILE A 103 1.529 5.769 0.545 1.00 14.41 H new ATOM 0 HD12 ILE A 103 1.301 4.938 2.102 1.00 14.41 H new ATOM 0 HD13 ILE A 103 2.490 4.322 0.931 1.00 14.41 H new ATOM 1502 N SER A 104 -1.902 0.572 2.904 1.00 74.01 N ATOM 1503 CA SER A 104 -2.090 -0.770 3.416 1.00 63.11 C ATOM 1504 C SER A 104 -2.520 -1.710 2.296 1.00 54.25 C ATOM 1505 O SER A 104 -3.713 -1.840 2.001 1.00 1.12 O ATOM 1506 CB SER A 104 -3.125 -0.777 4.539 1.00 14.33 C ATOM 1507 OG SER A 104 -2.838 0.221 5.501 1.00 64.41 O ATOM 0 H SER A 104 -2.760 1.036 2.605 1.00 74.01 H new ATOM 0 HA SER A 104 -1.140 -1.119 3.820 1.00 63.11 H new ATOM 0 HB2 SER A 104 -4.119 -0.611 4.123 1.00 14.33 H new ATOM 0 HB3 SER A 104 -3.140 -1.756 5.019 1.00 14.33 H new ATOM 0 HG SER A 104 -3.515 0.198 6.209 1.00 64.41 H new ATOM 1513 N LEU A 105 -1.551 -2.330 1.655 1.00 11.40 N ATOM 1514 CA LEU A 105 -1.822 -3.253 0.568 1.00 23.43 C ATOM 1515 C LEU A 105 -2.065 -4.671 1.068 1.00 34.12 C ATOM 1516 O LEU A 105 -1.179 -5.313 1.631 1.00 61.14 O ATOM 1517 CB LEU A 105 -0.640 -3.243 -0.415 1.00 40.24 C ATOM 1518 CG LEU A 105 -0.609 -4.375 -1.448 1.00 24.31 C ATOM 1519 CD1 LEU A 105 -1.845 -4.347 -2.323 1.00 5.05 C ATOM 1520 CD2 LEU A 105 0.648 -4.287 -2.298 1.00 12.14 C ATOM 0 H LEU A 105 -0.561 -2.211 1.869 1.00 11.40 H new ATOM 0 HA LEU A 105 -2.732 -2.923 0.067 1.00 23.43 H new ATOM 0 HB2 LEU A 105 -0.646 -2.293 -0.949 1.00 40.24 H new ATOM 0 HB3 LEU A 105 0.285 -3.279 0.161 1.00 40.24 H new ATOM 0 HG LEU A 105 -0.598 -5.323 -0.910 1.00 24.31 H new ATOM 0 HD11 LEU A 105 -1.797 -5.161 -3.047 1.00 5.05 H new ATOM 0 HD12 LEU A 105 -2.733 -4.466 -1.702 1.00 5.05 H new ATOM 0 HD13 LEU A 105 -1.896 -3.395 -2.851 1.00 5.05 H new ATOM 0 HD21 LEU A 105 0.653 -5.099 -3.026 1.00 12.14 H new ATOM 0 HD22 LEU A 105 0.667 -3.331 -2.821 1.00 12.14 H new ATOM 0 HD23 LEU A 105 1.526 -4.368 -1.658 1.00 12.14 H new ATOM 1532 N LYS A 106 -3.287 -5.137 0.860 1.00 41.32 N ATOM 1533 CA LYS A 106 -3.676 -6.489 1.219 1.00 21.42 C ATOM 1534 C LYS A 106 -3.819 -7.351 -0.023 1.00 43.33 C ATOM 1535 O LYS A 106 -4.881 -7.373 -0.658 1.00 65.13 O ATOM 1536 CB LYS A 106 -5.003 -6.487 1.969 1.00 75.54 C ATOM 1537 CG LYS A 106 -4.940 -5.943 3.382 1.00 31.12 C ATOM 1538 CD LYS A 106 -6.341 -5.713 3.937 1.00 72.32 C ATOM 1539 CE LYS A 106 -7.204 -6.968 3.855 1.00 72.14 C ATOM 1540 NZ LYS A 106 -8.621 -6.684 4.191 1.00 75.20 N ATOM 0 H LYS A 106 -4.035 -4.588 0.438 1.00 41.32 H new ATOM 0 HA LYS A 106 -2.896 -6.898 1.861 1.00 21.42 H new ATOM 0 HB2 LYS A 106 -5.723 -5.898 1.401 1.00 75.54 H new ATOM 0 HB3 LYS A 106 -5.384 -7.508 2.005 1.00 75.54 H new ATOM 0 HG2 LYS A 106 -4.401 -6.642 4.022 1.00 31.12 H new ATOM 0 HG3 LYS A 106 -4.382 -5.007 3.391 1.00 31.12 H new ATOM 0 HD2 LYS A 106 -6.270 -5.389 4.975 1.00 72.32 H new ATOM 0 HD3 LYS A 106 -6.822 -4.906 3.384 1.00 72.32 H new ATOM 0 HE2 LYS A 106 -7.145 -7.385 2.850 1.00 72.14 H new ATOM 0 HE3 LYS A 106 -6.813 -7.723 4.537 1.00 72.14 H new ATOM 0 HZ1 LYS A 106 -9.136 -7.580 4.307 1.00 75.20 H new ATOM 0 HZ2 LYS A 106 -8.666 -6.141 5.077 1.00 75.20 H new ATOM 0 HZ3 LYS A 106 -9.055 -6.131 3.425 1.00 75.20 H new ATOM 1554 N LEU A 107 -2.751 -8.012 -0.405 1.00 71.44 N ATOM 1555 CA LEU A 107 -2.809 -8.934 -1.518 1.00 14.52 C ATOM 1556 C LEU A 107 -3.352 -10.282 -1.070 1.00 71.45 C ATOM 1557 O LEU A 107 -2.642 -11.092 -0.470 1.00 52.30 O ATOM 1558 CB LEU A 107 -1.415 -9.102 -2.145 1.00 2.21 C ATOM 1559 CG LEU A 107 -1.310 -10.108 -3.300 1.00 64.30 C ATOM 1560 CD1 LEU A 107 -2.163 -9.675 -4.479 1.00 74.23 C ATOM 1561 CD2 LEU A 107 0.140 -10.279 -3.726 1.00 55.32 C ATOM 0 H LEU A 107 -1.835 -7.930 0.036 1.00 71.44 H new ATOM 0 HA LEU A 107 -3.484 -8.524 -2.269 1.00 14.52 H new ATOM 0 HB2 LEU A 107 -1.082 -8.129 -2.506 1.00 2.21 H new ATOM 0 HB3 LEU A 107 -0.721 -9.406 -1.361 1.00 2.21 H new ATOM 0 HG LEU A 107 -1.685 -11.069 -2.947 1.00 64.30 H new ATOM 0 HD11 LEU A 107 -2.070 -10.405 -5.283 1.00 74.23 H new ATOM 0 HD12 LEU A 107 -3.206 -9.608 -4.168 1.00 74.23 H new ATOM 0 HD13 LEU A 107 -1.826 -8.701 -4.833 1.00 74.23 H new ATOM 0 HD21 LEU A 107 0.196 -10.995 -4.546 1.00 55.32 H new ATOM 0 HD22 LEU A 107 0.538 -9.319 -4.055 1.00 55.32 H new ATOM 0 HD23 LEU A 107 0.726 -10.645 -2.883 1.00 55.32 H new ATOM 1573 N ASP A 108 -4.626 -10.492 -1.330 1.00 32.13 N ATOM 1574 CA ASP A 108 -5.289 -11.746 -1.021 1.00 15.24 C ATOM 1575 C ASP A 108 -5.493 -12.492 -2.319 1.00 31.04 C ATOM 1576 O ASP A 108 -5.665 -11.855 -3.355 1.00 23.42 O ATOM 1577 CB ASP A 108 -6.630 -11.489 -0.322 1.00 73.32 C ATOM 1578 CG ASP A 108 -7.359 -12.767 0.045 1.00 22.43 C ATOM 1579 OD1 ASP A 108 -6.876 -13.504 0.935 1.00 30.13 O ATOM 1580 OD2 ASP A 108 -8.432 -13.033 -0.540 1.00 21.02 O ATOM 0 H ASP A 108 -5.234 -9.797 -1.763 1.00 32.13 H new ATOM 0 HA ASP A 108 -4.679 -12.340 -0.340 1.00 15.24 H new ATOM 0 HB2 ASP A 108 -6.457 -10.903 0.581 1.00 73.32 H new ATOM 0 HB3 ASP A 108 -7.265 -10.889 -0.974 1.00 73.32 H new ATOM 1585 N ASP A 109 -5.511 -13.826 -2.266 1.00 52.32 N ATOM 1586 CA ASP A 109 -5.573 -14.674 -3.476 1.00 20.42 C ATOM 1587 C ASP A 109 -4.598 -14.182 -4.553 1.00 43.22 C ATOM 1588 O ASP A 109 -3.417 -14.518 -4.527 1.00 25.23 O ATOM 1589 CB ASP A 109 -7.006 -14.768 -4.033 1.00 25.30 C ATOM 1590 CG ASP A 109 -7.140 -15.815 -5.132 1.00 13.31 C ATOM 1591 OD1 ASP A 109 -6.915 -15.485 -6.314 1.00 63.04 O ATOM 1592 OD2 ASP A 109 -7.479 -16.973 -4.814 1.00 2.22 O ATOM 0 H ASP A 109 -5.483 -14.353 -1.393 1.00 52.32 H new ATOM 0 HA ASP A 109 -5.268 -15.678 -3.180 1.00 20.42 H new ATOM 0 HB2 ASP A 109 -7.692 -15.009 -3.221 1.00 25.30 H new ATOM 0 HB3 ASP A 109 -7.304 -13.795 -4.425 1.00 25.30 H new ATOM 1597 N ASN A 110 -5.095 -13.363 -5.476 1.00 31.01 N ATOM 1598 CA ASN A 110 -4.275 -12.786 -6.536 1.00 34.32 C ATOM 1599 C ASN A 110 -4.770 -11.389 -6.861 1.00 32.44 C ATOM 1600 O ASN A 110 -4.492 -10.854 -7.931 1.00 70.44 O ATOM 1601 CB ASN A 110 -4.331 -13.645 -7.808 1.00 32.34 C ATOM 1602 CG ASN A 110 -3.606 -14.966 -7.673 1.00 2.13 C ATOM 1603 OD1 ASN A 110 -2.414 -15.065 -7.958 1.00 33.41 O ATOM 1604 ND2 ASN A 110 -4.318 -15.985 -7.238 1.00 1.23 N ATOM 0 H ASN A 110 -6.075 -13.082 -5.510 1.00 31.01 H new ATOM 0 HA ASN A 110 -3.244 -12.748 -6.184 1.00 34.32 H new ATOM 0 HB2 ASN A 110 -5.373 -13.835 -8.063 1.00 32.34 H new ATOM 0 HB3 ASN A 110 -3.897 -13.084 -8.636 1.00 32.34 H new ATOM 0 HD21 ASN A 110 -3.883 -16.901 -7.126 1.00 1.23 H new ATOM 0 HD22 ASN A 110 -5.305 -15.859 -7.013 1.00 1.23 H new ATOM 1611 N GLN A 111 -5.479 -10.793 -5.918 1.00 23.52 N ATOM 1612 CA GLN A 111 -6.040 -9.465 -6.098 1.00 63.45 C ATOM 1613 C GLN A 111 -5.529 -8.518 -5.022 1.00 72.13 C ATOM 1614 O GLN A 111 -5.653 -8.785 -3.821 1.00 32.24 O ATOM 1615 CB GLN A 111 -7.572 -9.518 -6.117 1.00 21.45 C ATOM 1616 CG GLN A 111 -8.188 -10.286 -4.960 1.00 22.41 C ATOM 1617 CD GLN A 111 -9.693 -10.382 -5.074 1.00 60.55 C ATOM 1618 OE1 GLN A 111 -10.423 -9.538 -4.560 1.00 73.02 O ATOM 1619 NE2 GLN A 111 -10.166 -11.403 -5.759 1.00 14.15 N ATOM 0 H GLN A 111 -5.681 -11.213 -5.011 1.00 23.52 H new ATOM 0 HA GLN A 111 -5.713 -9.080 -7.064 1.00 63.45 H new ATOM 0 HB2 GLN A 111 -7.959 -8.499 -6.108 1.00 21.45 H new ATOM 0 HB3 GLN A 111 -7.896 -9.973 -7.053 1.00 21.45 H new ATOM 0 HG2 GLN A 111 -7.763 -11.289 -4.925 1.00 22.41 H new ATOM 0 HG3 GLN A 111 -7.927 -9.797 -4.022 1.00 22.41 H new ATOM 0 HE21 GLN A 111 -9.525 -12.082 -6.170 1.00 14.15 H new ATOM 0 HE22 GLN A 111 -11.173 -11.515 -5.878 1.00 14.15 H new ATOM 1628 N ALA A 112 -4.939 -7.426 -5.457 1.00 4.34 N ATOM 1629 CA ALA A 112 -4.334 -6.465 -4.560 1.00 22.05 C ATOM 1630 C ALA A 112 -5.294 -5.357 -4.152 1.00 30.33 C ATOM 1631 O ALA A 112 -5.851 -4.652 -4.997 1.00 71.10 O ATOM 1632 CB ALA A 112 -3.109 -5.866 -5.229 1.00 22.44 C ATOM 0 H ALA A 112 -4.865 -7.179 -6.444 1.00 4.34 H new ATOM 0 HA ALA A 112 -4.055 -6.993 -3.648 1.00 22.05 H new ATOM 0 HB1 ALA A 112 -2.647 -5.140 -4.559 1.00 22.44 H new ATOM 0 HB2 ALA A 112 -2.394 -6.657 -5.455 1.00 22.44 H new ATOM 0 HB3 ALA A 112 -3.405 -5.370 -6.153 1.00 22.44 H new ATOM 1638 N GLN A 113 -5.488 -5.227 -2.845 1.00 3.12 N ATOM 1639 CA GLN A 113 -6.305 -4.167 -2.279 1.00 2.45 C ATOM 1640 C GLN A 113 -5.424 -3.043 -1.736 1.00 15.25 C ATOM 1641 O GLN A 113 -4.681 -3.234 -0.769 1.00 75.43 O ATOM 1642 CB GLN A 113 -7.194 -4.710 -1.158 1.00 44.45 C ATOM 1643 CG GLN A 113 -7.917 -3.625 -0.367 1.00 22.33 C ATOM 1644 CD GLN A 113 -8.672 -4.171 0.826 1.00 32.32 C ATOM 1645 OE1 GLN A 113 -8.303 -5.197 1.392 1.00 11.14 O ATOM 1646 NE2 GLN A 113 -9.709 -3.472 1.236 1.00 14.33 N ATOM 0 H GLN A 113 -5.083 -5.854 -2.150 1.00 3.12 H new ATOM 0 HA GLN A 113 -6.939 -3.771 -3.072 1.00 2.45 H new ATOM 0 HB2 GLN A 113 -7.933 -5.387 -1.588 1.00 44.45 H new ATOM 0 HB3 GLN A 113 -6.582 -5.299 -0.474 1.00 44.45 H new ATOM 0 HG2 GLN A 113 -7.191 -2.887 -0.025 1.00 22.33 H new ATOM 0 HG3 GLN A 113 -8.614 -3.106 -1.025 1.00 22.33 H new ATOM 0 HE21 GLN A 113 -9.983 -2.625 0.737 1.00 14.33 H new ATOM 0 HE22 GLN A 113 -10.239 -3.777 2.052 1.00 14.33 H new ATOM 1655 N LEU A 114 -5.504 -1.883 -2.361 1.00 51.31 N ATOM 1656 CA LEU A 114 -4.739 -0.720 -1.925 1.00 41.32 C ATOM 1657 C LEU A 114 -5.589 0.197 -1.061 1.00 11.50 C ATOM 1658 O LEU A 114 -6.498 0.857 -1.555 1.00 70.12 O ATOM 1659 CB LEU A 114 -4.197 0.066 -3.126 1.00 23.51 C ATOM 1660 CG LEU A 114 -3.042 -0.578 -3.896 1.00 33.14 C ATOM 1661 CD1 LEU A 114 -2.665 0.277 -5.096 1.00 73.02 C ATOM 1662 CD2 LEU A 114 -1.837 -0.765 -2.988 1.00 61.13 C ATOM 0 H LEU A 114 -6.093 -1.717 -3.177 1.00 51.31 H new ATOM 0 HA LEU A 114 -3.899 -1.086 -1.335 1.00 41.32 H new ATOM 0 HB2 LEU A 114 -5.019 0.236 -3.822 1.00 23.51 H new ATOM 0 HB3 LEU A 114 -3.870 1.044 -2.774 1.00 23.51 H new ATOM 0 HG LEU A 114 -3.367 -1.556 -4.250 1.00 33.14 H new ATOM 0 HD11 LEU A 114 -1.842 -0.194 -5.634 1.00 73.02 H new ATOM 0 HD12 LEU A 114 -3.525 0.372 -5.759 1.00 73.02 H new ATOM 0 HD13 LEU A 114 -2.358 1.266 -4.756 1.00 73.02 H new ATOM 0 HD21 LEU A 114 -1.025 -1.224 -3.551 1.00 61.13 H new ATOM 0 HD22 LEU A 114 -1.513 0.204 -2.609 1.00 61.13 H new ATOM 0 HD23 LEU A 114 -2.108 -1.409 -2.152 1.00 61.13 H new ATOM 1674 N GLN A 115 -5.316 0.207 0.227 1.00 70.25 N ATOM 1675 CA GLN A 115 -6.028 1.078 1.150 1.00 73.34 C ATOM 1676 C GLN A 115 -5.234 2.352 1.378 1.00 74.41 C ATOM 1677 O GLN A 115 -4.053 2.294 1.733 1.00 52.33 O ATOM 1678 CB GLN A 115 -6.256 0.371 2.476 1.00 24.44 C ATOM 1679 CG GLN A 115 -6.961 -0.962 2.349 1.00 73.11 C ATOM 1680 CD GLN A 115 -6.973 -1.726 3.647 1.00 34.03 C ATOM 1681 OE1 GLN A 115 -7.896 -1.601 4.454 1.00 11.23 O ATOM 1682 NE2 GLN A 115 -5.941 -2.513 3.867 1.00 41.33 N ATOM 0 H GLN A 115 -4.604 -0.379 0.664 1.00 70.25 H new ATOM 0 HA GLN A 115 -6.995 1.330 0.715 1.00 73.34 H new ATOM 0 HB2 GLN A 115 -5.294 0.216 2.964 1.00 24.44 H new ATOM 0 HB3 GLN A 115 -6.842 1.020 3.126 1.00 24.44 H new ATOM 0 HG2 GLN A 115 -7.986 -0.799 2.016 1.00 73.11 H new ATOM 0 HG3 GLN A 115 -6.468 -1.560 1.582 1.00 73.11 H new ATOM 0 HE21 GLN A 115 -5.199 -2.587 3.172 1.00 41.33 H new ATOM 0 HE22 GLN A 115 -5.884 -3.049 4.733 1.00 41.33 H new ATOM 1691 N MET A 116 -5.874 3.491 1.166 1.00 75.42 N ATOM 1692 CA MET A 116 -5.229 4.785 1.338 1.00 70.20 C ATOM 1693 C MET A 116 -6.191 5.782 1.964 1.00 14.34 C ATOM 1694 O MET A 116 -7.409 5.714 1.747 1.00 63.21 O ATOM 1695 CB MET A 116 -4.733 5.334 -0.005 1.00 61.32 C ATOM 1696 CG MET A 116 -3.744 4.433 -0.720 1.00 64.15 C ATOM 1697 SD MET A 116 -3.233 5.097 -2.307 1.00 74.12 S ATOM 1698 CE MET A 116 -2.373 3.691 -2.982 1.00 20.21 C ATOM 0 H MET A 116 -6.849 3.546 0.872 1.00 75.42 H new ATOM 0 HA MET A 116 -4.374 4.643 1.999 1.00 70.20 H new ATOM 0 HB2 MET A 116 -5.591 5.500 -0.656 1.00 61.32 H new ATOM 0 HB3 MET A 116 -4.267 6.305 0.162 1.00 61.32 H new ATOM 0 HG2 MET A 116 -2.866 4.290 -0.090 1.00 64.15 H new ATOM 0 HG3 MET A 116 -4.193 3.451 -0.868 1.00 64.15 H new ATOM 0 HE1 MET A 116 -1.320 3.938 -3.115 1.00 20.21 H new ATOM 0 HE2 MET A 116 -2.464 2.846 -2.299 1.00 20.21 H new ATOM 0 HE3 MET A 116 -2.808 3.427 -3.946 1.00 20.21 H new ATOM 1708 N VAL A 117 -5.650 6.702 2.735 1.00 33.23 N ATOM 1709 CA VAL A 117 -6.441 7.744 3.359 1.00 61.24 C ATOM 1710 C VAL A 117 -5.855 9.104 3.009 1.00 45.24 C ATOM 1711 O VAL A 117 -4.742 9.432 3.417 1.00 45.02 O ATOM 1712 CB VAL A 117 -6.502 7.585 4.905 1.00 25.32 C ATOM 1713 CG1 VAL A 117 -7.308 8.714 5.536 1.00 63.33 C ATOM 1714 CG2 VAL A 117 -7.098 6.234 5.281 1.00 13.22 C ATOM 0 H VAL A 117 -4.653 6.749 2.947 1.00 33.23 H new ATOM 0 HA VAL A 117 -7.459 7.661 2.978 1.00 61.24 H new ATOM 0 HB VAL A 117 -5.484 7.635 5.290 1.00 25.32 H new ATOM 0 HG11 VAL A 117 -7.336 8.581 6.617 1.00 63.33 H new ATOM 0 HG12 VAL A 117 -6.841 9.670 5.300 1.00 63.33 H new ATOM 0 HG13 VAL A 117 -8.324 8.700 5.142 1.00 63.33 H new ATOM 0 HG21 VAL A 117 -7.133 6.141 6.366 1.00 13.22 H new ATOM 0 HG22 VAL A 117 -8.108 6.157 4.878 1.00 13.22 H new ATOM 0 HG23 VAL A 117 -6.481 5.436 4.868 1.00 13.22 H new ATOM 1724 N SER A 118 -6.591 9.888 2.259 1.00 74.12 N ATOM 1725 CA SER A 118 -6.112 11.177 1.834 1.00 32.10 C ATOM 1726 C SER A 118 -7.280 12.116 1.521 1.00 12.41 C ATOM 1727 O SER A 118 -8.212 11.741 0.796 1.00 32.31 O ATOM 1728 CB SER A 118 -5.226 11.014 0.592 1.00 54.14 C ATOM 1729 OG SER A 118 -5.916 10.316 -0.437 1.00 63.14 O ATOM 0 H SER A 118 -7.528 9.653 1.930 1.00 74.12 H new ATOM 0 HA SER A 118 -5.528 11.615 2.644 1.00 32.10 H new ATOM 0 HB2 SER A 118 -4.919 11.995 0.229 1.00 54.14 H new ATOM 0 HB3 SER A 118 -4.317 10.473 0.857 1.00 54.14 H new ATOM 0 HG SER A 118 -6.874 10.517 -0.383 1.00 63.14 H new ATOM 1735 N PRO A 119 -7.255 13.329 2.103 1.00 34.12 N ATOM 1736 CA PRO A 119 -8.256 14.384 1.851 1.00 15.31 C ATOM 1737 C PRO A 119 -8.379 14.743 0.363 1.00 5.24 C ATOM 1738 O PRO A 119 -7.633 14.237 -0.485 1.00 33.42 O ATOM 1739 CB PRO A 119 -7.718 15.584 2.638 1.00 54.15 C ATOM 1740 CG PRO A 119 -6.880 14.981 3.704 1.00 12.30 C ATOM 1741 CD PRO A 119 -6.254 13.763 3.092 1.00 42.12 C ATOM 0 HA PRO A 119 -9.255 14.066 2.151 1.00 15.31 H new ATOM 0 HB2 PRO A 119 -7.133 16.247 2.001 1.00 54.15 H new ATOM 0 HB3 PRO A 119 -8.529 16.179 3.059 1.00 54.15 H new ATOM 0 HG2 PRO A 119 -6.119 15.682 4.046 1.00 12.30 H new ATOM 0 HG3 PRO A 119 -7.483 14.716 4.573 1.00 12.30 H new ATOM 0 HD2 PRO A 119 -5.298 13.995 2.622 1.00 42.12 H new ATOM 0 HD3 PRO A 119 -6.064 12.991 3.837 1.00 42.12 H new ATOM 1749 N HIS A 120 -9.299 15.637 0.050 1.00 33.35 N ATOM 1750 CA HIS A 120 -9.528 16.021 -1.327 1.00 32.02 C ATOM 1751 C HIS A 120 -8.561 17.108 -1.732 1.00 3.22 C ATOM 1752 O HIS A 120 -8.608 18.231 -1.232 1.00 32.22 O ATOM 1753 CB HIS A 120 -10.971 16.506 -1.536 1.00 74.15 C ATOM 1754 CG HIS A 120 -11.988 15.407 -1.598 1.00 51.33 C ATOM 1755 ND1 HIS A 120 -12.277 14.418 -0.726 1.00 22.03 N flip ATOM 1756 CD2 HIS A 120 -12.860 15.247 -2.656 1.00 22.03 C flip ATOM 1757 CE1 HIS A 120 -13.304 13.686 -1.261 1.00 34.45 C flip ATOM 1758 NE2 HIS A 120 -13.639 14.206 -2.424 1.00 3.40 N flip ATOM 0 H HIS A 120 -9.897 16.108 0.729 1.00 33.35 H new ATOM 0 HA HIS A 120 -9.368 15.142 -1.951 1.00 32.02 H new ATOM 0 HB2 HIS A 120 -11.235 17.184 -0.725 1.00 74.15 H new ATOM 0 HB3 HIS A 120 -11.018 17.081 -2.461 1.00 74.15 H new ATOM 0 HD2 HIS A 120 -12.899 15.874 -3.535 1.00 22.03 H new ATOM 0 HE1 HIS A 120 -13.764 12.823 -0.804 1.00 34.45 H new ATOM 0 HE2 HIS A 120 -14.375 13.863 -3.041 1.00 3.40 H new ATOM 1767 N SER A 121 -7.674 16.745 -2.624 1.00 21.44 N ATOM 1768 CA SER A 121 -6.669 17.633 -3.150 1.00 51.35 C ATOM 1769 C SER A 121 -6.308 17.162 -4.550 1.00 42.04 C ATOM 1770 O SER A 121 -6.746 16.088 -4.970 1.00 53.23 O ATOM 1771 CB SER A 121 -5.435 17.632 -2.239 1.00 65.51 C ATOM 1772 OG SER A 121 -5.789 17.980 -0.909 1.00 61.32 O ATOM 0 H SER A 121 -7.630 15.803 -3.013 1.00 21.44 H new ATOM 0 HA SER A 121 -7.048 18.654 -3.192 1.00 51.35 H new ATOM 0 HB2 SER A 121 -4.970 16.646 -2.250 1.00 65.51 H new ATOM 0 HB3 SER A 121 -4.696 18.337 -2.620 1.00 65.51 H new ATOM 0 HG SER A 121 -4.988 17.972 -0.344 1.00 61.32 H new ATOM 1778 N HIS A 122 -5.515 17.932 -5.267 1.00 45.11 N ATOM 1779 CA HIS A 122 -5.166 17.568 -6.635 1.00 71.33 C ATOM 1780 C HIS A 122 -4.275 16.332 -6.703 1.00 64.44 C ATOM 1781 O HIS A 122 -4.230 15.652 -7.731 1.00 71.15 O ATOM 1782 CB HIS A 122 -4.567 18.745 -7.398 1.00 1.34 C ATOM 1783 CG HIS A 122 -5.614 19.674 -7.931 1.00 22.44 C ATOM 1784 ND1 HIS A 122 -5.973 19.717 -9.260 1.00 3.54 N ATOM 1785 CD2 HIS A 122 -6.408 20.574 -7.302 1.00 72.41 C ATOM 1786 CE1 HIS A 122 -6.938 20.597 -9.426 1.00 34.22 C ATOM 1787 NE2 HIS A 122 -7.221 21.133 -8.255 1.00 64.21 N ATOM 0 H HIS A 122 -5.102 18.804 -4.936 1.00 45.11 H new ATOM 0 HA HIS A 122 -6.098 17.301 -7.132 1.00 71.33 H new ATOM 0 HB2 HIS A 122 -3.896 19.297 -6.740 1.00 1.34 H new ATOM 0 HB3 HIS A 122 -3.964 18.369 -8.225 1.00 1.34 H new ATOM 0 HD2 HIS A 122 -6.402 20.808 -6.248 1.00 72.41 H new ATOM 0 HE1 HIS A 122 -7.417 20.839 -10.363 1.00 34.22 H new ATOM 0 HE2 HIS A 122 -7.929 21.847 -8.085 1.00 64.21 H new ATOM 1796 N VAL A 123 -3.573 16.030 -5.614 1.00 73.21 N ATOM 1797 CA VAL A 123 -2.779 14.804 -5.551 1.00 22.44 C ATOM 1798 C VAL A 123 -3.691 13.582 -5.586 1.00 74.33 C ATOM 1799 O VAL A 123 -3.314 12.534 -6.086 1.00 53.12 O ATOM 1800 CB VAL A 123 -1.881 14.731 -4.286 1.00 43.21 C ATOM 1801 CG1 VAL A 123 -0.718 15.697 -4.393 1.00 13.44 C ATOM 1802 CG2 VAL A 123 -2.689 15.005 -3.023 1.00 31.31 C ATOM 0 H VAL A 123 -3.536 16.607 -4.774 1.00 73.21 H new ATOM 0 HA VAL A 123 -2.124 14.815 -6.422 1.00 22.44 H new ATOM 0 HB VAL A 123 -1.482 13.719 -4.220 1.00 43.21 H new ATOM 0 HG11 VAL A 123 -0.104 15.628 -3.495 1.00 13.44 H new ATOM 0 HG12 VAL A 123 -0.115 15.446 -5.266 1.00 13.44 H new ATOM 0 HG13 VAL A 123 -1.098 16.714 -4.495 1.00 13.44 H new ATOM 0 HG21 VAL A 123 -2.035 14.947 -2.153 1.00 31.31 H new ATOM 0 HG22 VAL A 123 -3.129 16.001 -3.081 1.00 31.31 H new ATOM 0 HG23 VAL A 123 -3.482 14.263 -2.930 1.00 31.31 H new ATOM 1812 N ARG A 124 -4.910 13.750 -5.073 1.00 32.12 N ATOM 1813 CA ARG A 124 -5.890 12.670 -5.034 1.00 1.24 C ATOM 1814 C ARG A 124 -6.333 12.307 -6.447 1.00 13.30 C ATOM 1815 O ARG A 124 -6.500 11.133 -6.774 1.00 45.24 O ATOM 1816 CB ARG A 124 -7.104 13.079 -4.199 1.00 2.32 C ATOM 1817 CG ARG A 124 -8.128 11.970 -4.014 1.00 25.15 C ATOM 1818 CD ARG A 124 -9.440 12.513 -3.476 1.00 33.15 C ATOM 1819 NE ARG A 124 -10.051 13.472 -4.406 1.00 11.35 N ATOM 1820 CZ ARG A 124 -11.141 13.220 -5.141 1.00 2.40 C ATOM 1821 NH1 ARG A 124 -11.770 12.057 -5.035 1.00 12.13 N ATOM 1822 NH2 ARG A 124 -11.599 14.139 -5.982 1.00 4.31 N ATOM 0 H ARG A 124 -5.241 14.630 -4.677 1.00 32.12 H new ATOM 0 HA ARG A 124 -5.423 11.799 -4.573 1.00 1.24 H new ATOM 0 HB2 ARG A 124 -6.763 13.412 -3.219 1.00 2.32 H new ATOM 0 HB3 ARG A 124 -7.589 13.932 -4.674 1.00 2.32 H new ATOM 0 HG2 ARG A 124 -8.302 11.471 -4.967 1.00 25.15 H new ATOM 0 HG3 ARG A 124 -7.734 11.220 -3.328 1.00 25.15 H new ATOM 0 HD2 ARG A 124 -10.130 11.688 -3.298 1.00 33.15 H new ATOM 0 HD3 ARG A 124 -9.267 12.997 -2.515 1.00 33.15 H new ATOM 0 HE ARG A 124 -9.616 14.390 -4.498 1.00 11.35 H new ATOM 0 HH11 ARG A 124 -11.424 11.347 -4.390 1.00 12.13 H new ATOM 0 HH12 ARG A 124 -12.600 11.873 -5.599 1.00 12.13 H new ATOM 0 HH21 ARG A 124 -11.121 15.036 -6.068 1.00 4.31 H new ATOM 0 HH22 ARG A 124 -12.429 13.948 -6.543 1.00 4.31 H new ATOM 1836 N ALA A 125 -6.510 13.328 -7.281 1.00 2.40 N ATOM 1837 CA ALA A 125 -6.914 13.126 -8.668 1.00 31.01 C ATOM 1838 C ALA A 125 -5.875 12.296 -9.404 1.00 31.20 C ATOM 1839 O ALA A 125 -6.202 11.320 -10.081 1.00 25.23 O ATOM 1840 CB ALA A 125 -7.112 14.470 -9.362 1.00 32.01 C ATOM 0 H ALA A 125 -6.380 14.305 -7.019 1.00 2.40 H new ATOM 0 HA ALA A 125 -7.861 12.586 -8.681 1.00 31.01 H new ATOM 0 HB1 ALA A 125 -7.413 14.304 -10.396 1.00 32.01 H new ATOM 0 HB2 ALA A 125 -7.887 15.036 -8.845 1.00 32.01 H new ATOM 0 HB3 ALA A 125 -6.178 15.031 -9.342 1.00 32.01 H new ATOM 1846 N ALA A 126 -4.621 12.676 -9.239 1.00 65.13 N ATOM 1847 CA ALA A 126 -3.515 11.971 -9.864 1.00 22.13 C ATOM 1848 C ALA A 126 -3.322 10.599 -9.245 1.00 25.31 C ATOM 1849 O ALA A 126 -2.846 9.679 -9.903 1.00 32.32 O ATOM 1850 CB ALA A 126 -2.245 12.785 -9.735 1.00 2.04 C ATOM 0 H ALA A 126 -4.341 13.476 -8.672 1.00 65.13 H new ATOM 0 HA ALA A 126 -3.749 11.835 -10.920 1.00 22.13 H new ATOM 0 HB1 ALA A 126 -1.420 12.250 -10.206 1.00 2.04 H new ATOM 0 HB2 ALA A 126 -2.379 13.749 -10.226 1.00 2.04 H new ATOM 0 HB3 ALA A 126 -2.020 12.943 -8.680 1.00 2.04 H new ATOM 1856 N LEU A 127 -3.699 10.470 -7.984 1.00 63.13 N ATOM 1857 CA LEU A 127 -3.585 9.212 -7.265 1.00 61.24 C ATOM 1858 C LEU A 127 -4.526 8.182 -7.873 1.00 43.35 C ATOM 1859 O LEU A 127 -4.097 7.106 -8.294 1.00 73.02 O ATOM 1860 CB LEU A 127 -3.899 9.437 -5.761 1.00 53.44 C ATOM 1861 CG LEU A 127 -3.568 8.291 -4.774 1.00 30.41 C ATOM 1862 CD1 LEU A 127 -4.514 7.108 -4.936 1.00 4.45 C ATOM 1863 CD2 LEU A 127 -2.122 7.849 -4.926 1.00 32.43 C ATOM 0 H LEU A 127 -4.092 11.232 -7.431 1.00 63.13 H new ATOM 0 HA LEU A 127 -2.566 8.834 -7.349 1.00 61.24 H new ATOM 0 HB2 LEU A 127 -3.358 10.326 -5.436 1.00 53.44 H new ATOM 0 HB3 LEU A 127 -4.962 9.660 -5.671 1.00 53.44 H new ATOM 0 HG LEU A 127 -3.707 8.682 -3.766 1.00 30.41 H new ATOM 0 HD11 LEU A 127 -4.246 6.327 -4.224 1.00 4.45 H new ATOM 0 HD12 LEU A 127 -5.538 7.433 -4.750 1.00 4.45 H new ATOM 0 HD13 LEU A 127 -4.437 6.716 -5.950 1.00 4.45 H new ATOM 0 HD21 LEU A 127 -1.912 7.043 -4.223 1.00 32.43 H new ATOM 0 HD22 LEU A 127 -1.955 7.496 -5.943 1.00 32.43 H new ATOM 0 HD23 LEU A 127 -1.461 8.691 -4.721 1.00 32.43 H new ATOM 1875 N GLU A 128 -5.808 8.524 -7.936 1.00 73.15 N ATOM 1876 CA GLU A 128 -6.806 7.622 -8.485 1.00 44.25 C ATOM 1877 C GLU A 128 -6.521 7.334 -9.954 1.00 40.24 C ATOM 1878 O GLU A 128 -6.697 6.210 -10.419 1.00 61.40 O ATOM 1879 CB GLU A 128 -8.213 8.198 -8.313 1.00 71.30 C ATOM 1880 CG GLU A 128 -8.580 8.498 -6.866 1.00 63.34 C ATOM 1881 CD GLU A 128 -10.030 8.894 -6.698 1.00 53.24 C ATOM 1882 OE1 GLU A 128 -10.409 9.991 -7.146 1.00 2.13 O ATOM 1883 OE2 GLU A 128 -10.806 8.102 -6.112 1.00 60.12 O ATOM 0 H GLU A 128 -6.177 9.418 -7.614 1.00 73.15 H new ATOM 0 HA GLU A 128 -6.753 6.683 -7.934 1.00 44.25 H new ATOM 0 HB2 GLU A 128 -8.294 9.115 -8.897 1.00 71.30 H new ATOM 0 HB3 GLU A 128 -8.937 7.494 -8.723 1.00 71.30 H new ATOM 0 HG2 GLU A 128 -8.375 7.619 -6.255 1.00 63.34 H new ATOM 0 HG3 GLU A 128 -7.944 9.301 -6.494 1.00 63.34 H new ATOM 1890 N ALA A 129 -6.100 8.362 -10.681 1.00 52.20 N ATOM 1891 CA ALA A 129 -5.734 8.229 -12.091 1.00 51.40 C ATOM 1892 C ALA A 129 -4.531 7.307 -12.293 1.00 23.21 C ATOM 1893 O ALA A 129 -4.402 6.663 -13.334 1.00 0.14 O ATOM 1894 CB ALA A 129 -5.431 9.596 -12.665 1.00 32.31 C ATOM 0 H ALA A 129 -6.002 9.309 -10.314 1.00 52.20 H new ATOM 0 HA ALA A 129 -6.580 7.780 -12.611 1.00 51.40 H new ATOM 0 HB1 ALA A 129 -5.158 9.497 -13.716 1.00 32.31 H new ATOM 0 HB2 ALA A 129 -6.313 10.231 -12.577 1.00 32.31 H new ATOM 0 HB3 ALA A 129 -4.604 10.046 -12.116 1.00 32.31 H new ATOM 1900 N ALA A 130 -3.653 7.256 -11.312 1.00 61.10 N ATOM 1901 CA ALA A 130 -2.452 6.443 -11.413 1.00 55.15 C ATOM 1902 C ALA A 130 -2.738 4.952 -11.200 1.00 43.04 C ATOM 1903 O ALA A 130 -1.939 4.096 -11.595 1.00 62.14 O ATOM 1904 CB ALA A 130 -1.394 6.936 -10.443 1.00 33.13 C ATOM 0 H ALA A 130 -3.746 7.767 -10.434 1.00 61.10 H new ATOM 0 HA ALA A 130 -2.074 6.549 -12.430 1.00 55.15 H new ATOM 0 HB1 ALA A 130 -0.502 6.316 -10.532 1.00 33.13 H new ATOM 0 HB2 ALA A 130 -1.142 7.971 -10.675 1.00 33.13 H new ATOM 0 HB3 ALA A 130 -1.778 6.876 -9.425 1.00 33.13 H new ATOM 1910 N LEU A 131 -3.883 4.646 -10.596 1.00 35.12 N ATOM 1911 CA LEU A 131 -4.253 3.257 -10.311 1.00 54.24 C ATOM 1912 C LEU A 131 -4.415 2.412 -11.600 1.00 74.02 C ATOM 1913 O LEU A 131 -3.817 1.339 -11.704 1.00 32.21 O ATOM 1914 CB LEU A 131 -5.517 3.179 -9.433 1.00 41.24 C ATOM 1915 CG LEU A 131 -5.414 3.841 -8.055 1.00 13.31 C ATOM 1916 CD1 LEU A 131 -6.743 3.756 -7.324 1.00 60.42 C ATOM 1917 CD2 LEU A 131 -4.312 3.193 -7.227 1.00 64.35 C ATOM 0 H LEU A 131 -4.571 5.336 -10.294 1.00 35.12 H new ATOM 0 HA LEU A 131 -3.426 2.824 -9.749 1.00 54.24 H new ATOM 0 HB2 LEU A 131 -6.342 3.640 -9.976 1.00 41.24 H new ATOM 0 HB3 LEU A 131 -5.775 2.129 -9.292 1.00 41.24 H new ATOM 0 HG LEU A 131 -5.163 4.892 -8.199 1.00 13.31 H new ATOM 0 HD11 LEU A 131 -6.652 4.231 -6.347 1.00 60.42 H new ATOM 0 HD12 LEU A 131 -7.511 4.266 -7.905 1.00 60.42 H new ATOM 0 HD13 LEU A 131 -7.021 2.710 -7.194 1.00 60.42 H new ATOM 0 HD21 LEU A 131 -4.256 3.678 -6.253 1.00 64.35 H new ATOM 0 HD22 LEU A 131 -4.533 2.134 -7.093 1.00 64.35 H new ATOM 0 HD23 LEU A 131 -3.358 3.303 -7.742 1.00 64.35 H new ATOM 1929 N PRO A 132 -5.215 2.880 -12.614 1.00 44.42 N ATOM 1930 CA PRO A 132 -5.400 2.140 -13.875 1.00 0.54 C ATOM 1931 C PRO A 132 -4.079 1.913 -14.608 1.00 44.40 C ATOM 1932 O PRO A 132 -3.920 0.936 -15.343 1.00 75.20 O ATOM 1933 CB PRO A 132 -6.307 3.056 -14.707 1.00 24.33 C ATOM 1934 CG PRO A 132 -6.990 3.917 -13.711 1.00 10.23 C ATOM 1935 CD PRO A 132 -6.005 4.128 -12.608 1.00 73.25 C ATOM 0 HA PRO A 132 -5.817 1.148 -13.701 1.00 0.54 H new ATOM 0 HB2 PRO A 132 -5.728 3.651 -15.413 1.00 24.33 H new ATOM 0 HB3 PRO A 132 -7.025 2.479 -15.290 1.00 24.33 H new ATOM 0 HG2 PRO A 132 -7.288 4.867 -14.155 1.00 10.23 H new ATOM 0 HG3 PRO A 132 -7.897 3.440 -13.339 1.00 10.23 H new ATOM 0 HD2 PRO A 132 -5.379 5.001 -12.790 1.00 73.25 H new ATOM 0 HD3 PRO A 132 -6.501 4.285 -11.650 1.00 73.25 H new ATOM 1943 N MET A 133 -3.133 2.809 -14.390 1.00 12.50 N ATOM 1944 CA MET A 133 -1.835 2.712 -15.031 1.00 34.14 C ATOM 1945 C MET A 133 -1.003 1.621 -14.364 1.00 54.40 C ATOM 1946 O MET A 133 -0.333 0.837 -15.024 1.00 35.13 O ATOM 1947 CB MET A 133 -1.096 4.044 -14.952 1.00 45.13 C ATOM 1948 CG MET A 133 0.232 4.049 -15.693 1.00 30.31 C ATOM 1949 SD MET A 133 1.266 5.460 -15.259 1.00 1.42 S ATOM 1950 CE MET A 133 1.528 5.144 -13.519 1.00 60.23 C ATOM 0 H MET A 133 -3.240 3.614 -13.772 1.00 12.50 H new ATOM 0 HA MET A 133 -1.987 2.458 -16.080 1.00 34.14 H new ATOM 0 HB2 MET A 133 -1.733 4.828 -15.361 1.00 45.13 H new ATOM 0 HB3 MET A 133 -0.919 4.290 -13.905 1.00 45.13 H new ATOM 0 HG2 MET A 133 0.770 3.128 -15.471 1.00 30.31 H new ATOM 0 HG3 MET A 133 0.044 4.058 -16.767 1.00 30.31 H new ATOM 0 HE1 MET A 133 2.497 5.543 -13.218 1.00 60.23 H new ATOM 0 HE2 MET A 133 0.741 5.626 -12.939 1.00 60.23 H new ATOM 0 HE3 MET A 133 1.506 4.070 -13.337 1.00 60.23 H new ATOM 1960 N LEU A 134 -1.075 1.574 -13.045 1.00 50.13 N ATOM 1961 CA LEU A 134 -0.306 0.620 -12.266 1.00 3.44 C ATOM 1962 C LEU A 134 -0.903 -0.782 -12.347 1.00 14.10 C ATOM 1963 O LEU A 134 -0.172 -1.774 -12.396 1.00 21.22 O ATOM 1964 CB LEU A 134 -0.227 1.078 -10.809 1.00 44.43 C ATOM 1965 CG LEU A 134 0.481 0.128 -9.844 1.00 11.42 C ATOM 1966 CD1 LEU A 134 1.928 -0.093 -10.259 1.00 62.11 C ATOM 1967 CD2 LEU A 134 0.407 0.667 -8.431 1.00 14.13 C ATOM 0 H LEU A 134 -1.664 2.192 -12.487 1.00 50.13 H new ATOM 0 HA LEU A 134 0.699 0.576 -12.686 1.00 3.44 H new ATOM 0 HB2 LEU A 134 0.283 2.041 -10.779 1.00 44.43 H new ATOM 0 HB3 LEU A 134 -1.241 1.243 -10.446 1.00 44.43 H new ATOM 0 HG LEU A 134 -0.027 -0.836 -9.877 1.00 11.42 H new ATOM 0 HD11 LEU A 134 2.409 -0.773 -9.555 1.00 62.11 H new ATOM 0 HD12 LEU A 134 1.958 -0.525 -11.259 1.00 62.11 H new ATOM 0 HD13 LEU A 134 2.456 0.861 -10.260 1.00 62.11 H new ATOM 0 HD21 LEU A 134 0.915 -0.019 -7.753 1.00 14.13 H new ATOM 0 HD22 LEU A 134 0.890 1.643 -8.388 1.00 14.13 H new ATOM 0 HD23 LEU A 134 -0.637 0.765 -8.133 1.00 14.13 H new ATOM 1979 N ARG A 135 -2.228 -0.862 -12.362 1.00 63.54 N ATOM 1980 CA ARG A 135 -2.910 -2.153 -12.405 1.00 11.22 C ATOM 1981 C ARG A 135 -2.498 -2.984 -13.624 1.00 24.31 C ATOM 1982 O ARG A 135 -2.479 -4.209 -13.563 1.00 43.24 O ATOM 1983 CB ARG A 135 -4.448 -1.987 -12.312 1.00 51.43 C ATOM 1984 CG ARG A 135 -5.124 -1.366 -13.531 1.00 41.31 C ATOM 1985 CD ARG A 135 -5.524 -2.420 -14.556 1.00 4.22 C ATOM 1986 NE ARG A 135 -6.455 -3.404 -13.995 1.00 4.23 N ATOM 1987 CZ ARG A 135 -6.896 -4.486 -14.646 1.00 43.21 C ATOM 1988 NH1 ARG A 135 -6.519 -4.711 -15.897 1.00 71.23 N ATOM 1989 NH2 ARG A 135 -7.724 -5.334 -14.047 1.00 3.21 N ATOM 0 H ARG A 135 -2.850 -0.054 -12.345 1.00 63.54 H new ATOM 0 HA ARG A 135 -2.590 -2.712 -11.525 1.00 11.22 H new ATOM 0 HB2 ARG A 135 -4.890 -2.967 -12.135 1.00 51.43 H new ATOM 0 HB3 ARG A 135 -4.676 -1.372 -11.441 1.00 51.43 H new ATOM 0 HG2 ARG A 135 -6.009 -0.814 -13.214 1.00 41.31 H new ATOM 0 HG3 ARG A 135 -4.448 -0.647 -13.994 1.00 41.31 H new ATOM 0 HD2 ARG A 135 -5.985 -1.934 -15.416 1.00 4.22 H new ATOM 0 HD3 ARG A 135 -4.632 -2.930 -14.919 1.00 4.22 H new ATOM 0 HE ARG A 135 -6.789 -3.253 -13.043 1.00 4.23 H new ATOM 0 HH11 ARG A 135 -5.891 -4.058 -16.366 1.00 71.23 H new ATOM 0 HH12 ARG A 135 -6.857 -5.537 -16.391 1.00 71.23 H new ATOM 0 HH21 ARG A 135 -8.025 -5.161 -13.088 1.00 3.21 H new ATOM 0 HH22 ARG A 135 -8.059 -6.158 -14.546 1.00 3.21 H new ATOM 2003 N THR A 136 -2.150 -2.323 -14.723 1.00 42.23 N ATOM 2004 CA THR A 136 -1.736 -3.044 -15.911 1.00 53.42 C ATOM 2005 C THR A 136 -0.297 -3.564 -15.749 1.00 32.41 C ATOM 2006 O THR A 136 0.056 -4.621 -16.275 1.00 22.15 O ATOM 2007 CB THR A 136 -1.879 -2.180 -17.204 1.00 12.40 C ATOM 2008 OG1 THR A 136 -1.847 -3.021 -18.364 1.00 73.35 O ATOM 2009 CG2 THR A 136 -0.773 -1.139 -17.316 1.00 72.34 C ATOM 0 H THR A 136 -2.147 -1.307 -14.812 1.00 42.23 H new ATOM 0 HA THR A 136 -2.404 -3.897 -16.027 1.00 53.42 H new ATOM 0 HB THR A 136 -2.835 -1.660 -17.141 1.00 12.40 H new ATOM 0 HG1 THR A 136 -1.939 -2.471 -19.170 1.00 73.35 H new ATOM 0 HG21 THR A 136 -0.910 -0.560 -18.229 1.00 72.34 H new ATOM 0 HG22 THR A 136 -0.812 -0.473 -16.454 1.00 72.34 H new ATOM 0 HG23 THR A 136 0.195 -1.639 -17.345 1.00 72.34 H new ATOM 2017 N GLN A 137 0.520 -2.821 -14.990 1.00 22.01 N ATOM 2018 CA GLN A 137 1.903 -3.210 -14.719 1.00 52.10 C ATOM 2019 C GLN A 137 1.941 -4.427 -13.801 1.00 34.23 C ATOM 2020 O GLN A 137 2.668 -5.381 -14.047 1.00 12.12 O ATOM 2021 CB GLN A 137 2.660 -2.051 -14.057 1.00 31.23 C ATOM 2022 CG GLN A 137 2.683 -0.764 -14.871 1.00 32.32 C ATOM 2023 CD GLN A 137 3.496 -0.884 -16.141 1.00 75.25 C ATOM 2024 OE1 GLN A 137 2.978 -1.249 -17.196 1.00 71.31 O ATOM 2025 NE2 GLN A 137 4.768 -0.567 -16.054 1.00 10.45 N ATOM 0 H GLN A 137 0.241 -1.943 -14.552 1.00 22.01 H new ATOM 0 HA GLN A 137 2.381 -3.459 -15.666 1.00 52.10 H new ATOM 0 HB2 GLN A 137 2.207 -1.845 -13.087 1.00 31.23 H new ATOM 0 HB3 GLN A 137 3.687 -2.365 -13.869 1.00 31.23 H new ATOM 0 HG2 GLN A 137 1.661 -0.483 -15.125 1.00 32.32 H new ATOM 0 HG3 GLN A 137 3.092 0.040 -14.259 1.00 32.32 H new ATOM 0 HE21 GLN A 137 5.159 -0.269 -15.160 1.00 10.45 H new ATOM 0 HE22 GLN A 137 5.364 -0.619 -16.880 1.00 10.45 H new ATOM 2034 N LEU A 138 1.133 -4.390 -12.745 1.00 72.13 N ATOM 2035 CA LEU A 138 1.074 -5.490 -11.786 1.00 54.43 C ATOM 2036 C LEU A 138 0.463 -6.729 -12.425 1.00 22.45 C ATOM 2037 O LEU A 138 0.735 -7.860 -12.014 1.00 34.24 O ATOM 2038 CB LEU A 138 0.279 -5.084 -10.542 1.00 64.22 C ATOM 2039 CG LEU A 138 0.886 -3.958 -9.700 1.00 13.31 C ATOM 2040 CD1 LEU A 138 0.000 -3.651 -8.505 1.00 41.00 C ATOM 2041 CD2 LEU A 138 2.290 -4.327 -9.238 1.00 43.44 C ATOM 0 H LEU A 138 0.510 -3.611 -12.531 1.00 72.13 H new ATOM 0 HA LEU A 138 2.093 -5.727 -11.480 1.00 54.43 H new ATOM 0 HB2 LEU A 138 -0.719 -4.779 -10.856 1.00 64.22 H new ATOM 0 HB3 LEU A 138 0.160 -5.962 -9.908 1.00 64.22 H new ATOM 0 HG LEU A 138 0.953 -3.065 -10.322 1.00 13.31 H new ATOM 0 HD11 LEU A 138 0.446 -2.849 -7.918 1.00 41.00 H new ATOM 0 HD12 LEU A 138 -0.985 -3.341 -8.853 1.00 41.00 H new ATOM 0 HD13 LEU A 138 -0.098 -4.543 -7.886 1.00 41.00 H new ATOM 0 HD21 LEU A 138 2.702 -3.513 -8.642 1.00 43.44 H new ATOM 0 HD22 LEU A 138 2.248 -5.234 -8.635 1.00 43.44 H new ATOM 0 HD23 LEU A 138 2.926 -4.498 -10.107 1.00 43.44 H new ATOM 2053 N ALA A 139 -0.354 -6.508 -13.446 1.00 33.24 N ATOM 2054 CA ALA A 139 -0.984 -7.597 -14.177 1.00 2.30 C ATOM 2055 C ALA A 139 0.069 -8.465 -14.859 1.00 74.44 C ATOM 2056 O ALA A 139 -0.134 -9.661 -15.063 1.00 11.43 O ATOM 2057 CB ALA A 139 -1.964 -7.053 -15.201 1.00 41.04 C ATOM 0 H ALA A 139 -0.597 -5.578 -13.788 1.00 33.24 H new ATOM 0 HA ALA A 139 -1.533 -8.215 -13.466 1.00 2.30 H new ATOM 0 HB1 ALA A 139 -2.426 -7.881 -15.738 1.00 41.04 H new ATOM 0 HB2 ALA A 139 -2.736 -6.474 -14.694 1.00 41.04 H new ATOM 0 HB3 ALA A 139 -1.435 -6.413 -15.907 1.00 41.04 H new ATOM 2063 N GLU A 140 1.201 -7.851 -15.191 1.00 32.04 N ATOM 2064 CA GLU A 140 2.301 -8.552 -15.848 1.00 43.24 C ATOM 2065 C GLU A 140 2.971 -9.541 -14.889 1.00 54.44 C ATOM 2066 O GLU A 140 3.649 -10.470 -15.315 1.00 34.54 O ATOM 2067 CB GLU A 140 3.335 -7.554 -16.371 1.00 5.44 C ATOM 2068 CG GLU A 140 2.734 -6.385 -17.138 1.00 44.30 C ATOM 2069 CD GLU A 140 3.786 -5.537 -17.826 1.00 53.14 C ATOM 2070 OE1 GLU A 140 4.869 -5.328 -17.239 1.00 14.23 O ATOM 2071 OE2 GLU A 140 3.534 -5.067 -18.960 1.00 64.35 O ATOM 0 H GLU A 140 1.382 -6.863 -15.015 1.00 32.04 H new ATOM 0 HA GLU A 140 1.888 -9.110 -16.689 1.00 43.24 H new ATOM 0 HB2 GLU A 140 3.909 -7.166 -15.529 1.00 5.44 H new ATOM 0 HB3 GLU A 140 4.036 -8.079 -17.020 1.00 5.44 H new ATOM 0 HG2 GLU A 140 2.035 -6.765 -17.883 1.00 44.30 H new ATOM 0 HG3 GLU A 140 2.161 -5.761 -16.452 1.00 44.30 H new ATOM 2078 N SER A 141 2.774 -9.333 -13.597 1.00 25.01 N ATOM 2079 CA SER A 141 3.341 -10.210 -12.585 1.00 24.40 C ATOM 2080 C SER A 141 2.289 -11.200 -12.086 1.00 33.21 C ATOM 2081 O SER A 141 2.553 -12.020 -11.195 1.00 52.03 O ATOM 2082 CB SER A 141 3.870 -9.380 -11.419 1.00 2.10 C ATOM 2083 OG SER A 141 4.759 -8.371 -11.873 1.00 71.04 O ATOM 0 H SER A 141 2.223 -8.560 -13.223 1.00 25.01 H new ATOM 0 HA SER A 141 4.163 -10.771 -13.029 1.00 24.40 H new ATOM 0 HB2 SER A 141 3.036 -8.922 -10.887 1.00 2.10 H new ATOM 0 HB3 SER A 141 4.383 -10.029 -10.710 1.00 2.10 H new ATOM 0 HG SER A 141 5.083 -7.852 -11.108 1.00 71.04 H new ATOM 2089 N GLY A 142 1.100 -11.118 -12.662 1.00 3.42 N ATOM 2090 CA GLY A 142 0.020 -11.985 -12.256 1.00 62.22 C ATOM 2091 C GLY A 142 -0.661 -11.470 -11.011 1.00 12.04 C ATOM 2092 O GLY A 142 -0.949 -12.232 -10.087 1.00 62.04 O ATOM 0 H GLY A 142 0.865 -10.462 -13.407 1.00 3.42 H new ATOM 0 HA2 GLY A 142 -0.707 -12.065 -13.064 1.00 62.22 H new ATOM 0 HA3 GLY A 142 0.406 -12.988 -12.073 1.00 62.22 H new ATOM 2096 N ILE A 143 -0.908 -10.174 -10.982 1.00 35.25 N ATOM 2097 CA ILE A 143 -1.549 -9.534 -9.849 1.00 55.12 C ATOM 2098 C ILE A 143 -2.718 -8.686 -10.331 1.00 70.14 C ATOM 2099 O ILE A 143 -2.566 -7.847 -11.223 1.00 2.34 O ATOM 2100 CB ILE A 143 -0.552 -8.638 -9.064 1.00 75.31 C ATOM 2101 CG1 ILE A 143 0.632 -9.470 -8.551 1.00 33.22 C ATOM 2102 CG2 ILE A 143 -1.257 -7.936 -7.905 1.00 14.14 C ATOM 2103 CD1 ILE A 143 1.699 -8.654 -7.850 1.00 30.25 C ATOM 0 H ILE A 143 -0.670 -9.536 -11.742 1.00 35.25 H new ATOM 0 HA ILE A 143 -1.906 -10.317 -9.180 1.00 55.12 H new ATOM 0 HB ILE A 143 -0.168 -7.876 -9.743 1.00 75.31 H new ATOM 0 HG12 ILE A 143 0.259 -10.229 -7.863 1.00 33.22 H new ATOM 0 HG13 ILE A 143 1.085 -9.996 -9.391 1.00 33.22 H new ATOM 0 HG21 ILE A 143 -0.542 -7.313 -7.368 1.00 14.14 H new ATOM 0 HG22 ILE A 143 -2.062 -7.312 -8.293 1.00 14.14 H new ATOM 0 HG23 ILE A 143 -1.671 -8.681 -7.226 1.00 14.14 H new ATOM 0 HD11 ILE A 143 2.501 -9.313 -7.517 1.00 30.25 H new ATOM 0 HD12 ILE A 143 2.102 -7.912 -8.540 1.00 30.25 H new ATOM 0 HD13 ILE A 143 1.263 -8.149 -6.988 1.00 30.25 H new ATOM 2115 N GLN A 144 -3.877 -8.913 -9.754 1.00 42.01 N ATOM 2116 CA GLN A 144 -5.071 -8.191 -10.132 1.00 44.44 C ATOM 2117 C GLN A 144 -5.298 -7.001 -9.216 1.00 2.14 C ATOM 2118 O GLN A 144 -5.820 -7.141 -8.115 1.00 11.35 O ATOM 2119 CB GLN A 144 -6.281 -9.118 -10.083 1.00 35.12 C ATOM 2120 CG GLN A 144 -6.194 -10.294 -11.033 1.00 35.13 C ATOM 2121 CD GLN A 144 -7.214 -11.363 -10.715 1.00 64.22 C ATOM 2122 OE1 GLN A 144 -8.342 -11.335 -11.208 1.00 51.44 O ATOM 2123 NE2 GLN A 144 -6.823 -12.316 -9.898 1.00 23.21 N ATOM 0 H GLN A 144 -4.018 -9.600 -9.013 1.00 42.01 H new ATOM 0 HA GLN A 144 -4.938 -7.824 -11.150 1.00 44.44 H new ATOM 0 HB2 GLN A 144 -6.398 -9.493 -9.066 1.00 35.12 H new ATOM 0 HB3 GLN A 144 -7.177 -8.542 -10.315 1.00 35.12 H new ATOM 0 HG2 GLN A 144 -6.343 -9.945 -12.055 1.00 35.13 H new ATOM 0 HG3 GLN A 144 -5.193 -10.724 -10.986 1.00 35.13 H new ATOM 0 HE21 GLN A 144 -5.879 -12.301 -9.512 1.00 23.21 H new ATOM 0 HE22 GLN A 144 -7.464 -13.070 -9.650 1.00 23.21 H new ATOM 2132 N LEU A 145 -4.864 -5.841 -9.651 1.00 74.14 N ATOM 2133 CA LEU A 145 -5.091 -4.628 -8.900 1.00 1.32 C ATOM 2134 C LEU A 145 -6.414 -4.008 -9.303 1.00 14.05 C ATOM 2135 O LEU A 145 -6.612 -3.634 -10.459 1.00 2.34 O ATOM 2136 CB LEU A 145 -3.953 -3.627 -9.106 1.00 63.30 C ATOM 2137 CG LEU A 145 -4.122 -2.280 -8.387 1.00 72.23 C ATOM 2138 CD1 LEU A 145 -4.176 -2.478 -6.883 1.00 22.55 C ATOM 2139 CD2 LEU A 145 -3.003 -1.321 -8.762 1.00 53.35 C ATOM 0 H LEU A 145 -4.351 -5.711 -10.523 1.00 74.14 H new ATOM 0 HA LEU A 145 -5.123 -4.885 -7.841 1.00 1.32 H new ATOM 0 HB2 LEU A 145 -3.023 -4.085 -8.769 1.00 63.30 H new ATOM 0 HB3 LEU A 145 -3.847 -3.439 -10.174 1.00 63.30 H new ATOM 0 HG LEU A 145 -5.066 -1.841 -8.709 1.00 72.23 H new ATOM 0 HD11 LEU A 145 -4.296 -1.512 -6.393 1.00 22.55 H new ATOM 0 HD12 LEU A 145 -5.020 -3.120 -6.631 1.00 22.55 H new ATOM 0 HD13 LEU A 145 -3.251 -2.944 -6.544 1.00 22.55 H new ATOM 0 HD21 LEU A 145 -3.145 -0.375 -8.240 1.00 53.35 H new ATOM 0 HD22 LEU A 145 -2.043 -1.752 -8.477 1.00 53.35 H new ATOM 0 HD23 LEU A 145 -3.018 -1.148 -9.838 1.00 53.35 H new ATOM 2151 N GLY A 146 -7.316 -3.927 -8.360 1.00 70.31 N ATOM 2152 CA GLY A 146 -8.613 -3.347 -8.614 1.00 31.31 C ATOM 2153 C GLY A 146 -9.234 -2.860 -7.342 1.00 71.33 C ATOM 2154 O GLY A 146 -9.785 -1.755 -7.282 1.00 23.54 O ATOM 0 H GLY A 146 -7.177 -4.256 -7.405 1.00 70.31 H new ATOM 0 HA2 GLY A 146 -8.515 -2.520 -9.317 1.00 31.31 H new ATOM 0 HA3 GLY A 146 -9.263 -4.087 -9.081 1.00 31.31 H new ATOM 2158 N GLN A 147 -9.136 -3.684 -6.315 1.00 33.31 N ATOM 2159 CA GLN A 147 -9.642 -3.346 -5.007 1.00 33.30 C ATOM 2160 C GLN A 147 -8.846 -2.187 -4.435 1.00 22.45 C ATOM 2161 O GLN A 147 -7.638 -2.288 -4.226 1.00 30.22 O ATOM 2162 CB GLN A 147 -9.564 -4.556 -4.056 1.00 35.44 C ATOM 2163 CG GLN A 147 -10.484 -5.724 -4.415 1.00 13.12 C ATOM 2164 CD GLN A 147 -10.115 -6.406 -5.723 1.00 32.14 C ATOM 2165 OE1 GLN A 147 -8.948 -6.436 -6.122 1.00 24.05 O ATOM 2166 NE2 GLN A 147 -11.104 -6.950 -6.398 1.00 43.03 N ATOM 0 H GLN A 147 -8.702 -4.606 -6.369 1.00 33.31 H new ATOM 0 HA GLN A 147 -10.688 -3.057 -5.106 1.00 33.30 H new ATOM 0 HB2 GLN A 147 -8.536 -4.917 -4.036 1.00 35.44 H new ATOM 0 HB3 GLN A 147 -9.804 -4.221 -3.047 1.00 35.44 H new ATOM 0 HG2 GLN A 147 -10.456 -6.459 -3.611 1.00 13.12 H new ATOM 0 HG3 GLN A 147 -11.510 -5.362 -4.480 1.00 13.12 H new ATOM 0 HE21 GLN A 147 -12.056 -6.904 -6.034 1.00 43.03 H new ATOM 0 HE22 GLN A 147 -10.919 -7.418 -7.285 1.00 43.03 H new ATOM 2175 N SER A 148 -9.504 -1.085 -4.219 1.00 54.11 N ATOM 2176 CA SER A 148 -8.853 0.074 -3.677 1.00 50.12 C ATOM 2177 C SER A 148 -9.755 0.763 -2.676 1.00 51.52 C ATOM 2178 O SER A 148 -10.881 1.153 -2.997 1.00 64.05 O ATOM 2179 CB SER A 148 -8.462 1.036 -4.802 1.00 60.22 C ATOM 2180 OG SER A 148 -7.662 0.375 -5.775 1.00 3.40 O ATOM 0 H SER A 148 -10.498 -0.964 -4.411 1.00 54.11 H new ATOM 0 HA SER A 148 -7.946 -0.242 -3.162 1.00 50.12 H new ATOM 0 HB2 SER A 148 -9.360 1.436 -5.273 1.00 60.22 H new ATOM 0 HB3 SER A 148 -7.915 1.883 -4.389 1.00 60.22 H new ATOM 0 HG SER A 148 -7.926 0.670 -6.671 1.00 3.40 H new ATOM 2186 N SER A 149 -9.277 0.881 -1.465 1.00 31.32 N ATOM 2187 CA SER A 149 -10.007 1.549 -0.432 1.00 63.01 C ATOM 2188 C SER A 149 -9.477 2.960 -0.295 1.00 33.42 C ATOM 2189 O SER A 149 -8.382 3.169 0.212 1.00 13.44 O ATOM 2190 CB SER A 149 -9.863 0.789 0.884 1.00 13.13 C ATOM 2191 OG SER A 149 -10.080 -0.601 0.687 1.00 33.42 O ATOM 0 H SER A 149 -8.371 0.515 -1.172 1.00 31.32 H new ATOM 0 HA SER A 149 -11.066 1.585 -0.688 1.00 63.01 H new ATOM 0 HB2 SER A 149 -8.867 0.952 1.297 1.00 13.13 H new ATOM 0 HB3 SER A 149 -10.577 1.174 1.612 1.00 13.13 H new ATOM 0 HG SER A 149 -10.688 -0.938 1.378 1.00 33.42 H new ATOM 2197 N ILE A 150 -10.238 3.914 -0.761 1.00 64.10 N ATOM 2198 CA ILE A 150 -9.822 5.293 -0.715 1.00 3.40 C ATOM 2199 C ILE A 150 -10.760 6.081 0.174 1.00 14.43 C ATOM 2200 O ILE A 150 -11.969 6.130 -0.068 1.00 53.03 O ATOM 2201 CB ILE A 150 -9.786 5.924 -2.128 1.00 12.12 C ATOM 2202 CG1 ILE A 150 -8.871 5.104 -3.049 1.00 42.12 C ATOM 2203 CG2 ILE A 150 -9.312 7.375 -2.054 1.00 52.42 C ATOM 2204 CD1 ILE A 150 -8.820 5.610 -4.474 1.00 33.32 C ATOM 0 H ILE A 150 -11.155 3.761 -1.180 1.00 64.10 H new ATOM 0 HA ILE A 150 -8.812 5.326 -0.307 1.00 3.40 H new ATOM 0 HB ILE A 150 -10.795 5.915 -2.541 1.00 12.12 H new ATOM 0 HG12 ILE A 150 -7.862 5.106 -2.637 1.00 42.12 H new ATOM 0 HG13 ILE A 150 -9.211 4.068 -3.054 1.00 42.12 H new ATOM 0 HG21 ILE A 150 -9.293 7.803 -3.056 1.00 52.42 H new ATOM 0 HG22 ILE A 150 -9.994 7.949 -1.427 1.00 52.42 H new ATOM 0 HG23 ILE A 150 -8.310 7.409 -1.626 1.00 52.42 H new ATOM 0 HD11 ILE A 150 -8.153 4.978 -5.061 1.00 33.32 H new ATOM 0 HD12 ILE A 150 -9.820 5.582 -4.906 1.00 33.32 H new ATOM 0 HD13 ILE A 150 -8.450 6.635 -4.483 1.00 33.32 H new ATOM 2216 N SER A 151 -10.217 6.670 1.209 1.00 50.25 N ATOM 2217 CA SER A 151 -11.008 7.439 2.135 1.00 41.44 C ATOM 2218 C SER A 151 -10.319 8.750 2.463 1.00 71.12 C ATOM 2219 O SER A 151 -9.110 8.792 2.627 1.00 42.43 O ATOM 2220 CB SER A 151 -11.255 6.631 3.408 1.00 15.23 C ATOM 2221 OG SER A 151 -11.892 5.397 3.105 1.00 31.33 O ATOM 0 H SER A 151 -9.223 6.631 1.432 1.00 50.25 H new ATOM 0 HA SER A 151 -11.968 7.665 1.671 1.00 41.44 H new ATOM 0 HB2 SER A 151 -10.308 6.442 3.914 1.00 15.23 H new ATOM 0 HB3 SER A 151 -11.875 7.207 4.095 1.00 15.23 H new ATOM 0 HG SER A 151 -12.040 4.893 3.933 1.00 31.33 H new ATOM 2227 N SER A 152 -11.087 9.818 2.531 1.00 63.24 N ATOM 2228 CA SER A 152 -10.543 11.122 2.868 1.00 53.44 C ATOM 2229 C SER A 152 -10.426 11.267 4.381 1.00 62.10 C ATOM 2230 O SER A 152 -9.612 12.036 4.888 1.00 71.50 O ATOM 2231 CB SER A 152 -11.444 12.211 2.304 1.00 73.12 C ATOM 2232 OG SER A 152 -11.698 11.980 0.930 1.00 22.21 O ATOM 0 H SER A 152 -12.092 9.811 2.357 1.00 63.24 H new ATOM 0 HA SER A 152 -9.549 11.219 2.432 1.00 53.44 H new ATOM 0 HB2 SER A 152 -12.384 12.235 2.855 1.00 73.12 H new ATOM 0 HB3 SER A 152 -10.973 13.185 2.434 1.00 73.12 H new ATOM 0 HG SER A 152 -11.717 12.836 0.453 1.00 22.21 H new ATOM 2238 N GLU A 153 -11.244 10.503 5.086 1.00 64.03 N ATOM 2239 CA GLU A 153 -11.269 10.507 6.537 1.00 12.12 C ATOM 2240 C GLU A 153 -11.925 9.226 7.041 1.00 63.10 C ATOM 2241 O GLU A 153 -11.446 8.594 7.977 1.00 3.10 O ATOM 2242 CB GLU A 153 -12.009 11.753 7.060 1.00 61.42 C ATOM 2243 CG GLU A 153 -13.363 11.987 6.410 1.00 32.50 C ATOM 2244 CD GLU A 153 -13.999 13.286 6.842 1.00 3.22 C ATOM 2245 OE1 GLU A 153 -13.761 14.314 6.183 1.00 63.12 O ATOM 2246 OE2 GLU A 153 -14.753 13.281 7.831 1.00 21.22 O ATOM 0 H GLU A 153 -11.913 9.859 4.664 1.00 64.03 H new ATOM 0 HA GLU A 153 -10.247 10.546 6.914 1.00 12.12 H new ATOM 0 HB2 GLU A 153 -12.147 11.656 8.137 1.00 61.42 H new ATOM 0 HB3 GLU A 153 -11.383 12.630 6.897 1.00 61.42 H new ATOM 0 HG2 GLU A 153 -13.246 11.987 5.326 1.00 32.50 H new ATOM 0 HG3 GLU A 153 -14.029 11.161 6.659 1.00 32.50 H new ATOM 2253 N SER A 154 -13.012 8.847 6.393 1.00 73.42 N ATOM 2254 CA SER A 154 -13.721 7.628 6.713 1.00 34.11 C ATOM 2255 C SER A 154 -14.505 7.168 5.491 1.00 3.45 C ATOM 2256 O SER A 154 -14.661 7.930 4.530 1.00 5.23 O ATOM 2257 CB SER A 154 -14.658 7.855 7.907 1.00 34.50 C ATOM 2258 OG SER A 154 -15.506 8.979 7.691 1.00 62.31 O ATOM 0 H SER A 154 -13.426 9.380 5.628 1.00 73.42 H new ATOM 0 HA SER A 154 -13.006 6.853 6.989 1.00 34.11 H new ATOM 0 HB2 SER A 154 -15.265 6.965 8.071 1.00 34.50 H new ATOM 0 HB3 SER A 154 -14.069 8.009 8.811 1.00 34.50 H new ATOM 0 HG SER A 154 -16.093 9.099 8.466 1.00 62.31 H new ATOM 2264 N PHE A 155 -14.978 5.938 5.511 1.00 52.32 N ATOM 2265 CA PHE A 155 -15.753 5.407 4.403 1.00 51.03 C ATOM 2266 C PHE A 155 -17.208 5.838 4.510 1.00 52.01 C ATOM 2267 O PHE A 155 -17.899 5.501 5.478 1.00 74.32 O ATOM 2268 CB PHE A 155 -15.653 3.877 4.352 1.00 24.40 C ATOM 2269 CG PHE A 155 -16.515 3.251 3.288 1.00 55.41 C ATOM 2270 CD1 PHE A 155 -16.169 3.348 1.949 1.00 42.22 C ATOM 2271 CD2 PHE A 155 -17.678 2.577 3.628 1.00 1.11 C ATOM 2272 CE1 PHE A 155 -16.966 2.783 0.972 1.00 4.53 C ATOM 2273 CE2 PHE A 155 -18.479 2.013 2.656 1.00 24.41 C ATOM 2274 CZ PHE A 155 -18.122 2.116 1.327 1.00 23.23 C ATOM 0 H PHE A 155 -14.840 5.285 6.283 1.00 52.32 H new ATOM 0 HA PHE A 155 -15.339 5.810 3.478 1.00 51.03 H new ATOM 0 HB2 PHE A 155 -14.614 3.595 4.179 1.00 24.40 H new ATOM 0 HB3 PHE A 155 -15.936 3.470 5.323 1.00 24.40 H new ATOM 0 HD1 PHE A 155 -15.267 3.871 1.667 1.00 42.22 H new ATOM 0 HD2 PHE A 155 -17.961 2.492 4.667 1.00 1.11 H new ATOM 0 HE1 PHE A 155 -16.685 2.863 -0.068 1.00 4.53 H new ATOM 0 HE2 PHE A 155 -19.383 1.492 2.935 1.00 24.41 H new ATOM 0 HZ PHE A 155 -18.747 1.675 0.564 1.00 23.23 H new ATOM 2284 N ALA A 156 -17.665 6.585 3.526 1.00 51.40 N ATOM 2285 CA ALA A 156 -19.035 7.048 3.498 1.00 4.14 C ATOM 2286 C ALA A 156 -19.957 5.967 2.955 1.00 3.13 C ATOM 2287 O ALA A 156 -19.907 5.628 1.774 1.00 21.24 O ATOM 2288 CB ALA A 156 -19.153 8.317 2.668 1.00 2.31 C ATOM 0 H ALA A 156 -17.102 6.886 2.730 1.00 51.40 H new ATOM 0 HA ALA A 156 -19.340 7.275 4.520 1.00 4.14 H new ATOM 0 HB1 ALA A 156 -20.191 8.650 2.658 1.00 2.31 H new ATOM 0 HB2 ALA A 156 -18.526 9.095 3.102 1.00 2.31 H new ATOM 0 HB3 ALA A 156 -18.827 8.116 1.647 1.00 2.31 H new ATOM 2294 N GLY A 157 -20.781 5.422 3.822 1.00 73.51 N ATOM 2295 CA GLY A 157 -21.712 4.395 3.419 1.00 24.12 C ATOM 2296 C GLY A 157 -23.116 4.729 3.850 1.00 21.40 C ATOM 2297 O GLY A 157 -23.752 3.964 4.571 1.00 72.52 O ATOM 0 H GLY A 157 -20.825 5.673 4.810 1.00 73.51 H new ATOM 0 HA2 GLY A 157 -21.680 4.277 2.336 1.00 24.12 H new ATOM 0 HA3 GLY A 157 -21.414 3.440 3.852 1.00 24.12 H new ATOM 2301 N GLN A 158 -23.593 5.883 3.422 1.00 73.44 N ATOM 2302 CA GLN A 158 -24.925 6.339 3.778 1.00 52.31 C ATOM 2303 C GLN A 158 -25.986 5.640 2.938 1.00 33.12 C ATOM 2304 O GLN A 158 -25.722 5.209 1.814 1.00 4.43 O ATOM 2305 CB GLN A 158 -25.037 7.860 3.610 1.00 2.24 C ATOM 2306 CG GLN A 158 -24.791 8.349 2.190 1.00 21.21 C ATOM 2307 CD GLN A 158 -24.963 9.847 2.047 1.00 75.03 C ATOM 2308 OE1 GLN A 158 -24.719 10.606 2.983 1.00 12.44 O ATOM 2309 NE2 GLN A 158 -25.385 10.280 0.880 1.00 12.20 N ATOM 0 H GLN A 158 -23.074 6.526 2.823 1.00 73.44 H new ATOM 0 HA GLN A 158 -25.096 6.087 4.825 1.00 52.31 H new ATOM 0 HB2 GLN A 158 -26.031 8.177 3.925 1.00 2.24 H new ATOM 0 HB3 GLN A 158 -24.323 8.342 4.277 1.00 2.24 H new ATOM 0 HG2 GLN A 158 -23.781 8.073 1.885 1.00 21.21 H new ATOM 0 HG3 GLN A 158 -25.478 7.843 1.512 1.00 21.21 H new ATOM 0 HE21 GLN A 158 -25.576 9.617 0.129 1.00 12.20 H new ATOM 0 HE22 GLN A 158 -25.521 11.279 0.726 1.00 12.20 H new ATOM 2318 N GLN A 159 -27.180 5.540 3.486 1.00 23.51 N ATOM 2319 CA GLN A 159 -28.301 4.925 2.802 1.00 52.22 C ATOM 2320 C GLN A 159 -29.601 5.415 3.417 1.00 44.10 C ATOM 2321 O GLN A 159 -30.141 4.808 4.342 1.00 11.32 O ATOM 2322 CB GLN A 159 -28.217 3.395 2.868 1.00 42.11 C ATOM 2323 CG GLN A 159 -29.261 2.688 2.020 1.00 31.33 C ATOM 2324 CD GLN A 159 -29.122 1.183 2.056 1.00 11.41 C ATOM 2325 OE1 GLN A 159 -29.726 0.511 2.889 1.00 74.21 O ATOM 2326 NE2 GLN A 159 -28.332 0.643 1.155 1.00 0.33 N ATOM 0 H GLN A 159 -27.402 5.884 4.420 1.00 23.51 H new ATOM 0 HA GLN A 159 -28.269 5.212 1.751 1.00 52.22 H new ATOM 0 HB2 GLN A 159 -27.225 3.080 2.544 1.00 42.11 H new ATOM 0 HB3 GLN A 159 -28.329 3.078 3.905 1.00 42.11 H new ATOM 0 HG2 GLN A 159 -30.255 2.965 2.370 1.00 31.33 H new ATOM 0 HG3 GLN A 159 -29.179 3.032 0.989 1.00 31.33 H new ATOM 0 HE21 GLN A 159 -27.848 1.235 0.480 1.00 0.33 H new ATOM 0 HE22 GLN A 159 -28.203 -0.369 1.130 1.00 0.33 H new ATOM 2335 N GLN A 160 -30.068 6.539 2.924 1.00 52.25 N ATOM 2336 CA GLN A 160 -31.275 7.159 3.427 1.00 3.01 C ATOM 2337 C GLN A 160 -32.501 6.682 2.664 1.00 24.11 C ATOM 2338 O GLN A 160 -32.422 6.354 1.479 1.00 21.44 O ATOM 2339 CB GLN A 160 -31.172 8.697 3.364 1.00 53.24 C ATOM 2340 CG GLN A 160 -30.912 9.275 1.968 1.00 74.31 C ATOM 2341 CD GLN A 160 -29.475 9.098 1.501 1.00 44.40 C ATOM 2342 OE1 GLN A 160 -29.131 8.094 0.874 1.00 2.43 O ATOM 2343 NE2 GLN A 160 -28.634 10.063 1.805 1.00 2.02 N ATOM 0 H GLN A 160 -29.622 7.051 2.162 1.00 52.25 H new ATOM 0 HA GLN A 160 -31.386 6.861 4.469 1.00 3.01 H new ATOM 0 HB2 GLN A 160 -32.098 9.124 3.750 1.00 53.24 H new ATOM 0 HB3 GLN A 160 -30.371 9.019 4.029 1.00 53.24 H new ATOM 0 HG2 GLN A 160 -31.581 8.795 1.253 1.00 74.31 H new ATOM 0 HG3 GLN A 160 -31.158 10.337 1.971 1.00 74.31 H new ATOM 0 HE21 GLN A 160 -28.959 10.878 2.325 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -27.657 9.996 1.520 1.00 2.02 H new ATOM 2352 N SER A 161 -33.621 6.635 3.346 1.00 75.15 N ATOM 2353 CA SER A 161 -34.872 6.242 2.738 1.00 71.23 C ATOM 2354 C SER A 161 -35.935 7.301 3.011 1.00 21.14 C ATOM 2355 O SER A 161 -36.061 7.787 4.141 1.00 74.34 O ATOM 2356 CB SER A 161 -35.308 4.869 3.265 1.00 31.31 C ATOM 2357 OG SER A 161 -35.202 4.804 4.683 1.00 34.24 O ATOM 0 H SER A 161 -33.692 6.868 4.337 1.00 75.15 H new ATOM 0 HA SER A 161 -34.740 6.161 1.659 1.00 71.23 H new ATOM 0 HB2 SER A 161 -36.337 4.672 2.965 1.00 31.31 H new ATOM 0 HB3 SER A 161 -34.691 4.091 2.816 1.00 31.31 H new ATOM 0 HG SER A 161 -35.488 3.919 4.992 1.00 34.24 H new ATOM 2363 N SER A 162 -36.685 7.668 1.981 1.00 43.32 N ATOM 2364 CA SER A 162 -37.707 8.692 2.106 1.00 11.34 C ATOM 2365 C SER A 162 -38.603 8.733 0.874 1.00 42.02 C ATOM 2366 O SER A 162 -38.129 8.540 -0.255 1.00 1.13 O ATOM 2367 CB SER A 162 -37.046 10.059 2.320 1.00 0.14 C ATOM 2368 OG SER A 162 -35.981 10.256 1.394 1.00 32.31 O ATOM 0 H SER A 162 -36.602 7.268 1.046 1.00 43.32 H new ATOM 0 HA SER A 162 -38.330 8.449 2.967 1.00 11.34 H new ATOM 0 HB2 SER A 162 -37.788 10.849 2.202 1.00 0.14 H new ATOM 0 HB3 SER A 162 -36.666 10.129 3.339 1.00 0.14 H new ATOM 0 HG SER A 162 -35.574 11.134 1.546 1.00 32.31 H new ATOM 2374 N SER A 163 -39.901 8.961 1.108 1.00 73.33 N ATOM 2375 CA SER A 163 -40.903 9.082 0.051 1.00 24.42 C ATOM 2376 C SER A 163 -41.181 7.731 -0.631 1.00 3.43 C ATOM 2377 O SER A 163 -40.345 6.823 -0.616 1.00 13.05 O ATOM 2378 CB SER A 163 -40.480 10.149 -0.978 1.00 64.30 C ATOM 2379 OG SER A 163 -41.486 10.367 -1.955 1.00 24.54 O ATOM 0 H SER A 163 -40.285 9.067 2.047 1.00 73.33 H new ATOM 0 HA SER A 163 -41.836 9.403 0.515 1.00 24.42 H new ATOM 0 HB2 SER A 163 -40.264 11.085 -0.463 1.00 64.30 H new ATOM 0 HB3 SER A 163 -39.559 9.836 -1.469 1.00 64.30 H new ATOM 0 HG SER A 163 -41.184 11.050 -2.589 1.00 24.54 H new ATOM 2385 N GLN A 164 -42.359 7.609 -1.215 1.00 12.42 N ATOM 2386 CA GLN A 164 -42.754 6.390 -1.900 1.00 54.03 C ATOM 2387 C GLN A 164 -42.081 6.299 -3.267 1.00 44.25 C ATOM 2388 O GLN A 164 -42.013 7.288 -4.003 1.00 51.34 O ATOM 2389 CB GLN A 164 -44.281 6.336 -2.051 1.00 1.43 C ATOM 2390 CG GLN A 164 -44.881 7.551 -2.751 1.00 63.53 C ATOM 2391 CD GLN A 164 -46.388 7.466 -2.882 1.00 12.32 C ATOM 2392 OE1 GLN A 164 -46.953 6.380 -2.983 1.00 64.52 O ATOM 2393 NE2 GLN A 164 -47.047 8.606 -2.876 1.00 62.34 N ATOM 0 H GLN A 164 -43.065 8.345 -1.229 1.00 12.42 H new ATOM 0 HA GLN A 164 -42.431 5.538 -1.302 1.00 54.03 H new ATOM 0 HB2 GLN A 164 -44.549 5.439 -2.610 1.00 1.43 H new ATOM 0 HB3 GLN A 164 -44.730 6.241 -1.062 1.00 1.43 H new ATOM 0 HG2 GLN A 164 -44.619 8.451 -2.195 1.00 63.53 H new ATOM 0 HG3 GLN A 164 -44.439 7.649 -3.743 1.00 63.53 H new ATOM 0 HE21 GLN A 164 -46.541 9.487 -2.790 1.00 62.34 H new ATOM 0 HE22 GLN A 164 -48.064 8.608 -2.957 1.00 62.34 H new ATOM 2402 N GLN A 165 -41.567 5.123 -3.600 1.00 51.30 N ATOM 2403 CA GLN A 165 -40.899 4.929 -4.880 1.00 75.20 C ATOM 2404 C GLN A 165 -41.911 4.750 -6.004 1.00 61.02 C ATOM 2405 O GLN A 165 -41.583 4.914 -7.178 1.00 52.22 O ATOM 2406 CB GLN A 165 -39.915 3.751 -4.835 1.00 23.35 C ATOM 2407 CG GLN A 165 -40.544 2.406 -4.528 1.00 74.44 C ATOM 2408 CD GLN A 165 -39.530 1.281 -4.552 1.00 15.43 C ATOM 2409 OE1 GLN A 165 -39.290 0.667 -5.589 1.00 10.25 O ATOM 2410 NE2 GLN A 165 -38.923 1.008 -3.417 1.00 21.24 N ATOM 0 H GLN A 165 -41.599 4.294 -3.007 1.00 51.30 H new ATOM 0 HA GLN A 165 -40.321 5.830 -5.084 1.00 75.20 H new ATOM 0 HB2 GLN A 165 -39.404 3.686 -5.796 1.00 23.35 H new ATOM 0 HB3 GLN A 165 -39.154 3.960 -4.083 1.00 23.35 H new ATOM 0 HG2 GLN A 165 -41.019 2.444 -3.547 1.00 74.44 H new ATOM 0 HG3 GLN A 165 -41.330 2.200 -5.255 1.00 74.44 H new ATOM 0 HE21 GLN A 165 -39.149 1.540 -2.577 1.00 21.24 H new ATOM 0 HE22 GLN A 165 -38.226 0.264 -3.377 1.00 21.24 H new ATOM 2419 N GLN A 166 -43.142 4.409 -5.645 1.00 44.15 N ATOM 2420 CA GLN A 166 -44.190 4.259 -6.634 1.00 25.12 C ATOM 2421 C GLN A 166 -44.740 5.631 -7.009 1.00 12.43 C ATOM 2422 O GLN A 166 -44.964 6.482 -6.138 1.00 3.11 O ATOM 2423 CB GLN A 166 -45.319 3.341 -6.131 1.00 35.14 C ATOM 2424 CG GLN A 166 -46.120 3.899 -4.966 1.00 44.23 C ATOM 2425 CD GLN A 166 -47.332 3.052 -4.641 1.00 64.24 C ATOM 2426 OE1 GLN A 166 -48.409 3.250 -5.208 1.00 34.33 O ATOM 2427 NE2 GLN A 166 -47.178 2.120 -3.722 1.00 0.24 N ATOM 0 H GLN A 166 -43.433 4.233 -4.683 1.00 44.15 H new ATOM 0 HA GLN A 166 -43.761 3.788 -7.518 1.00 25.12 H new ATOM 0 HB2 GLN A 166 -45.999 3.138 -6.958 1.00 35.14 H new ATOM 0 HB3 GLN A 166 -44.886 2.386 -5.833 1.00 35.14 H new ATOM 0 HG2 GLN A 166 -45.479 3.965 -4.086 1.00 44.23 H new ATOM 0 HG3 GLN A 166 -46.442 4.913 -5.202 1.00 44.23 H new ATOM 0 HE21 GLN A 166 -46.270 1.988 -3.277 1.00 0.24 H new ATOM 0 HE22 GLN A 166 -47.967 1.531 -3.456 1.00 0.24 H new ATOM 2436 N SER A 167 -44.952 5.852 -8.292 1.00 43.34 N ATOM 2437 CA SER A 167 -45.439 7.137 -8.784 1.00 74.44 C ATOM 2438 C SER A 167 -46.049 6.980 -10.174 1.00 0.23 C ATOM 2439 O SER A 167 -46.224 7.955 -10.899 1.00 22.23 O ATOM 2440 CB SER A 167 -44.283 8.156 -8.846 1.00 71.20 C ATOM 2441 OG SER A 167 -43.636 8.292 -7.583 1.00 74.52 O ATOM 0 H SER A 167 -44.795 5.156 -9.021 1.00 43.34 H new ATOM 0 HA SER A 167 -46.204 7.498 -8.097 1.00 74.44 H new ATOM 0 HB2 SER A 167 -43.557 7.839 -9.595 1.00 71.20 H new ATOM 0 HB3 SER A 167 -44.668 9.125 -9.165 1.00 71.20 H new ATOM 0 HG SER A 167 -44.233 7.974 -6.874 1.00 74.52 H new ATOM 2447 N SER A 168 -46.376 5.750 -10.532 1.00 64.32 N ATOM 2448 CA SER A 168 -46.965 5.466 -11.823 1.00 13.44 C ATOM 2449 C SER A 168 -47.582 4.078 -11.831 1.00 35.33 C ATOM 2450 O SER A 168 -47.249 3.237 -10.987 1.00 34.45 O ATOM 2451 CB SER A 168 -45.907 5.580 -12.926 1.00 74.32 C ATOM 2452 OG SER A 168 -44.805 4.722 -12.667 1.00 62.31 O ATOM 0 H SER A 168 -46.241 4.930 -9.941 1.00 64.32 H new ATOM 0 HA SER A 168 -47.751 6.197 -12.013 1.00 13.44 H new ATOM 0 HB2 SER A 168 -46.351 5.326 -13.888 1.00 74.32 H new ATOM 0 HB3 SER A 168 -45.561 6.611 -12.997 1.00 74.32 H new ATOM 0 HG SER A 168 -44.145 4.812 -13.386 1.00 62.31 H new ATOM 2458 N ARG A 169 -48.479 3.843 -12.765 1.00 11.12 N ATOM 2459 CA ARG A 169 -49.108 2.548 -12.906 1.00 14.11 C ATOM 2460 C ARG A 169 -48.227 1.638 -13.743 1.00 45.22 C ATOM 2461 O ARG A 169 -48.281 1.737 -14.981 1.00 0.00 O ATOM 2462 CB ARG A 169 -50.488 2.685 -13.552 1.00 50.32 C ATOM 2463 CG ARG A 169 -51.498 3.441 -12.705 1.00 71.32 C ATOM 2464 CD ARG A 169 -52.827 3.588 -13.430 1.00 12.32 C ATOM 2465 NE ARG A 169 -53.405 2.290 -13.794 1.00 70.25 N ATOM 2466 CZ ARG A 169 -54.636 2.124 -14.282 1.00 51.22 C ATOM 2467 NH1 ARG A 169 -55.433 3.169 -14.469 1.00 15.42 N ATOM 2468 NH2 ARG A 169 -55.067 0.909 -14.586 1.00 1.45 N ATOM 2469 OXT ARG A 169 -47.462 0.847 -13.161 1.00 0.00 O ATOM 0 H ARG A 169 -48.791 4.539 -13.443 1.00 11.12 H new ATOM 0 HA ARG A 169 -49.236 2.112 -11.915 1.00 14.11 H new ATOM 0 HB2 ARG A 169 -50.380 3.194 -14.510 1.00 50.32 H new ATOM 0 HB3 ARG A 169 -50.879 1.690 -13.762 1.00 50.32 H new ATOM 0 HG2 ARG A 169 -51.652 2.915 -11.763 1.00 71.32 H new ATOM 0 HG3 ARG A 169 -51.104 4.427 -12.459 1.00 71.32 H new ATOM 0 HD2 ARG A 169 -53.527 4.131 -12.795 1.00 12.32 H new ATOM 0 HD3 ARG A 169 -52.684 4.186 -14.330 1.00 12.32 H new ATOM 0 HE ARG A 169 -52.828 1.459 -13.666 1.00 70.25 H new ATOM 0 HH11 ARG A 169 -55.106 4.107 -14.239 1.00 15.42 H new ATOM 0 HH12 ARG A 169 -56.372 3.034 -14.842 1.00 15.42 H new ATOM 0 HH21 ARG A 169 -54.458 0.102 -14.447 1.00 1.45 H new ATOM 0 HH22 ARG A 169 -56.008 0.780 -14.959 1.00 1.45 H new TER 2483 ARG A 169