USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1171 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 81 GLN :FLIP amide:sc= 0.477 F(o=0.44,f=1) USER MOD Set 1.2: A 122 TYR OH : rot 130:sc= 0.388 USER MOD Set 1.3: A 127 SER OG : rot 161:sc= 0.176 USER MOD Set 2.1: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 115 THR OG1 : rot 113:sc= 2.25 USER MOD Set 2.3: A 139 CYS SG : rot 68:sc= 1.12 USER MOD Set 3.1: A 93 CYS SG : rot 180:sc= 0.559 USER MOD Set 3.2: A 97 GLN :FLIP amide:sc= 0.359 F(o=-1.9!,f=0.92) USER MOD Set 4.1: A 76 ASN :FLIP amide:sc= 0.923 F(o=1.1,f=2) USER MOD Set 4.2: A 78 THR OG1 : rot 118:sc= 1.08 USER MOD Set 5.1: A 67 THR OG1 : rot 30:sc= -0.105 USER MOD Set 5.2: A 146 THR OG1 : rot 85:sc= 0.016 USER MOD Set 6.1: A 42 ASN : amide:sc= -3.67! C(o=-2.6!,f=-3.1!) USER MOD Set 6.2: A 120 TYR OH : rot -136:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0357 (180deg=-0.247) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.223 K(o=0.22,f=-0.63) USER MOD Single : A 23 MET CE :methyl 162:sc= -0.12 (180deg=-0.62) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 0.634 (180deg=-1.42!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= -0.572 (180deg=-0.616) USER MOD Single : A 49 THR OG1 : rot 46:sc= 0.139 USER MOD Single : A 57 SER OG : rot -112:sc= 0.144 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00642 USER MOD Single : A 62 LYS NZ :NH3+ -121:sc= 0.726 (180deg=-4.29!) USER MOD Single : A 64 GLN :FLIP amide:sc= -2.01 F(o=-6.6!,f=-2) USER MOD Single : A 69 HIS : no HE2:sc= -8.74! C(o=-8.7!,f=-8.9!) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.34! C(o=-8.4!,f=-2.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 73 SER OG : rot 110:sc= -1.1! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -77:sc= -0.246 USER MOD Single : A 106 MET CE :methyl 167:sc= -1.08 (180deg=-1.18) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 118 SER OG : rot 175:sc= -0.151 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc= -0.407 (180deg=-0.898!) USER MOD Single : A 121 CYS SG : rot 122:sc= -1.19 USER MOD Single : A 125 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc=-0.000703 USER MOD Single : A 135 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.42) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 145 LYS NZ :NH3+ -153:sc= 2.09 (180deg=0.174) USER MOD Single : A 152 HIS : no HD1:sc= 0.668 K(o=0.67,f=-4.7!) USER MOD Single : A 153 HIS : no HD1:sc= -0.869 K(o=-0.87,f=-1.7) USER MOD Single : A 154 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=-0.0037) USER MOD Single : A 155 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.029) USER MOD Single : A 156 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 157 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -50.449 11.387 15.541 1.00 49.39 N ATOM 2 CA MET A 1 -50.051 10.580 14.365 1.00 49.13 C ATOM 3 C MET A 1 -48.547 10.353 14.375 1.00 48.56 C ATOM 4 O MET A 1 -47.779 11.248 14.731 1.00 48.67 O ATOM 5 CB MET A 1 -50.452 11.285 13.067 1.00 49.37 C ATOM 6 CG MET A 1 -51.922 11.662 13.005 1.00 49.76 C ATOM 7 SD MET A 1 -53.018 10.237 13.110 1.00 50.09 S ATOM 8 CE MET A 1 -54.615 11.051 13.076 1.00 50.23 C ATOM 0 H1 MET A 1 -51.483 11.354 15.651 1.00 49.39 H new ATOM 0 H2 MET A 1 -49.997 11.002 16.395 1.00 49.39 H new ATOM 0 H3 MET A 1 -50.147 12.373 15.404 1.00 49.39 H new ATOM 0 HA MET A 1 -50.564 9.620 14.418 1.00 49.13 H new ATOM 0 HB2 MET A 1 -49.850 12.186 12.953 1.00 49.37 H new ATOM 0 HB3 MET A 1 -50.217 10.636 12.224 1.00 49.37 H new ATOM 0 HG2 MET A 1 -52.150 12.350 13.819 1.00 49.76 H new ATOM 0 HG3 MET A 1 -52.116 12.195 12.074 1.00 49.76 H new ATOM 0 HE1 MET A 1 -55.406 10.303 13.134 1.00 50.23 H new ATOM 0 HE2 MET A 1 -54.695 11.730 13.925 1.00 50.23 H new ATOM 0 HE3 MET A 1 -54.716 11.615 12.149 1.00 50.23 H new ATOM 20 N GLY A 2 -48.127 9.157 13.994 1.00 47.99 N ATOM 21 CA GLY A 2 -46.717 8.832 14.001 1.00 47.44 C ATOM 22 C GLY A 2 -46.061 9.046 12.653 1.00 46.69 C ATOM 23 O GLY A 2 -45.651 10.157 12.323 1.00 46.54 O ATOM 0 H GLY A 2 -48.739 8.404 13.679 1.00 47.99 H new ATOM 0 HA2 GLY A 2 -46.211 9.444 14.748 1.00 47.44 H new ATOM 0 HA3 GLY A 2 -46.590 7.792 14.301 1.00 47.44 H new ATOM 27 N GLN A 3 -45.972 7.980 11.872 1.00 46.26 N ATOM 28 CA GLN A 3 -45.296 8.028 10.581 1.00 45.58 C ATOM 29 C GLN A 3 -46.306 8.024 9.441 1.00 45.14 C ATOM 30 O GLN A 3 -47.392 7.459 9.574 1.00 45.18 O ATOM 31 CB GLN A 3 -44.355 6.832 10.434 1.00 45.54 C ATOM 32 CG GLN A 3 -43.275 6.772 11.501 1.00 45.20 C ATOM 33 CD GLN A 3 -42.405 5.535 11.390 1.00 45.11 C ATOM 34 OE1 GLN A 3 -42.199 5.053 10.173 1.00 45.20 O flip ATOM 35 NE2 GLN A 3 -41.915 5.021 12.393 1.00 45.01 N flip ATOM 0 H GLN A 3 -46.360 7.067 12.109 1.00 46.26 H new ATOM 0 HA GLN A 3 -44.719 8.951 10.535 1.00 45.58 H new ATOM 0 HB2 GLN A 3 -44.941 5.913 10.470 1.00 45.54 H new ATOM 0 HB3 GLN A 3 -43.882 6.871 9.453 1.00 45.54 H new ATOM 0 HG2 GLN A 3 -42.647 7.660 11.426 1.00 45.20 H new ATOM 0 HG3 GLN A 3 -43.742 6.795 12.486 1.00 45.20 H new ATOM 0 HE21 GLN A 3 -42.098 5.422 13.313 1.00 45.01 H new ATOM 0 HE22 GLN A 3 -41.326 4.193 12.306 1.00 45.01 H new ATOM 44 N PRO A 4 -45.957 8.657 8.306 1.00 44.78 N ATOM 45 CA PRO A 4 -46.800 8.656 7.107 1.00 44.40 C ATOM 46 C PRO A 4 -46.961 7.247 6.536 1.00 43.91 C ATOM 47 O PRO A 4 -45.978 6.517 6.382 1.00 43.73 O ATOM 48 CB PRO A 4 -46.041 9.555 6.118 1.00 44.25 C ATOM 49 CG PRO A 4 -45.064 10.316 6.949 1.00 44.46 C ATOM 50 CD PRO A 4 -44.717 9.424 8.103 1.00 44.80 C ATOM 0 HA PRO A 4 -47.810 9.008 7.316 1.00 44.40 H new ATOM 0 HB2 PRO A 4 -45.533 8.962 5.358 1.00 44.25 H new ATOM 0 HB3 PRO A 4 -46.721 10.228 5.596 1.00 44.25 H new ATOM 0 HG2 PRO A 4 -44.175 10.570 6.371 1.00 44.46 H new ATOM 0 HG3 PRO A 4 -45.496 11.254 7.298 1.00 44.46 H new ATOM 0 HD2 PRO A 4 -43.873 8.774 7.873 1.00 44.80 H new ATOM 0 HD3 PRO A 4 -44.446 9.997 8.990 1.00 44.80 H new ATOM 58 N PRO A 5 -48.206 6.837 6.244 1.00 43.76 N ATOM 59 CA PRO A 5 -48.500 5.500 5.724 1.00 43.36 C ATOM 60 C PRO A 5 -47.976 5.297 4.305 1.00 42.76 C ATOM 61 O PRO A 5 -48.311 6.050 3.392 1.00 42.58 O ATOM 62 CB PRO A 5 -50.038 5.421 5.750 1.00 43.41 C ATOM 63 CG PRO A 5 -50.487 6.593 6.562 1.00 43.89 C ATOM 64 CD PRO A 5 -49.425 7.639 6.403 1.00 44.02 C ATOM 0 HA PRO A 5 -48.016 4.724 6.318 1.00 43.36 H new ATOM 0 HB2 PRO A 5 -50.450 5.462 4.742 1.00 43.41 H new ATOM 0 HB3 PRO A 5 -50.375 4.484 6.194 1.00 43.41 H new ATOM 0 HG2 PRO A 5 -51.452 6.961 6.214 1.00 43.89 H new ATOM 0 HG3 PRO A 5 -50.609 6.318 7.610 1.00 43.89 H new ATOM 0 HD2 PRO A 5 -49.608 8.274 5.536 1.00 44.02 H new ATOM 0 HD3 PRO A 5 -49.368 8.294 7.272 1.00 44.02 H new ATOM 72 N ALA A 6 -47.145 4.277 4.135 1.00 42.50 N ATOM 73 CA ALA A 6 -46.601 3.938 2.826 1.00 41.97 C ATOM 74 C ALA A 6 -46.675 2.434 2.592 1.00 41.42 C ATOM 75 O ALA A 6 -46.019 1.894 1.700 1.00 41.39 O ATOM 76 CB ALA A 6 -45.163 4.432 2.725 1.00 42.03 C ATOM 0 H ALA A 6 -46.832 3.668 4.891 1.00 42.50 H new ATOM 0 HA ALA A 6 -47.195 4.428 2.054 1.00 41.97 H new ATOM 0 HB1 ALA A 6 -44.759 4.177 1.745 1.00 42.03 H new ATOM 0 HB2 ALA A 6 -45.140 5.514 2.857 1.00 42.03 H new ATOM 0 HB3 ALA A 6 -44.560 3.959 3.500 1.00 42.03 H new ATOM 82 N GLU A 7 -47.493 1.763 3.389 1.00 41.05 N ATOM 83 CA GLU A 7 -47.602 0.318 3.324 1.00 40.56 C ATOM 84 C GLU A 7 -48.955 -0.090 2.748 1.00 40.16 C ATOM 85 O GLU A 7 -50.003 0.247 3.300 1.00 40.13 O ATOM 86 CB GLU A 7 -47.400 -0.274 4.720 1.00 40.61 C ATOM 87 CG GLU A 7 -47.240 -1.783 4.733 1.00 40.78 C ATOM 88 CD GLU A 7 -46.636 -2.281 6.029 1.00 41.03 C ATOM 89 OE1 GLU A 7 -45.413 -2.093 6.224 1.00 40.82 O ATOM 90 OE2 GLU A 7 -47.368 -2.858 6.857 1.00 41.50 O ATOM 0 H GLU A 7 -48.092 2.200 4.090 1.00 41.05 H new ATOM 0 HA GLU A 7 -46.828 -0.072 2.663 1.00 40.56 H new ATOM 0 HB2 GLU A 7 -46.517 0.179 5.171 1.00 40.61 H new ATOM 0 HB3 GLU A 7 -48.251 -0.004 5.345 1.00 40.61 H new ATOM 0 HG2 GLU A 7 -48.213 -2.251 4.583 1.00 40.78 H new ATOM 0 HG3 GLU A 7 -46.608 -2.087 3.899 1.00 40.78 H new ATOM 97 N GLU A 8 -48.920 -0.800 1.628 1.00 39.89 N ATOM 98 CA GLU A 8 -50.136 -1.222 0.943 1.00 39.55 C ATOM 99 C GLU A 8 -50.241 -2.745 0.979 1.00 39.08 C ATOM 100 O GLU A 8 -49.228 -3.430 1.144 1.00 38.77 O ATOM 101 CB GLU A 8 -50.116 -0.712 -0.506 1.00 39.61 C ATOM 102 CG GLU A 8 -51.478 -0.288 -1.056 1.00 39.77 C ATOM 103 CD GLU A 8 -52.391 -1.453 -1.390 1.00 40.05 C ATOM 104 OE1 GLU A 8 -52.213 -2.065 -2.462 1.00 40.04 O ATOM 105 OE2 GLU A 8 -53.304 -1.750 -0.586 1.00 40.33 O ATOM 0 H GLU A 8 -48.058 -1.098 1.172 1.00 39.89 H new ATOM 0 HA GLU A 8 -51.007 -0.801 1.446 1.00 39.55 H new ATOM 0 HB2 GLU A 8 -49.435 0.137 -0.568 1.00 39.61 H new ATOM 0 HB3 GLU A 8 -49.709 -1.495 -1.146 1.00 39.61 H new ATOM 0 HG2 GLU A 8 -51.972 0.351 -0.324 1.00 39.77 H new ATOM 0 HG3 GLU A 8 -51.327 0.312 -1.953 1.00 39.77 H new ATOM 112 N ALA A 9 -51.467 -3.249 0.819 1.00 39.09 N ATOM 113 CA ALA A 9 -51.765 -4.684 0.864 1.00 38.75 C ATOM 114 C ALA A 9 -51.597 -5.237 2.276 1.00 38.56 C ATOM 115 O ALA A 9 -51.372 -4.484 3.226 1.00 38.67 O ATOM 116 CB ALA A 9 -50.904 -5.455 -0.132 1.00 38.76 C ATOM 0 H ALA A 9 -52.289 -2.668 0.653 1.00 39.09 H new ATOM 0 HA ALA A 9 -52.808 -4.816 0.576 1.00 38.75 H new ATOM 0 HB1 ALA A 9 -51.146 -6.516 -0.077 1.00 38.76 H new ATOM 0 HB2 ALA A 9 -51.099 -5.090 -1.140 1.00 38.76 H new ATOM 0 HB3 ALA A 9 -49.851 -5.310 0.109 1.00 38.76 H new ATOM 122 N GLU A 10 -51.737 -6.550 2.418 1.00 38.35 N ATOM 123 CA GLU A 10 -51.620 -7.191 3.720 1.00 38.21 C ATOM 124 C GLU A 10 -50.609 -8.334 3.663 1.00 37.73 C ATOM 125 O GLU A 10 -49.468 -8.195 4.104 1.00 37.49 O ATOM 126 CB GLU A 10 -52.983 -7.720 4.177 1.00 38.40 C ATOM 127 CG GLU A 10 -52.980 -8.276 5.589 1.00 38.59 C ATOM 128 CD GLU A 10 -54.212 -9.105 5.884 1.00 38.73 C ATOM 129 OE1 GLU A 10 -55.338 -8.598 5.693 1.00 38.82 O ATOM 130 OE2 GLU A 10 -54.063 -10.274 6.286 1.00 38.81 O ATOM 0 H GLU A 10 -51.931 -7.190 1.648 1.00 38.35 H new ATOM 0 HA GLU A 10 -51.270 -6.450 4.438 1.00 38.21 H new ATOM 0 HB2 GLU A 10 -53.715 -6.915 4.115 1.00 38.40 H new ATOM 0 HB3 GLU A 10 -53.309 -8.500 3.489 1.00 38.40 H new ATOM 0 HG2 GLU A 10 -52.090 -8.888 5.734 1.00 38.59 H new ATOM 0 HG3 GLU A 10 -52.920 -7.453 6.301 1.00 38.59 H new ATOM 137 N GLN A 11 -51.029 -9.460 3.098 1.00 37.65 N ATOM 138 CA GLN A 11 -50.167 -10.628 2.988 1.00 37.26 C ATOM 139 C GLN A 11 -50.162 -11.143 1.554 1.00 36.82 C ATOM 140 O GLN A 11 -51.194 -11.572 1.042 1.00 36.78 O ATOM 141 CB GLN A 11 -50.630 -11.743 3.929 1.00 37.34 C ATOM 142 CG GLN A 11 -50.863 -11.297 5.364 1.00 37.71 C ATOM 143 CD GLN A 11 -51.205 -12.452 6.281 1.00 37.79 C ATOM 144 OE1 GLN A 11 -50.700 -13.565 6.121 1.00 37.58 O ATOM 145 NE2 GLN A 11 -52.090 -12.204 7.233 1.00 38.16 N ATOM 0 H GLN A 11 -51.963 -9.588 2.709 1.00 37.65 H new ATOM 0 HA GLN A 11 -49.158 -10.329 3.272 1.00 37.26 H new ATOM 0 HB2 GLN A 11 -51.554 -12.170 3.540 1.00 37.34 H new ATOM 0 HB3 GLN A 11 -49.885 -12.538 3.925 1.00 37.34 H new ATOM 0 HG2 GLN A 11 -49.969 -10.795 5.735 1.00 37.71 H new ATOM 0 HG3 GLN A 11 -51.672 -10.567 5.387 1.00 37.71 H new ATOM 0 HE21 GLN A 11 -52.484 -11.268 7.332 1.00 38.16 H new ATOM 0 HE22 GLN A 11 -52.378 -12.948 7.868 1.00 38.16 H new ATOM 154 N PRO A 12 -49.005 -11.089 0.881 1.00 36.56 N ATOM 155 CA PRO A 12 -48.838 -11.604 -0.478 1.00 36.18 C ATOM 156 C PRO A 12 -48.571 -13.105 -0.492 1.00 35.97 C ATOM 157 O PRO A 12 -48.119 -13.658 -1.494 1.00 36.19 O ATOM 158 CB PRO A 12 -47.611 -10.841 -1.007 1.00 36.06 C ATOM 159 CG PRO A 12 -47.163 -9.945 0.107 1.00 36.50 C ATOM 160 CD PRO A 12 -47.762 -10.497 1.368 1.00 36.70 C ATOM 0 HA PRO A 12 -49.735 -11.461 -1.080 1.00 36.18 H new ATOM 0 HB2 PRO A 12 -46.818 -11.531 -1.294 1.00 36.06 H new ATOM 0 HB3 PRO A 12 -47.866 -10.261 -1.894 1.00 36.06 H new ATOM 0 HG2 PRO A 12 -46.075 -9.922 0.172 1.00 36.50 H new ATOM 0 HG3 PRO A 12 -47.494 -8.920 -0.063 1.00 36.50 H new ATOM 0 HD2 PRO A 12 -47.114 -11.237 1.837 1.00 36.70 H new ATOM 0 HD3 PRO A 12 -47.944 -9.718 2.108 1.00 36.70 H new ATOM 168 N GLY A 13 -48.846 -13.755 0.628 1.00 35.61 N ATOM 169 CA GLY A 13 -48.634 -15.181 0.728 1.00 35.47 C ATOM 170 C GLY A 13 -47.688 -15.538 1.851 1.00 35.16 C ATOM 171 O GLY A 13 -48.074 -16.215 2.803 1.00 35.17 O ATOM 0 H GLY A 13 -49.214 -13.317 1.472 1.00 35.61 H new ATOM 0 HA2 GLY A 13 -49.590 -15.679 0.888 1.00 35.47 H new ATOM 0 HA3 GLY A 13 -48.234 -15.555 -0.215 1.00 35.47 H new ATOM 175 N ALA A 14 -46.454 -15.071 1.750 1.00 34.97 N ATOM 176 CA ALA A 14 -45.447 -15.359 2.759 1.00 34.74 C ATOM 177 C ALA A 14 -45.328 -14.207 3.749 1.00 34.24 C ATOM 178 O ALA A 14 -45.884 -13.130 3.534 1.00 34.14 O ATOM 179 CB ALA A 14 -44.100 -15.631 2.101 1.00 35.03 C ATOM 0 H ALA A 14 -46.125 -14.490 0.979 1.00 34.97 H new ATOM 0 HA ALA A 14 -45.757 -16.250 3.306 1.00 34.74 H new ATOM 0 HB1 ALA A 14 -43.357 -15.845 2.869 1.00 35.03 H new ATOM 0 HB2 ALA A 14 -44.188 -16.487 1.432 1.00 35.03 H new ATOM 0 HB3 ALA A 14 -43.790 -14.755 1.530 1.00 35.03 H new ATOM 185 N LEU A 15 -44.597 -14.443 4.828 1.00 34.01 N ATOM 186 CA LEU A 15 -44.388 -13.426 5.849 1.00 33.60 C ATOM 187 C LEU A 15 -42.915 -13.337 6.238 1.00 33.26 C ATOM 188 O LEU A 15 -42.352 -12.242 6.293 1.00 33.39 O ATOM 189 CB LEU A 15 -45.239 -13.738 7.080 1.00 33.42 C ATOM 190 CG LEU A 15 -45.067 -12.772 8.252 1.00 33.48 C ATOM 191 CD1 LEU A 15 -45.565 -11.381 7.884 1.00 33.70 C ATOM 192 CD2 LEU A 15 -45.794 -13.289 9.480 1.00 33.25 C ATOM 0 H LEU A 15 -44.137 -15.333 5.020 1.00 34.01 H new ATOM 0 HA LEU A 15 -44.690 -12.462 5.439 1.00 33.60 H new ATOM 0 HB2 LEU A 15 -46.288 -13.743 6.785 1.00 33.42 H new ATOM 0 HB3 LEU A 15 -45.000 -14.745 7.422 1.00 33.42 H new ATOM 0 HG LEU A 15 -44.004 -12.704 8.483 1.00 33.48 H new ATOM 0 HD11 LEU A 15 -45.433 -10.711 8.733 1.00 33.70 H new ATOM 0 HD12 LEU A 15 -44.998 -11.005 7.033 1.00 33.70 H new ATOM 0 HD13 LEU A 15 -46.622 -11.430 7.622 1.00 33.70 H new ATOM 0 HD21 LEU A 15 -45.660 -12.588 10.304 1.00 33.25 H new ATOM 0 HD22 LEU A 15 -46.856 -13.390 9.258 1.00 33.25 H new ATOM 0 HD23 LEU A 15 -45.388 -14.261 9.761 1.00 33.25 H new ATOM 204 N ALA A 16 -42.311 -14.502 6.487 1.00 32.89 N ATOM 205 CA ALA A 16 -40.919 -14.602 6.935 1.00 32.59 C ATOM 206 C ALA A 16 -40.733 -13.984 8.322 1.00 31.98 C ATOM 207 O ALA A 16 -40.578 -12.772 8.465 1.00 31.63 O ATOM 208 CB ALA A 16 -39.966 -13.966 5.925 1.00 32.80 C ATOM 0 H ALA A 16 -42.774 -15.405 6.383 1.00 32.89 H new ATOM 0 HA ALA A 16 -40.675 -15.662 7.007 1.00 32.59 H new ATOM 0 HB1 ALA A 16 -38.941 -14.056 6.285 1.00 32.80 H new ATOM 0 HB2 ALA A 16 -40.059 -14.475 4.966 1.00 32.80 H new ATOM 0 HB3 ALA A 16 -40.216 -12.912 5.802 1.00 32.80 H new ATOM 214 N ARG A 17 -40.748 -14.832 9.342 1.00 31.94 N ATOM 215 CA ARG A 17 -40.612 -14.379 10.722 1.00 31.46 C ATOM 216 C ARG A 17 -39.143 -14.153 11.088 1.00 31.11 C ATOM 217 O ARG A 17 -38.244 -14.378 10.271 1.00 31.11 O ATOM 218 CB ARG A 17 -41.220 -15.405 11.684 1.00 31.72 C ATOM 219 CG ARG A 17 -42.702 -15.653 11.478 1.00 31.75 C ATOM 220 CD ARG A 17 -43.225 -16.676 12.474 1.00 31.70 C ATOM 221 NE ARG A 17 -43.109 -16.205 13.854 1.00 31.67 N ATOM 222 CZ ARG A 17 -43.147 -16.998 14.925 1.00 31.67 C ATOM 223 NH1 ARG A 17 -43.299 -18.310 14.790 1.00 31.70 N ATOM 224 NH2 ARG A 17 -43.035 -16.467 16.136 1.00 31.71 N ATOM 0 H ARG A 17 -40.853 -15.841 9.240 1.00 31.94 H new ATOM 0 HA ARG A 17 -41.146 -13.433 10.812 1.00 31.46 H new ATOM 0 HB2 ARG A 17 -40.687 -16.349 11.574 1.00 31.72 H new ATOM 0 HB3 ARG A 17 -41.059 -15.066 12.707 1.00 31.72 H new ATOM 0 HG2 ARG A 17 -43.250 -14.718 11.590 1.00 31.75 H new ATOM 0 HG3 ARG A 17 -42.878 -16.006 10.462 1.00 31.75 H new ATOM 0 HD2 ARG A 17 -44.269 -16.897 12.253 1.00 31.70 H new ATOM 0 HD3 ARG A 17 -42.671 -17.608 12.361 1.00 31.70 H new ATOM 0 HE ARG A 17 -42.991 -15.203 14.007 1.00 31.67 H new ATOM 0 HH11 ARG A 17 -43.388 -18.720 13.860 1.00 31.70 H new ATOM 0 HH12 ARG A 17 -43.327 -18.908 15.616 1.00 31.70 H new ATOM 0 HH21 ARG A 17 -42.921 -15.459 16.242 1.00 31.71 H new ATOM 0 HH22 ARG A 17 -43.063 -17.067 16.960 1.00 31.71 H new ATOM 238 N GLU A 18 -38.916 -13.721 12.327 1.00 30.90 N ATOM 239 CA GLU A 18 -37.566 -13.530 12.866 1.00 30.62 C ATOM 240 C GLU A 18 -36.902 -14.881 13.163 1.00 30.39 C ATOM 241 O GLU A 18 -36.548 -15.188 14.304 1.00 30.35 O ATOM 242 CB GLU A 18 -37.628 -12.670 14.136 1.00 30.67 C ATOM 243 CG GLU A 18 -38.645 -13.164 15.153 1.00 30.69 C ATOM 244 CD GLU A 18 -38.601 -12.386 16.452 1.00 30.90 C ATOM 245 OE1 GLU A 18 -37.853 -12.790 17.364 1.00 30.81 O ATOM 246 OE2 GLU A 18 -39.332 -11.380 16.574 1.00 31.24 O ATOM 0 H GLU A 18 -39.660 -13.493 12.987 1.00 30.90 H new ATOM 0 HA GLU A 18 -36.962 -13.015 12.119 1.00 30.62 H new ATOM 0 HB2 GLU A 18 -36.642 -12.650 14.600 1.00 30.67 H new ATOM 0 HB3 GLU A 18 -37.871 -11.644 13.859 1.00 30.67 H new ATOM 0 HG2 GLU A 18 -39.645 -13.092 14.725 1.00 30.69 H new ATOM 0 HG3 GLU A 18 -38.463 -14.219 15.360 1.00 30.69 H new ATOM 253 N PHE A 19 -36.740 -15.677 12.119 1.00 30.33 N ATOM 254 CA PHE A 19 -36.233 -17.032 12.246 1.00 30.21 C ATOM 255 C PHE A 19 -34.706 -17.048 12.361 1.00 29.75 C ATOM 256 O PHE A 19 -34.160 -17.470 13.380 1.00 29.69 O ATOM 257 CB PHE A 19 -36.692 -17.863 11.044 1.00 30.57 C ATOM 258 CG PHE A 19 -36.405 -19.333 11.158 1.00 30.68 C ATOM 259 CD1 PHE A 19 -36.894 -20.067 12.226 1.00 31.05 C ATOM 260 CD2 PHE A 19 -35.656 -19.982 10.190 1.00 30.51 C ATOM 261 CE1 PHE A 19 -36.646 -21.422 12.325 1.00 31.24 C ATOM 262 CE2 PHE A 19 -35.403 -21.336 10.284 1.00 30.71 C ATOM 263 CZ PHE A 19 -35.898 -22.057 11.354 1.00 31.07 C ATOM 0 H PHE A 19 -36.956 -15.402 11.161 1.00 30.33 H new ATOM 0 HA PHE A 19 -36.633 -17.468 13.161 1.00 30.21 H new ATOM 0 HB2 PHE A 19 -37.765 -17.724 10.911 1.00 30.57 H new ATOM 0 HB3 PHE A 19 -36.207 -17.479 10.146 1.00 30.57 H new ATOM 0 HD1 PHE A 19 -37.476 -19.574 12.990 1.00 31.05 H new ATOM 0 HD2 PHE A 19 -35.266 -19.423 9.353 1.00 30.51 H new ATOM 0 HE1 PHE A 19 -37.037 -21.984 13.161 1.00 31.24 H new ATOM 0 HE2 PHE A 19 -34.819 -21.831 9.522 1.00 30.71 H new ATOM 0 HZ PHE A 19 -35.700 -23.116 11.430 1.00 31.07 H new ATOM 273 N LEU A 20 -34.021 -16.583 11.324 1.00 29.50 N ATOM 274 CA LEU A 20 -32.562 -16.602 11.314 1.00 29.16 C ATOM 275 C LEU A 20 -31.992 -15.192 11.360 1.00 28.50 C ATOM 276 O LEU A 20 -32.111 -14.430 10.398 1.00 28.35 O ATOM 277 CB LEU A 20 -32.036 -17.336 10.079 1.00 29.33 C ATOM 278 CG LEU A 20 -32.382 -18.825 10.007 1.00 29.60 C ATOM 279 CD1 LEU A 20 -31.865 -19.432 8.711 1.00 29.57 C ATOM 280 CD2 LEU A 20 -31.807 -19.566 11.205 1.00 29.85 C ATOM 0 H LEU A 20 -34.447 -16.191 10.484 1.00 29.50 H new ATOM 0 HA LEU A 20 -32.236 -17.135 12.207 1.00 29.16 H new ATOM 0 HB2 LEU A 20 -32.430 -16.845 9.189 1.00 29.33 H new ATOM 0 HB3 LEU A 20 -30.952 -17.230 10.048 1.00 29.33 H new ATOM 0 HG LEU A 20 -33.467 -18.925 10.027 1.00 29.60 H new ATOM 0 HD11 LEU A 20 -32.121 -20.491 8.678 1.00 29.57 H new ATOM 0 HD12 LEU A 20 -32.322 -18.922 7.863 1.00 29.57 H new ATOM 0 HD13 LEU A 20 -30.782 -19.318 8.663 1.00 29.57 H new ATOM 0 HD21 LEU A 20 -32.063 -20.623 11.136 1.00 29.85 H new ATOM 0 HD22 LEU A 20 -30.723 -19.455 11.215 1.00 29.85 H new ATOM 0 HD23 LEU A 20 -32.222 -19.151 12.123 1.00 29.85 H new ATOM 292 N ALA A 21 -31.378 -14.857 12.483 1.00 28.20 N ATOM 293 CA ALA A 21 -30.776 -13.547 12.672 1.00 27.66 C ATOM 294 C ALA A 21 -29.353 -13.677 13.195 1.00 27.05 C ATOM 295 O ALA A 21 -29.131 -14.167 14.304 1.00 26.92 O ATOM 296 CB ALA A 21 -31.622 -12.705 13.620 1.00 27.59 C ATOM 0 H ALA A 21 -31.283 -15.481 13.284 1.00 28.20 H new ATOM 0 HA ALA A 21 -30.737 -13.045 11.705 1.00 27.66 H new ATOM 0 HB1 ALA A 21 -31.158 -11.728 13.751 1.00 27.59 H new ATOM 0 HB2 ALA A 21 -32.621 -12.579 13.202 1.00 27.59 H new ATOM 0 HB3 ALA A 21 -31.693 -13.205 14.586 1.00 27.59 H new ATOM 302 N ALA A 22 -28.401 -13.267 12.368 1.00 26.78 N ATOM 303 CA ALA A 22 -26.991 -13.251 12.739 1.00 26.29 C ATOM 304 C ALA A 22 -26.290 -12.097 12.032 1.00 25.93 C ATOM 305 O ALA A 22 -25.110 -12.177 11.680 1.00 26.15 O ATOM 306 CB ALA A 22 -26.332 -14.581 12.390 1.00 26.23 C ATOM 0 H ALA A 22 -28.584 -12.936 11.421 1.00 26.78 H new ATOM 0 HA ALA A 22 -26.906 -13.108 13.816 1.00 26.29 H new ATOM 0 HB1 ALA A 22 -25.280 -14.551 12.674 1.00 26.23 H new ATOM 0 HB2 ALA A 22 -26.831 -15.387 12.929 1.00 26.23 H new ATOM 0 HB3 ALA A 22 -26.414 -14.757 11.317 1.00 26.23 H new ATOM 312 N MET A 23 -27.024 -11.010 11.856 1.00 25.45 N ATOM 313 CA MET A 23 -26.541 -9.868 11.096 1.00 25.17 C ATOM 314 C MET A 23 -26.559 -8.618 11.973 1.00 24.29 C ATOM 315 O MET A 23 -26.436 -7.493 11.492 1.00 24.04 O ATOM 316 CB MET A 23 -27.417 -9.687 9.847 1.00 25.82 C ATOM 317 CG MET A 23 -26.872 -8.682 8.845 1.00 26.18 C ATOM 318 SD MET A 23 -27.866 -8.582 7.340 1.00 26.73 S ATOM 319 CE MET A 23 -29.466 -8.136 8.007 1.00 27.47 C ATOM 0 H MET A 23 -27.965 -10.894 12.233 1.00 25.45 H new ATOM 0 HA MET A 23 -25.513 -10.038 10.777 1.00 25.17 H new ATOM 0 HB2 MET A 23 -27.529 -10.652 9.353 1.00 25.82 H new ATOM 0 HB3 MET A 23 -28.413 -9.370 10.158 1.00 25.82 H new ATOM 0 HG2 MET A 23 -26.828 -7.698 9.312 1.00 26.18 H new ATOM 0 HG3 MET A 23 -25.850 -8.956 8.582 1.00 26.18 H new ATOM 0 HE1 MET A 23 -30.092 -7.731 7.212 1.00 27.47 H new ATOM 0 HE2 MET A 23 -29.943 -9.020 8.430 1.00 27.47 H new ATOM 0 HE3 MET A 23 -29.339 -7.385 8.786 1.00 27.47 H new ATOM 329 N GLU A 24 -26.684 -8.844 13.272 1.00 23.92 N ATOM 330 CA GLU A 24 -26.794 -7.775 14.252 1.00 23.15 C ATOM 331 C GLU A 24 -25.514 -6.945 14.290 1.00 22.22 C ATOM 332 O GLU A 24 -24.454 -7.434 14.697 1.00 22.21 O ATOM 333 CB GLU A 24 -27.099 -8.352 15.643 1.00 23.57 C ATOM 334 CG GLU A 24 -28.432 -9.098 15.740 1.00 23.67 C ATOM 335 CD GLU A 24 -28.463 -10.380 14.922 1.00 24.03 C ATOM 336 OE1 GLU A 24 -27.895 -11.390 15.379 1.00 24.02 O ATOM 337 OE2 GLU A 24 -29.042 -10.372 13.811 1.00 24.41 O ATOM 0 H GLU A 24 -26.712 -9.779 13.678 1.00 23.92 H new ATOM 0 HA GLU A 24 -27.617 -7.124 13.957 1.00 23.15 H new ATOM 0 HB2 GLU A 24 -26.295 -9.032 15.925 1.00 23.57 H new ATOM 0 HB3 GLU A 24 -27.098 -7.539 16.369 1.00 23.57 H new ATOM 0 HG2 GLU A 24 -28.632 -9.336 16.785 1.00 23.67 H new ATOM 0 HG3 GLU A 24 -29.234 -8.441 15.404 1.00 23.67 H new ATOM 344 N PRO A 25 -25.599 -5.677 13.860 1.00 21.54 N ATOM 345 CA PRO A 25 -24.453 -4.786 13.769 1.00 20.70 C ATOM 346 C PRO A 25 -24.172 -4.068 15.083 1.00 19.96 C ATOM 347 O PRO A 25 -24.760 -3.025 15.372 1.00 19.79 O ATOM 348 CB PRO A 25 -24.867 -3.776 12.686 1.00 20.35 C ATOM 349 CG PRO A 25 -26.303 -4.072 12.357 1.00 20.99 C ATOM 350 CD PRO A 25 -26.816 -5.005 13.417 1.00 21.63 C ATOM 0 HA PRO A 25 -23.536 -5.328 13.537 1.00 20.70 H new ATOM 0 HB2 PRO A 25 -24.754 -2.753 13.045 1.00 20.35 H new ATOM 0 HB3 PRO A 25 -24.238 -3.875 11.802 1.00 20.35 H new ATOM 0 HG2 PRO A 25 -26.890 -3.154 12.335 1.00 20.99 H new ATOM 0 HG3 PRO A 25 -26.386 -4.527 11.370 1.00 20.99 H new ATOM 0 HD2 PRO A 25 -27.302 -4.467 14.231 1.00 21.63 H new ATOM 0 HD3 PRO A 25 -27.547 -5.709 13.019 1.00 21.63 H new ATOM 358 N GLU A 26 -23.293 -4.643 15.889 1.00 19.63 N ATOM 359 CA GLU A 26 -22.920 -4.027 17.152 1.00 19.01 C ATOM 360 C GLU A 26 -21.578 -3.316 17.018 1.00 17.82 C ATOM 361 O GLU A 26 -20.709 -3.756 16.260 1.00 17.39 O ATOM 362 CB GLU A 26 -22.862 -5.069 18.271 1.00 19.23 C ATOM 363 CG GLU A 26 -24.212 -5.693 18.588 1.00 19.90 C ATOM 364 CD GLU A 26 -24.162 -6.617 19.785 1.00 20.41 C ATOM 365 OE1 GLU A 26 -24.067 -6.118 20.923 1.00 20.67 O ATOM 366 OE2 GLU A 26 -24.228 -7.852 19.595 1.00 20.64 O ATOM 0 H GLU A 26 -22.828 -5.529 15.693 1.00 19.63 H new ATOM 0 HA GLU A 26 -23.682 -3.292 17.411 1.00 19.01 H new ATOM 0 HB2 GLU A 26 -22.164 -5.857 17.988 1.00 19.23 H new ATOM 0 HB3 GLU A 26 -22.466 -4.601 19.172 1.00 19.23 H new ATOM 0 HG2 GLU A 26 -24.938 -4.902 18.775 1.00 19.90 H new ATOM 0 HG3 GLU A 26 -24.563 -6.249 17.719 1.00 19.90 H new ATOM 373 N PRO A 27 -21.401 -2.195 17.738 1.00 17.38 N ATOM 374 CA PRO A 27 -20.169 -1.400 17.689 1.00 16.31 C ATOM 375 C PRO A 27 -18.937 -2.211 18.075 1.00 15.58 C ATOM 376 O PRO A 27 -18.847 -2.744 19.183 1.00 15.74 O ATOM 377 CB PRO A 27 -20.409 -0.277 18.707 1.00 16.33 C ATOM 378 CG PRO A 27 -21.549 -0.743 19.549 1.00 17.43 C ATOM 379 CD PRO A 27 -22.389 -1.613 18.660 1.00 18.02 C ATOM 0 HA PRO A 27 -19.969 -1.037 16.681 1.00 16.31 H new ATOM 0 HB2 PRO A 27 -19.520 -0.099 19.313 1.00 16.33 H new ATOM 0 HB3 PRO A 27 -20.648 0.662 18.207 1.00 16.33 H new ATOM 0 HG2 PRO A 27 -21.192 -1.299 20.416 1.00 17.43 H new ATOM 0 HG3 PRO A 27 -22.126 0.101 19.927 1.00 17.43 H new ATOM 0 HD2 PRO A 27 -22.914 -2.382 19.227 1.00 18.02 H new ATOM 0 HD3 PRO A 27 -23.146 -1.036 18.129 1.00 18.02 H new ATOM 387 N ALA A 28 -17.997 -2.305 17.148 1.00 14.93 N ATOM 388 CA ALA A 28 -16.759 -3.028 17.378 1.00 14.31 C ATOM 389 C ALA A 28 -15.603 -2.055 17.561 1.00 13.28 C ATOM 390 O ALA A 28 -15.576 -0.991 16.937 1.00 12.82 O ATOM 391 CB ALA A 28 -16.469 -3.972 16.222 1.00 14.27 C ATOM 0 H ALA A 28 -18.071 -1.885 16.221 1.00 14.93 H new ATOM 0 HA ALA A 28 -16.870 -3.617 18.289 1.00 14.31 H new ATOM 0 HB1 ALA A 28 -15.537 -4.505 16.412 1.00 14.27 H new ATOM 0 HB2 ALA A 28 -17.284 -4.689 16.125 1.00 14.27 H new ATOM 0 HB3 ALA A 28 -16.377 -3.400 15.299 1.00 14.27 H new ATOM 397 N PRO A 29 -14.651 -2.397 18.438 1.00 13.06 N ATOM 398 CA PRO A 29 -13.465 -1.576 18.677 1.00 12.21 C ATOM 399 C PRO A 29 -12.572 -1.478 17.445 1.00 11.34 C ATOM 400 O PRO A 29 -12.610 -2.350 16.569 1.00 11.36 O ATOM 401 CB PRO A 29 -12.729 -2.314 19.798 1.00 12.51 C ATOM 402 CG PRO A 29 -13.256 -3.705 19.769 1.00 13.50 C ATOM 403 CD PRO A 29 -14.668 -3.605 19.278 1.00 13.81 C ATOM 0 HA PRO A 29 -13.733 -0.550 18.928 1.00 12.21 H new ATOM 0 HB2 PRO A 29 -11.651 -2.299 19.636 1.00 12.51 H new ATOM 0 HB3 PRO A 29 -12.913 -1.844 20.764 1.00 12.51 H new ATOM 0 HG2 PRO A 29 -12.658 -4.334 19.110 1.00 13.50 H new ATOM 0 HG3 PRO A 29 -13.219 -4.156 20.761 1.00 13.50 H new ATOM 0 HD2 PRO A 29 -14.959 -4.487 18.708 1.00 13.81 H new ATOM 0 HD3 PRO A 29 -15.375 -3.511 20.103 1.00 13.81 H new ATOM 411 N ALA A 30 -11.765 -0.425 17.412 1.00 10.76 N ATOM 412 CA ALA A 30 -10.851 -0.147 16.308 1.00 10.06 C ATOM 413 C ALA A 30 -11.593 0.051 14.985 1.00 8.93 C ATOM 414 O ALA A 30 -11.699 -0.871 14.174 1.00 8.35 O ATOM 415 CB ALA A 30 -9.797 -1.240 16.178 1.00 10.54 C ATOM 0 H ALA A 30 -11.725 0.269 18.159 1.00 10.76 H new ATOM 0 HA ALA A 30 -10.346 0.790 16.542 1.00 10.06 H new ATOM 0 HB1 ALA A 30 -9.131 -1.006 15.348 1.00 10.54 H new ATOM 0 HB2 ALA A 30 -9.220 -1.300 17.101 1.00 10.54 H new ATOM 0 HB3 ALA A 30 -10.286 -2.196 15.992 1.00 10.54 H new ATOM 421 N PRO A 31 -12.147 1.256 14.766 1.00 8.82 N ATOM 422 CA PRO A 31 -12.784 1.612 13.498 1.00 7.95 C ATOM 423 C PRO A 31 -11.779 1.684 12.347 1.00 6.75 C ATOM 424 O PRO A 31 -11.094 2.696 12.156 1.00 6.83 O ATOM 425 CB PRO A 31 -13.395 2.991 13.769 1.00 8.63 C ATOM 426 CG PRO A 31 -12.615 3.538 14.916 1.00 9.60 C ATOM 427 CD PRO A 31 -12.219 2.351 15.747 1.00 9.77 C ATOM 0 HA PRO A 31 -13.518 0.867 13.190 1.00 7.95 H new ATOM 0 HB2 PRO A 31 -13.317 3.637 12.894 1.00 8.63 H new ATOM 0 HB3 PRO A 31 -14.454 2.913 14.013 1.00 8.63 H new ATOM 0 HG2 PRO A 31 -11.737 4.081 14.568 1.00 9.60 H new ATOM 0 HG3 PRO A 31 -13.214 4.239 15.497 1.00 9.60 H new ATOM 0 HD2 PRO A 31 -11.262 2.509 16.243 1.00 9.77 H new ATOM 0 HD3 PRO A 31 -12.952 2.144 16.527 1.00 9.77 H new ATOM 435 N ALA A 32 -11.675 0.593 11.604 1.00 5.86 N ATOM 436 CA ALA A 32 -10.786 0.532 10.458 1.00 4.75 C ATOM 437 C ALA A 32 -11.590 0.468 9.168 1.00 3.89 C ATOM 438 O ALA A 32 -12.512 -0.339 9.051 1.00 3.98 O ATOM 439 CB ALA A 32 -9.862 -0.671 10.564 1.00 4.57 C ATOM 0 H ALA A 32 -12.199 -0.265 11.777 1.00 5.86 H new ATOM 0 HA ALA A 32 -10.177 1.436 10.445 1.00 4.75 H new ATOM 0 HB1 ALA A 32 -9.203 -0.701 9.697 1.00 4.57 H new ATOM 0 HB2 ALA A 32 -9.264 -0.592 11.472 1.00 4.57 H new ATOM 0 HB3 ALA A 32 -10.456 -1.584 10.600 1.00 4.57 H new ATOM 445 N PRO A 33 -11.254 1.316 8.184 1.00 3.62 N ATOM 446 CA PRO A 33 -11.954 1.348 6.896 1.00 3.45 C ATOM 447 C PRO A 33 -11.718 0.085 6.073 1.00 2.48 C ATOM 448 O PRO A 33 -12.484 -0.216 5.159 1.00 3.06 O ATOM 449 CB PRO A 33 -11.353 2.564 6.186 1.00 4.15 C ATOM 450 CG PRO A 33 -10.022 2.762 6.826 1.00 4.47 C ATOM 451 CD PRO A 33 -10.174 2.317 8.255 1.00 4.26 C ATOM 0 HA PRO A 33 -13.034 1.406 7.028 1.00 3.45 H new ATOM 0 HB2 PRO A 33 -11.254 2.387 5.115 1.00 4.15 H new ATOM 0 HB3 PRO A 33 -11.984 3.444 6.307 1.00 4.15 H new ATOM 0 HG2 PRO A 33 -9.254 2.180 6.316 1.00 4.47 H new ATOM 0 HG3 PRO A 33 -9.716 3.807 6.774 1.00 4.47 H new ATOM 0 HD2 PRO A 33 -9.251 1.886 8.643 1.00 4.26 H new ATOM 0 HD3 PRO A 33 -10.438 3.148 8.909 1.00 4.26 H new ATOM 459 N GLU A 34 -10.644 -0.636 6.416 1.00 1.57 N ATOM 460 CA GLU A 34 -10.244 -1.875 5.736 1.00 1.27 C ATOM 461 C GLU A 34 -9.696 -1.595 4.334 1.00 1.08 C ATOM 462 O GLU A 34 -8.571 -1.977 4.018 1.00 1.44 O ATOM 463 CB GLU A 34 -11.396 -2.887 5.686 1.00 2.01 C ATOM 464 CG GLU A 34 -11.021 -4.202 5.020 1.00 2.68 C ATOM 465 CD GLU A 34 -12.079 -5.268 5.195 1.00 3.58 C ATOM 466 OE1 GLU A 34 -13.195 -5.104 4.659 1.00 4.13 O ATOM 467 OE2 GLU A 34 -11.796 -6.282 5.865 1.00 4.13 O ATOM 0 H GLU A 34 -10.022 -0.374 7.181 1.00 1.57 H new ATOM 0 HA GLU A 34 -9.440 -2.318 6.323 1.00 1.27 H new ATOM 0 HB2 GLU A 34 -11.737 -3.088 6.702 1.00 2.01 H new ATOM 0 HB3 GLU A 34 -12.235 -2.444 5.150 1.00 2.01 H new ATOM 0 HG2 GLU A 34 -10.856 -4.031 3.956 1.00 2.68 H new ATOM 0 HG3 GLU A 34 -10.079 -4.559 5.436 1.00 2.68 H new ATOM 474 N GLU A 35 -10.481 -0.926 3.508 1.00 1.01 N ATOM 475 CA GLU A 35 -10.042 -0.546 2.176 1.00 0.87 C ATOM 476 C GLU A 35 -9.411 0.842 2.223 1.00 0.73 C ATOM 477 O GLU A 35 -10.104 1.840 2.426 1.00 0.89 O ATOM 478 CB GLU A 35 -11.223 -0.565 1.205 1.00 1.09 C ATOM 479 CG GLU A 35 -11.977 -1.886 1.201 1.00 1.72 C ATOM 480 CD GLU A 35 -13.129 -1.901 0.220 1.00 1.94 C ATOM 481 OE1 GLU A 35 -14.246 -1.488 0.598 1.00 2.36 O ATOM 482 OE2 GLU A 35 -12.920 -2.328 -0.935 1.00 2.45 O ATOM 0 H GLU A 35 -11.431 -0.633 3.738 1.00 1.01 H new ATOM 0 HA GLU A 35 -9.299 -1.261 1.824 1.00 0.87 H new ATOM 0 HB2 GLU A 35 -11.912 0.238 1.466 1.00 1.09 H new ATOM 0 HB3 GLU A 35 -10.860 -0.359 0.198 1.00 1.09 H new ATOM 0 HG2 GLU A 35 -11.286 -2.693 0.955 1.00 1.72 H new ATOM 0 HG3 GLU A 35 -12.357 -2.085 2.203 1.00 1.72 H new ATOM 489 N TRP A 36 -8.094 0.902 2.075 1.00 0.53 N ATOM 490 CA TRP A 36 -7.377 2.167 2.183 1.00 0.45 C ATOM 491 C TRP A 36 -7.154 2.783 0.808 1.00 0.46 C ATOM 492 O TRP A 36 -7.778 2.390 -0.181 1.00 0.52 O ATOM 493 CB TRP A 36 -6.014 1.972 2.855 1.00 0.38 C ATOM 494 CG TRP A 36 -5.977 0.898 3.897 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.875 0.678 4.902 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.959 -0.096 4.043 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.482 -0.408 5.650 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.306 -0.896 5.141 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.783 -0.390 3.344 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.522 -1.973 5.552 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -3.018 -1.451 3.754 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.384 -2.231 4.844 1.00 0.19 C ATOM 0 H TRP A 36 -7.502 0.094 1.881 1.00 0.53 H new ATOM 0 HA TRP A 36 -7.991 2.833 2.790 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.276 1.740 2.087 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.712 2.914 3.313 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.761 1.268 5.083 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.984 -0.788 6.453 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.483 0.208 2.496 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.805 -2.581 6.399 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.110 -1.686 3.218 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.755 -3.059 5.137 1.00 0.19 H new ATOM 513 N LEU A 37 -6.245 3.747 0.762 1.00 0.43 N ATOM 514 CA LEU A 37 -5.882 4.406 -0.477 1.00 0.42 C ATOM 515 C LEU A 37 -5.116 3.447 -1.375 1.00 0.37 C ATOM 516 O LEU A 37 -3.979 3.080 -1.069 1.00 0.35 O ATOM 517 CB LEU A 37 -5.012 5.626 -0.165 1.00 0.45 C ATOM 518 CG LEU A 37 -4.508 6.405 -1.380 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.664 7.067 -2.111 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.486 7.446 -0.952 1.00 0.50 C ATOM 0 H LEU A 37 -5.743 4.090 1.581 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.788 4.724 -0.993 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.583 6.305 0.468 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -4.151 5.297 0.416 1.00 0.45 H new ATOM 0 HG LEU A 37 -4.028 5.704 -2.063 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.283 7.616 -2.972 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.366 6.304 -2.448 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -6.173 7.756 -1.438 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -3.136 7.993 -1.827 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.947 8.141 -0.250 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.642 6.951 -0.472 1.00 0.50 H new ATOM 532 N ASP A 38 -5.738 3.019 -2.466 1.00 0.38 N ATOM 533 CA ASP A 38 -5.037 2.198 -3.437 1.00 0.41 C ATOM 534 C ASP A 38 -4.073 3.036 -4.256 1.00 0.39 C ATOM 535 O ASP A 38 -4.459 4.019 -4.888 1.00 0.44 O ATOM 536 CB ASP A 38 -5.990 1.448 -4.358 1.00 0.56 C ATOM 537 CG ASP A 38 -5.280 0.301 -5.032 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.586 0.533 -6.035 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.406 -0.839 -4.564 1.00 2.51 O ATOM 0 H ASP A 38 -6.710 3.224 -2.696 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.475 1.455 -2.872 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.838 1.072 -3.786 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.389 2.129 -5.110 1.00 0.56 H new ATOM 544 N ILE A 39 -2.817 2.621 -4.227 1.00 0.38 N ATOM 545 CA ILE A 39 -1.733 3.281 -4.935 1.00 0.38 C ATOM 546 C ILE A 39 -2.027 3.397 -6.430 1.00 0.39 C ATOM 547 O ILE A 39 -1.704 4.404 -7.062 1.00 0.46 O ATOM 548 CB ILE A 39 -0.421 2.494 -4.719 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.137 2.373 -3.218 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.740 3.145 -5.451 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.276 1.938 -2.879 1.00 0.43 C ATOM 0 H ILE A 39 -2.517 1.800 -3.701 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.632 4.290 -4.536 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.538 1.494 -5.136 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.331 3.336 -2.746 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.837 1.659 -2.785 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.648 2.567 -5.279 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.526 3.175 -6.519 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.880 4.161 -5.081 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.389 1.879 -1.796 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.471 0.960 -3.318 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.985 2.663 -3.278 1.00 0.43 H new ATOM 563 N LEU A 40 -2.660 2.375 -6.984 1.00 0.39 N ATOM 564 CA LEU A 40 -2.963 2.354 -8.413 1.00 0.49 C ATOM 565 C LEU A 40 -4.459 2.488 -8.641 1.00 0.49 C ATOM 566 O LEU A 40 -4.929 2.545 -9.779 1.00 0.62 O ATOM 567 CB LEU A 40 -2.456 1.056 -9.046 1.00 0.56 C ATOM 568 CG LEU A 40 -0.955 0.803 -8.904 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.584 -0.504 -9.577 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.163 1.958 -9.503 1.00 0.72 C ATOM 0 H LEU A 40 -2.974 1.551 -6.472 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.458 3.198 -8.882 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.993 0.219 -8.599 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.707 1.066 -10.107 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.708 0.733 -7.845 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.487 -0.677 -9.471 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.131 -1.322 -9.109 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.841 -0.454 -10.635 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.904 1.763 -9.394 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.408 2.057 -10.561 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.418 2.882 -8.984 1.00 0.72 H new ATOM 582 N GLY A 41 -5.197 2.546 -7.542 1.00 0.43 N ATOM 583 CA GLY A 41 -6.641 2.530 -7.595 1.00 0.51 C ATOM 584 C GLY A 41 -7.165 1.230 -8.177 1.00 0.45 C ATOM 585 O GLY A 41 -8.274 1.180 -8.715 1.00 0.52 O ATOM 0 H GLY A 41 -4.811 2.605 -6.600 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.044 2.668 -6.592 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.993 3.367 -8.198 1.00 0.51 H new ATOM 589 N ASN A 42 -6.357 0.177 -8.061 1.00 0.39 N ATOM 590 CA ASN A 42 -6.706 -1.127 -8.630 1.00 0.42 C ATOM 591 C ASN A 42 -7.382 -2.026 -7.603 1.00 0.43 C ATOM 592 O ASN A 42 -8.091 -2.965 -7.957 1.00 0.56 O ATOM 593 CB ASN A 42 -5.477 -1.831 -9.247 1.00 0.49 C ATOM 594 CG ASN A 42 -4.452 -2.403 -8.265 1.00 0.55 C ATOM 595 OD1 ASN A 42 -3.834 -3.425 -8.549 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.216 -1.751 -7.143 1.00 0.44 N ATOM 0 H ASN A 42 -5.458 0.200 -7.580 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.419 -0.939 -9.432 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -5.832 -2.643 -9.881 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -4.967 -1.120 -9.896 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.509 -2.094 -6.493 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.740 -0.904 -6.926 1.00 0.44 H new ATOM 603 N GLY A 43 -7.152 -1.741 -6.333 1.00 0.40 N ATOM 604 CA GLY A 43 -7.835 -2.456 -5.274 1.00 0.50 C ATOM 605 C GLY A 43 -6.925 -3.436 -4.570 1.00 0.45 C ATOM 606 O GLY A 43 -7.209 -3.869 -3.454 1.00 0.72 O ATOM 0 H GLY A 43 -6.501 -1.024 -6.013 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.227 -1.742 -4.550 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.689 -2.990 -5.690 1.00 0.50 H new ATOM 610 N LEU A 44 -5.814 -3.768 -5.211 1.00 0.29 N ATOM 611 CA LEU A 44 -4.925 -4.802 -4.699 1.00 0.36 C ATOM 612 C LEU A 44 -3.783 -4.188 -3.890 1.00 0.25 C ATOM 613 O LEU A 44 -3.187 -4.850 -3.047 1.00 0.27 O ATOM 614 CB LEU A 44 -4.338 -5.639 -5.854 1.00 0.60 C ATOM 615 CG LEU A 44 -5.208 -5.767 -7.112 1.00 0.51 C ATOM 616 CD1 LEU A 44 -4.537 -6.654 -8.140 1.00 1.46 C ATOM 617 CD2 LEU A 44 -6.588 -6.296 -6.784 1.00 1.56 C ATOM 0 H LEU A 44 -5.507 -3.338 -6.084 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.514 -5.449 -4.049 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -3.382 -5.201 -6.142 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -4.130 -6.641 -5.479 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.323 -4.768 -7.532 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -5.171 -6.731 -9.023 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -3.575 -6.224 -8.420 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -4.381 -7.647 -7.718 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -7.175 -6.373 -7.699 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -6.501 -7.281 -6.325 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -7.083 -5.616 -6.091 1.00 1.56 H new ATOM 629 N LEU A 45 -3.471 -2.928 -4.172 1.00 0.23 N ATOM 630 CA LEU A 45 -2.298 -2.269 -3.605 1.00 0.22 C ATOM 631 C LEU A 45 -2.672 -0.982 -2.855 1.00 0.22 C ATOM 632 O LEU A 45 -2.852 0.063 -3.466 1.00 0.32 O ATOM 633 CB LEU A 45 -1.314 -2.001 -4.744 1.00 0.30 C ATOM 634 CG LEU A 45 -0.157 -1.054 -4.442 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.633 -1.540 -3.240 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.744 -0.950 -5.658 1.00 0.31 C ATOM 0 H LEU A 45 -4.020 -2.337 -4.796 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.833 -2.917 -2.862 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.897 -2.956 -5.065 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.873 -1.597 -5.588 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.559 -0.068 -4.207 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.454 -0.851 -3.041 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.021 -1.586 -2.369 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.034 -2.532 -3.445 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.571 -0.273 -5.442 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.138 -1.936 -5.905 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.172 -0.566 -6.503 1.00 0.31 H new ATOM 648 N ARG A 46 -2.747 -1.047 -1.531 1.00 0.20 N ATOM 649 CA ARG A 46 -3.223 0.087 -0.736 1.00 0.22 C ATOM 650 C ARG A 46 -2.271 0.412 0.410 1.00 0.19 C ATOM 651 O ARG A 46 -1.767 -0.493 1.067 1.00 0.19 O ATOM 652 CB ARG A 46 -4.603 -0.239 -0.173 1.00 0.25 C ATOM 653 CG ARG A 46 -5.650 -0.432 -1.248 1.00 0.36 C ATOM 654 CD ARG A 46 -6.953 -0.960 -0.681 1.00 0.37 C ATOM 655 NE ARG A 46 -6.793 -2.312 -0.138 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.766 -3.227 -0.071 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.973 -2.967 -0.568 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.514 -4.417 0.472 1.00 0.99 N ATOM 0 H ARG A 46 -2.486 -1.867 -0.984 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.274 0.960 -1.387 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.538 -1.145 0.430 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.917 0.565 0.492 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.832 0.517 -1.752 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.274 -1.125 -2.000 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.307 -0.291 0.103 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.714 -0.968 -1.461 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.872 -2.574 0.214 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.161 -2.064 -1.004 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.710 -3.670 -0.513 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.583 -4.626 0.834 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.252 -5.119 0.526 1.00 0.99 H new ATOM 672 N LYS A 47 -2.057 1.703 0.663 1.00 0.20 N ATOM 673 CA LYS A 47 -1.125 2.157 1.694 1.00 0.17 C ATOM 674 C LYS A 47 -1.880 2.826 2.848 1.00 0.18 C ATOM 675 O LYS A 47 -2.656 3.756 2.630 1.00 0.22 O ATOM 676 CB LYS A 47 -0.144 3.165 1.085 1.00 0.23 C ATOM 677 CG LYS A 47 1.180 3.273 1.825 1.00 0.25 C ATOM 678 CD LYS A 47 1.833 4.631 1.628 1.00 0.32 C ATOM 679 CE LYS A 47 1.179 5.693 2.513 1.00 0.20 C ATOM 680 NZ LYS A 47 2.116 6.796 2.888 1.00 0.35 N ATOM 0 H LYS A 47 -2.522 2.460 0.162 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.584 1.293 2.080 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.053 2.884 0.051 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.616 4.147 1.064 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.016 3.100 2.889 1.00 0.25 H new ATOM 0 HG3 LYS A 47 1.855 2.492 1.476 1.00 0.25 H new ATOM 0 HD2 LYS A 47 2.896 4.564 1.861 1.00 0.32 H new ATOM 0 HD3 LYS A 47 1.754 4.927 0.582 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.320 6.115 1.991 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.801 5.221 3.420 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.587 7.688 2.969 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.565 6.575 3.800 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.848 6.893 2.156 1.00 0.35 H new ATOM 694 N LYS A 48 -1.653 2.357 4.072 1.00 0.16 N ATOM 695 CA LYS A 48 -2.284 2.957 5.243 1.00 0.18 C ATOM 696 C LYS A 48 -1.240 3.557 6.178 1.00 0.17 C ATOM 697 O LYS A 48 -0.361 2.855 6.676 1.00 0.22 O ATOM 698 CB LYS A 48 -3.124 1.924 6.001 1.00 0.25 C ATOM 699 CG LYS A 48 -3.913 2.518 7.162 1.00 0.32 C ATOM 700 CD LYS A 48 -4.902 1.521 7.745 1.00 0.69 C ATOM 701 CE LYS A 48 -4.218 0.413 8.536 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.491 0.945 9.719 1.00 1.07 N ATOM 0 H LYS A 48 -1.040 1.568 4.278 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.939 3.754 4.891 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.817 1.450 5.306 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.467 1.141 6.381 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.223 2.843 7.941 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.449 3.404 6.821 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.603 2.047 8.394 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.486 1.079 6.938 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -4.963 -0.312 8.863 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.520 -0.117 7.889 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -3.011 0.165 10.211 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -2.786 1.644 9.408 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.167 1.399 10.366 1.00 1.07 H new ATOM 716 N THR A 49 -1.350 4.853 6.421 1.00 0.18 N ATOM 717 CA THR A 49 -0.425 5.556 7.295 1.00 0.20 C ATOM 718 C THR A 49 -0.691 5.245 8.760 1.00 0.21 C ATOM 719 O THR A 49 -1.722 5.630 9.309 1.00 0.29 O ATOM 720 CB THR A 49 -0.529 7.075 7.069 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.909 7.461 7.007 1.00 0.33 O ATOM 722 CG2 THR A 49 0.179 7.483 5.789 1.00 0.25 C ATOM 0 H THR A 49 -2.078 5.444 6.021 1.00 0.18 H new ATOM 0 HA THR A 49 0.580 5.214 7.049 1.00 0.20 H new ATOM 0 HB THR A 49 -0.045 7.582 7.904 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.402 7.033 7.738 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.091 8.561 5.652 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.232 7.210 5.853 1.00 0.25 H new ATOM 0 HG23 THR A 49 -0.277 6.971 4.942 1.00 0.25 H new ATOM 730 N LEU A 50 0.225 4.515 9.378 1.00 0.18 N ATOM 731 CA LEU A 50 0.188 4.320 10.817 1.00 0.21 C ATOM 732 C LEU A 50 0.632 5.622 11.447 1.00 0.23 C ATOM 733 O LEU A 50 -0.032 6.192 12.312 1.00 0.28 O ATOM 734 CB LEU A 50 1.148 3.210 11.224 1.00 0.21 C ATOM 735 CG LEU A 50 1.156 1.995 10.302 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.380 1.145 10.575 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.114 1.186 10.474 1.00 0.24 C ATOM 0 H LEU A 50 1.000 4.050 8.906 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.814 4.039 11.141 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.157 3.621 11.268 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.893 2.881 12.232 1.00 0.21 H new ATOM 0 HG LEU A 50 1.197 2.338 9.268 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.377 0.280 9.912 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.279 1.735 10.398 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.365 0.808 11.611 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.089 0.324 9.808 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.191 0.845 11.506 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -0.977 1.807 10.232 1.00 0.24 H new ATOM 749 N VAL A 51 1.781 6.069 10.966 1.00 0.23 N ATOM 750 CA VAL A 51 2.319 7.379 11.254 1.00 0.27 C ATOM 751 C VAL A 51 2.771 7.963 9.937 1.00 0.24 C ATOM 752 O VAL A 51 3.425 7.268 9.177 1.00 0.23 O ATOM 753 CB VAL A 51 3.533 7.299 12.188 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.072 8.684 12.501 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.185 6.561 13.465 1.00 0.36 C ATOM 0 H VAL A 51 2.376 5.514 10.350 1.00 0.23 H new ATOM 0 HA VAL A 51 1.557 7.985 11.744 1.00 0.27 H new ATOM 0 HB VAL A 51 4.314 6.740 11.673 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.932 8.598 13.165 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.375 9.174 11.576 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.296 9.275 12.987 1.00 0.36 H new ATOM 0 HG21 VAL A 51 4.062 6.518 14.111 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.380 7.085 13.981 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.862 5.548 13.224 1.00 0.36 H new ATOM 765 N PRO A 52 2.387 9.200 9.620 1.00 0.29 N ATOM 766 CA PRO A 52 2.710 9.833 8.355 1.00 0.32 C ATOM 767 C PRO A 52 3.764 10.943 8.463 1.00 0.34 C ATOM 768 O PRO A 52 3.526 12.077 8.051 1.00 0.54 O ATOM 769 CB PRO A 52 1.348 10.407 8.024 1.00 0.41 C ATOM 770 CG PRO A 52 0.804 10.873 9.349 1.00 0.46 C ATOM 771 CD PRO A 52 1.517 10.071 10.414 1.00 0.37 C ATOM 0 HA PRO A 52 3.151 9.158 7.622 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.426 11.231 7.315 1.00 0.41 H new ATOM 0 HB3 PRO A 52 0.700 9.657 7.571 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.978 11.940 9.486 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.273 10.717 9.402 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.087 10.709 11.089 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.820 9.500 11.027 1.00 0.37 H new ATOM 779 N GLY A 53 4.932 10.597 8.991 1.00 0.24 N ATOM 780 CA GLY A 53 6.008 11.559 9.115 1.00 0.28 C ATOM 781 C GLY A 53 5.865 12.450 10.338 1.00 0.29 C ATOM 782 O GLY A 53 5.172 13.467 10.291 1.00 0.55 O ATOM 0 H GLY A 53 5.153 9.663 9.337 1.00 0.24 H new ATOM 0 HA2 GLY A 53 6.959 11.029 9.167 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.038 12.181 8.220 1.00 0.28 H new ATOM 786 N PRO A 54 6.502 12.075 11.458 1.00 0.52 N ATOM 787 CA PRO A 54 6.481 12.866 12.702 1.00 0.67 C ATOM 788 C PRO A 54 7.028 14.305 12.561 1.00 0.78 C ATOM 789 O PRO A 54 6.392 15.250 13.039 1.00 1.20 O ATOM 790 CB PRO A 54 7.351 12.050 13.664 1.00 1.03 C ATOM 791 CG PRO A 54 7.338 10.665 13.109 1.00 1.42 C ATOM 792 CD PRO A 54 7.262 10.822 11.618 1.00 0.91 C ATOM 0 HA PRO A 54 5.455 13.017 13.039 1.00 0.67 H new ATOM 0 HB2 PRO A 54 8.365 12.447 13.713 1.00 1.03 H new ATOM 0 HB3 PRO A 54 6.950 12.074 14.677 1.00 1.03 H new ATOM 0 HG2 PRO A 54 8.236 10.119 13.399 1.00 1.42 H new ATOM 0 HG3 PRO A 54 6.485 10.100 13.487 1.00 1.42 H new ATOM 0 HD2 PRO A 54 8.252 10.890 11.168 1.00 0.91 H new ATOM 0 HD3 PRO A 54 6.755 9.979 11.148 1.00 0.91 H new ATOM 800 N PRO A 55 8.210 14.519 11.934 1.00 0.97 N ATOM 801 CA PRO A 55 8.783 15.846 11.793 1.00 1.24 C ATOM 802 C PRO A 55 8.424 16.502 10.462 1.00 0.93 C ATOM 803 O PRO A 55 7.440 16.128 9.817 1.00 1.20 O ATOM 804 CB PRO A 55 10.290 15.567 11.859 1.00 1.81 C ATOM 805 CG PRO A 55 10.468 14.115 11.515 1.00 2.04 C ATOM 806 CD PRO A 55 9.095 13.522 11.324 1.00 1.47 C ATOM 0 HA PRO A 55 8.417 16.537 12.552 1.00 1.24 H new ATOM 0 HB2 PRO A 55 10.833 16.201 11.159 1.00 1.81 H new ATOM 0 HB3 PRO A 55 10.682 15.781 12.853 1.00 1.81 H new ATOM 0 HG2 PRO A 55 11.062 14.006 10.608 1.00 2.04 H new ATOM 0 HG3 PRO A 55 11.003 13.595 12.310 1.00 2.04 H new ATOM 0 HD2 PRO A 55 8.865 13.371 10.269 1.00 1.47 H new ATOM 0 HD3 PRO A 55 9.004 12.551 11.812 1.00 1.47 H new ATOM 814 N GLY A 56 9.218 17.492 10.059 1.00 0.98 N ATOM 815 CA GLY A 56 9.065 18.093 8.745 1.00 0.82 C ATOM 816 C GLY A 56 9.659 17.200 7.680 1.00 0.64 C ATOM 817 O GLY A 56 10.698 17.516 7.094 1.00 0.69 O ATOM 0 H GLY A 56 9.969 17.890 10.623 1.00 0.98 H new ATOM 0 HA2 GLY A 56 8.008 18.263 8.537 1.00 0.82 H new ATOM 0 HA3 GLY A 56 9.554 19.067 8.725 1.00 0.82 H new ATOM 821 N SER A 57 9.007 16.071 7.456 1.00 0.52 N ATOM 822 CA SER A 57 9.520 15.022 6.609 1.00 0.40 C ATOM 823 C SER A 57 9.651 15.438 5.148 1.00 0.34 C ATOM 824 O SER A 57 9.284 16.543 4.749 1.00 0.43 O ATOM 825 CB SER A 57 8.606 13.817 6.728 1.00 0.40 C ATOM 826 OG SER A 57 8.495 13.403 8.076 1.00 0.99 O ATOM 0 H SER A 57 8.096 15.861 7.865 1.00 0.52 H new ATOM 0 HA SER A 57 10.528 14.784 6.947 1.00 0.40 H new ATOM 0 HB2 SER A 57 7.619 14.063 6.336 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.995 12.999 6.122 1.00 0.40 H new ATOM 0 HG SER A 57 8.931 12.532 8.188 1.00 0.99 H new ATOM 832 N SER A 58 10.205 14.530 4.366 1.00 0.28 N ATOM 833 CA SER A 58 10.396 14.715 2.945 1.00 0.30 C ATOM 834 C SER A 58 10.247 13.363 2.265 1.00 0.27 C ATOM 835 O SER A 58 10.694 12.354 2.808 1.00 0.38 O ATOM 836 CB SER A 58 11.791 15.275 2.684 1.00 0.38 C ATOM 837 OG SER A 58 12.027 16.435 3.469 1.00 1.28 O ATOM 0 H SER A 58 10.539 13.629 4.709 1.00 0.28 H new ATOM 0 HA SER A 58 9.659 15.415 2.552 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.540 14.517 2.914 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.897 15.519 1.627 1.00 0.38 H new ATOM 0 HG SER A 58 12.928 16.776 3.287 1.00 1.28 H new ATOM 843 N ARG A 59 9.606 13.321 1.116 1.00 0.32 N ATOM 844 CA ARG A 59 9.452 12.068 0.403 1.00 0.30 C ATOM 845 C ARG A 59 10.629 11.859 -0.530 1.00 0.27 C ATOM 846 O ARG A 59 10.867 12.665 -1.435 1.00 0.34 O ATOM 847 CB ARG A 59 8.138 12.043 -0.375 1.00 0.42 C ATOM 848 CG ARG A 59 6.935 12.259 0.520 1.00 0.64 C ATOM 849 CD ARG A 59 5.620 12.078 -0.211 1.00 0.68 C ATOM 850 NE ARG A 59 4.493 12.258 0.701 1.00 1.41 N ATOM 851 CZ ARG A 59 3.223 12.367 0.325 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.895 12.313 -0.959 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.279 12.534 1.247 1.00 2.81 N ATOM 0 H ARG A 59 9.187 14.130 0.658 1.00 0.32 H new ATOM 0 HA ARG A 59 9.427 11.255 1.128 1.00 0.30 H new ATOM 0 HB2 ARG A 59 8.159 12.815 -1.144 1.00 0.42 H new ATOM 0 HB3 ARG A 59 8.040 11.086 -0.887 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.980 11.561 1.356 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.976 13.264 0.941 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.551 12.796 -1.028 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.579 11.084 -0.656 1.00 0.68 H new ATOM 0 HE ARG A 59 4.696 12.303 1.700 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.620 12.187 -1.666 1.00 1.78 H new ATOM 0 HH12 ARG A 59 1.918 12.397 -1.240 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.532 12.578 2.234 1.00 2.81 H new ATOM 0 HH22 ARG A 59 1.302 12.619 0.967 1.00 2.81 H new ATOM 867 N PRO A 60 11.420 10.804 -0.277 1.00 0.23 N ATOM 868 CA PRO A 60 12.565 10.432 -1.114 1.00 0.26 C ATOM 869 C PRO A 60 12.198 10.302 -2.587 1.00 0.26 C ATOM 870 O PRO A 60 11.078 9.919 -2.928 1.00 0.28 O ATOM 871 CB PRO A 60 12.999 9.066 -0.562 1.00 0.30 C ATOM 872 CG PRO A 60 11.897 8.633 0.346 1.00 0.28 C ATOM 873 CD PRO A 60 11.283 9.895 0.867 1.00 0.21 C ATOM 0 HA PRO A 60 13.345 11.193 -1.075 1.00 0.26 H new ATOM 0 HB2 PRO A 60 13.149 8.347 -1.368 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.944 9.143 -0.024 1.00 0.30 H new ATOM 0 HG2 PRO A 60 11.162 8.032 -0.189 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.280 8.018 1.161 1.00 0.28 H new ATOM 0 HD2 PRO A 60 10.240 9.753 1.151 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.805 10.268 1.748 1.00 0.21 H new ATOM 881 N VAL A 61 13.148 10.608 -3.452 1.00 0.29 N ATOM 882 CA VAL A 61 12.922 10.530 -4.882 1.00 0.31 C ATOM 883 C VAL A 61 13.395 9.178 -5.392 1.00 0.28 C ATOM 884 O VAL A 61 14.281 8.562 -4.801 1.00 0.27 O ATOM 885 CB VAL A 61 13.673 11.648 -5.640 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.234 11.714 -7.097 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.470 12.993 -4.956 1.00 0.88 C ATOM 0 H VAL A 61 14.085 10.913 -3.188 1.00 0.29 H new ATOM 0 HA VAL A 61 11.854 10.656 -5.062 1.00 0.31 H new ATOM 0 HB VAL A 61 14.736 11.410 -5.620 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.779 12.509 -7.605 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.444 10.762 -7.584 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.164 11.918 -7.146 1.00 0.81 H new ATOM 0 HG21 VAL A 61 14.007 13.766 -5.506 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.407 13.234 -4.936 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.850 12.943 -3.936 1.00 0.88 H new ATOM 897 N LYS A 62 12.796 8.706 -6.464 1.00 0.27 N ATOM 898 CA LYS A 62 13.234 7.472 -7.086 1.00 0.27 C ATOM 899 C LYS A 62 14.644 7.644 -7.605 1.00 0.25 C ATOM 900 O LYS A 62 14.930 8.516 -8.424 1.00 0.31 O ATOM 901 CB LYS A 62 12.272 7.057 -8.201 1.00 0.30 C ATOM 902 CG LYS A 62 10.876 6.714 -7.692 1.00 0.37 C ATOM 903 CD LYS A 62 10.056 5.999 -8.752 1.00 0.41 C ATOM 904 CE LYS A 62 8.819 5.355 -8.150 1.00 0.60 C ATOM 905 NZ LYS A 62 8.374 4.168 -8.928 1.00 1.17 N ATOM 0 H LYS A 62 12.005 9.157 -6.924 1.00 0.27 H new ATOM 0 HA LYS A 62 13.232 6.673 -6.345 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.198 7.866 -8.928 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.683 6.194 -8.725 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.955 6.084 -6.806 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.364 7.627 -7.389 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.760 6.708 -9.526 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.667 5.237 -9.235 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.029 5.057 -7.123 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.012 6.086 -8.111 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.400 4.316 -9.261 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 9.003 4.033 -9.745 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.408 3.323 -8.322 1.00 1.17 H new ATOM 919 N GLY A 63 15.511 6.804 -7.088 1.00 0.25 N ATOM 920 CA GLY A 63 16.920 6.943 -7.296 1.00 0.27 C ATOM 921 C GLY A 63 17.645 6.894 -5.976 1.00 0.30 C ATOM 922 O GLY A 63 18.680 6.243 -5.838 1.00 0.42 O ATOM 0 H GLY A 63 15.250 6.005 -6.510 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.280 6.146 -7.947 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.130 7.886 -7.800 1.00 0.27 H new ATOM 926 N GLN A 64 17.080 7.564 -4.983 1.00 0.26 N ATOM 927 CA GLN A 64 17.677 7.571 -3.663 1.00 0.28 C ATOM 928 C GLN A 64 17.541 6.192 -3.051 1.00 0.24 C ATOM 929 O GLN A 64 16.470 5.583 -3.113 1.00 0.24 O ATOM 930 CB GLN A 64 17.012 8.604 -2.742 1.00 0.30 C ATOM 931 CG GLN A 64 16.551 9.901 -3.412 1.00 0.36 C ATOM 932 CD GLN A 64 17.647 10.704 -4.105 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.589 10.034 -4.737 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.608 11.931 -4.111 1.00 0.43 N flip ATOM 0 H GLN A 64 16.218 8.103 -5.067 1.00 0.26 H new ATOM 0 HA GLN A 64 18.727 7.843 -3.767 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.149 8.137 -2.268 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.714 8.858 -1.947 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.783 9.658 -4.146 1.00 0.36 H new ATOM 0 HG3 GLN A 64 16.082 10.533 -2.658 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.865 12.420 -3.612 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.318 12.461 -4.615 1.00 0.43 H new ATOM 943 N VAL A 65 18.622 5.676 -2.495 1.00 0.28 N ATOM 944 CA VAL A 65 18.538 4.414 -1.804 1.00 0.31 C ATOM 945 C VAL A 65 18.074 4.668 -0.378 1.00 0.25 C ATOM 946 O VAL A 65 18.690 5.411 0.390 1.00 0.32 O ATOM 947 CB VAL A 65 19.854 3.591 -1.848 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.309 3.371 -3.284 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.954 4.236 -1.038 1.00 1.05 C ATOM 0 H VAL A 65 19.548 6.104 -2.510 1.00 0.28 H new ATOM 0 HA VAL A 65 17.810 3.793 -2.325 1.00 0.31 H new ATOM 0 HB VAL A 65 19.640 2.622 -1.396 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.233 2.792 -3.288 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.538 2.828 -3.831 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.483 4.335 -3.762 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.855 3.626 -1.098 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.162 5.230 -1.434 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.640 4.318 0.002 1.00 1.05 H new ATOM 959 N VAL A 66 16.938 4.101 -0.058 1.00 0.19 N ATOM 960 CA VAL A 66 16.276 4.381 1.190 1.00 0.15 C ATOM 961 C VAL A 66 16.204 3.151 2.067 1.00 0.16 C ATOM 962 O VAL A 66 16.069 2.033 1.571 1.00 0.21 O ATOM 963 CB VAL A 66 14.853 4.919 0.943 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.895 6.257 0.223 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.036 3.934 0.123 1.00 0.25 C ATOM 0 H VAL A 66 16.448 3.434 -0.654 1.00 0.19 H new ATOM 0 HA VAL A 66 16.865 5.140 1.705 1.00 0.15 H new ATOM 0 HB VAL A 66 14.381 5.052 1.916 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.878 6.615 0.061 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.442 6.979 0.829 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.395 6.137 -0.738 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.036 4.336 -0.038 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.521 3.772 -0.840 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.964 2.987 0.658 1.00 0.25 H new ATOM 975 N THR A 67 16.317 3.370 3.367 1.00 0.13 N ATOM 976 CA THR A 67 16.219 2.297 4.329 1.00 0.15 C ATOM 977 C THR A 67 14.769 2.095 4.746 1.00 0.16 C ATOM 978 O THR A 67 14.152 2.976 5.358 1.00 0.21 O ATOM 979 CB THR A 67 17.061 2.565 5.599 1.00 0.20 C ATOM 980 OG1 THR A 67 16.527 3.663 6.344 1.00 0.29 O ATOM 981 CG2 THR A 67 18.509 2.863 5.268 1.00 0.27 C ATOM 0 H THR A 67 16.478 4.290 3.777 1.00 0.13 H new ATOM 0 HA THR A 67 16.607 1.404 3.840 1.00 0.15 H new ATOM 0 HB THR A 67 17.017 1.654 6.196 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.557 3.708 6.211 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.063 3.045 6.189 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.945 2.012 4.744 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.562 3.747 4.632 1.00 0.27 H new ATOM 989 N VAL A 68 14.207 0.960 4.401 1.00 0.15 N ATOM 990 CA VAL A 68 12.897 0.624 4.899 1.00 0.15 C ATOM 991 C VAL A 68 12.979 -0.536 5.865 1.00 0.15 C ATOM 992 O VAL A 68 13.790 -1.439 5.702 1.00 0.17 O ATOM 993 CB VAL A 68 11.887 0.272 3.786 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.572 1.496 2.943 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.409 -0.862 2.916 1.00 0.19 C ATOM 0 H VAL A 68 14.630 0.264 3.787 1.00 0.15 H new ATOM 0 HA VAL A 68 12.534 1.520 5.402 1.00 0.15 H new ATOM 0 HB VAL A 68 10.965 -0.065 4.259 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.858 1.227 2.164 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.143 2.273 3.576 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.488 1.867 2.484 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.679 -1.091 2.140 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.349 -0.562 2.453 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.573 -1.747 3.531 1.00 0.19 H new ATOM 1005 N HIS A 69 12.160 -0.496 6.885 1.00 0.14 N ATOM 1006 CA HIS A 69 11.976 -1.648 7.731 1.00 0.15 C ATOM 1007 C HIS A 69 10.662 -2.278 7.356 1.00 0.14 C ATOM 1008 O HIS A 69 9.623 -1.658 7.512 1.00 0.15 O ATOM 1009 CB HIS A 69 11.970 -1.275 9.228 1.00 0.15 C ATOM 1010 CG HIS A 69 11.701 -2.454 10.137 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.094 -2.534 11.454 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.071 -3.620 9.879 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.716 -3.708 11.946 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.097 -4.374 11.010 1.00 0.18 N ATOM 0 H HIS A 69 11.610 0.321 7.150 1.00 0.14 H new ATOM 0 HA HIS A 69 12.807 -2.338 7.582 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.932 -0.835 9.490 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.213 -0.511 9.402 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.594 -1.809 11.968 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.624 -3.904 8.938 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.892 -4.054 12.954 1.00 0.18 H new ATOM 1023 N LEU A 70 10.687 -3.506 6.886 1.00 0.15 N ATOM 1024 CA LEU A 70 9.443 -4.161 6.586 1.00 0.16 C ATOM 1025 C LEU A 70 9.269 -5.412 7.428 1.00 0.15 C ATOM 1026 O LEU A 70 10.211 -6.160 7.683 1.00 0.21 O ATOM 1027 CB LEU A 70 9.287 -4.485 5.095 1.00 0.21 C ATOM 1028 CG LEU A 70 9.690 -5.893 4.668 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.194 -6.175 3.260 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.195 -6.067 4.732 1.00 0.38 C ATOM 0 H LEU A 70 11.529 -4.053 6.709 1.00 0.15 H new ATOM 0 HA LEU A 70 8.653 -3.455 6.840 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.245 -4.327 4.817 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.881 -3.771 4.525 1.00 0.21 H new ATOM 0 HG LEU A 70 9.232 -6.603 5.357 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.487 -7.183 2.966 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.108 -6.091 3.233 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.631 -5.454 2.569 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.458 -7.079 4.423 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.673 -5.349 4.066 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.538 -5.899 5.753 1.00 0.38 H new ATOM 1042 N GLN A 71 8.070 -5.581 7.910 1.00 0.13 N ATOM 1043 CA GLN A 71 7.633 -6.832 8.488 1.00 0.14 C ATOM 1044 C GLN A 71 6.303 -7.112 7.873 1.00 0.14 C ATOM 1045 O GLN A 71 5.349 -6.358 8.057 1.00 0.14 O ATOM 1046 CB GLN A 71 7.494 -6.789 10.008 1.00 0.15 C ATOM 1047 CG GLN A 71 8.424 -5.810 10.691 1.00 0.15 C ATOM 1048 CD GLN A 71 7.809 -4.439 10.850 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.867 -4.119 9.989 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.160 -3.692 11.757 1.00 0.18 N flip ATOM 0 H GLN A 71 7.358 -4.851 7.915 1.00 0.13 H new ATOM 0 HA GLN A 71 8.377 -7.603 8.288 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.465 -6.531 10.260 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.679 -7.787 10.406 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.697 -6.198 11.672 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.345 -5.726 10.114 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.895 -3.983 12.401 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.717 -2.780 11.867 1.00 0.18 H new ATOM 1059 N THR A 72 6.263 -8.151 7.114 1.00 0.15 N ATOM 1060 CA THR A 72 5.143 -8.412 6.276 1.00 0.16 C ATOM 1061 C THR A 72 4.284 -9.533 6.818 1.00 0.16 C ATOM 1062 O THR A 72 4.783 -10.592 7.188 1.00 0.17 O ATOM 1063 CB THR A 72 5.644 -8.764 4.887 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.476 -7.707 4.395 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.487 -9.003 3.952 1.00 0.19 C ATOM 0 H THR A 72 7.007 -8.846 7.056 1.00 0.15 H new ATOM 0 HA THR A 72 4.521 -7.518 6.240 1.00 0.16 H new ATOM 0 HB THR A 72 6.229 -9.682 4.942 1.00 0.17 H new ATOM 0 HG1 THR A 72 6.800 -7.936 3.499 1.00 0.19 H new ATOM 0 HG21 THR A 72 4.866 -9.254 2.961 1.00 0.19 H new ATOM 0 HG22 THR A 72 3.880 -9.826 4.328 1.00 0.19 H new ATOM 0 HG23 THR A 72 3.877 -8.102 3.890 1.00 0.19 H new ATOM 1073 N SER A 73 2.997 -9.285 6.843 1.00 0.17 N ATOM 1074 CA SER A 73 2.037 -10.259 7.269 1.00 0.17 C ATOM 1075 C SER A 73 1.333 -10.817 6.052 1.00 0.15 C ATOM 1076 O SER A 73 1.297 -10.192 4.993 1.00 0.26 O ATOM 1077 CB SER A 73 0.986 -9.615 8.179 1.00 0.23 C ATOM 1078 OG SER A 73 1.571 -8.813 9.191 1.00 1.06 O ATOM 0 H SER A 73 2.589 -8.393 6.565 1.00 0.17 H new ATOM 0 HA SER A 73 2.555 -11.047 7.816 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.313 -9.004 7.578 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.381 -10.395 8.641 1.00 0.23 H new ATOM 0 HG SER A 73 1.386 -7.868 9.007 1.00 1.06 H new ATOM 1084 N LEU A 74 0.798 -11.996 6.204 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.077 -12.562 5.215 1.00 0.18 C ATOM 1086 C LEU A 74 -1.458 -11.974 5.389 1.00 0.19 C ATOM 1087 O LEU A 74 -1.726 -11.343 6.407 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.116 -14.072 5.360 1.00 0.22 C ATOM 1089 CG LEU A 74 1.172 -14.776 4.965 1.00 0.38 C ATOM 1090 CD1 LEU A 74 0.921 -16.247 4.680 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.797 -14.080 3.771 1.00 0.72 C ATOM 0 H LEU A 74 0.956 -12.592 7.017 1.00 0.19 H new ATOM 0 HA LEU A 74 0.290 -12.326 4.216 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.347 -14.319 6.396 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.931 -14.462 4.750 1.00 0.22 H new ATOM 0 HG LEU A 74 1.872 -14.722 5.799 1.00 0.38 H new ATOM 0 HD11 LEU A 74 1.858 -16.728 4.400 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.519 -16.727 5.572 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.205 -16.342 3.863 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.719 -14.590 3.494 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.103 -14.104 2.931 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.019 -13.044 4.029 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.329 -12.167 4.410 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.680 -11.629 4.488 1.00 0.26 C ATOM 1105 C GLU A 75 -4.442 -12.172 5.699 1.00 0.32 C ATOM 1106 O GLU A 75 -5.482 -11.636 6.078 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.448 -11.916 3.199 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.523 -13.382 2.818 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.227 -13.578 1.491 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -6.465 -13.730 1.487 1.00 1.14 O ATOM 1111 OE2 GLU A 75 -4.544 -13.565 0.444 1.00 0.82 O ATOM 0 H GLU A 75 -2.127 -12.689 3.557 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.594 -10.550 4.613 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.462 -11.529 3.303 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.979 -11.366 2.383 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.516 -13.796 2.761 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -5.051 -13.934 3.596 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.921 -13.237 6.311 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.537 -13.792 7.512 1.00 0.41 C ATOM 1120 C ASN A 76 -3.902 -13.196 8.771 1.00 0.39 C ATOM 1121 O ASN A 76 -4.463 -13.281 9.862 1.00 0.51 O ATOM 1122 CB ASN A 76 -4.424 -15.325 7.535 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.131 -15.836 8.139 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -2.148 -16.102 7.293 1.00 2.14 O flip ATOM 1125 ND2 ASN A 76 -3.027 -16.016 9.352 1.00 1.13 N flip ATOM 0 H ASN A 76 -3.083 -13.726 5.997 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.594 -13.528 7.495 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -5.263 -15.733 8.098 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.511 -15.701 6.516 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.809 -15.798 9.969 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.158 -16.383 9.740 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.745 -12.569 8.604 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.061 -11.959 9.729 1.00 0.32 C ATOM 1134 C GLY A 77 -0.709 -12.585 10.033 1.00 0.32 C ATOM 1135 O GLY A 77 0.008 -12.114 10.915 1.00 0.51 O ATOM 0 H GLY A 77 -2.267 -12.471 7.708 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.923 -10.897 9.527 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.694 -12.035 10.613 1.00 0.32 H new ATOM 1139 N THR A 78 -0.349 -13.641 9.312 1.00 0.28 N ATOM 1140 CA THR A 78 0.908 -14.335 9.562 1.00 0.28 C ATOM 1141 C THR A 78 2.094 -13.553 9.025 1.00 0.23 C ATOM 1142 O THR A 78 2.263 -13.425 7.817 1.00 0.21 O ATOM 1143 CB THR A 78 0.921 -15.737 8.929 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.242 -16.462 9.330 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.167 -16.510 9.336 1.00 0.39 C ATOM 0 H THR A 78 -0.907 -14.033 8.554 1.00 0.28 H new ATOM 0 HA THR A 78 0.992 -14.427 10.645 1.00 0.28 H new ATOM 0 HB THR A 78 0.926 -15.619 7.845 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.781 -16.679 8.541 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.150 -17.497 8.874 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.054 -15.970 9.005 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.191 -16.617 10.420 1.00 0.39 H new ATOM 1153 N ARG A 79 2.911 -13.029 9.919 1.00 0.24 N ATOM 1154 CA ARG A 79 4.096 -12.309 9.507 1.00 0.22 C ATOM 1155 C ARG A 79 5.174 -13.263 9.054 1.00 0.24 C ATOM 1156 O ARG A 79 5.738 -14.025 9.838 1.00 0.33 O ATOM 1157 CB ARG A 79 4.573 -11.386 10.606 1.00 0.25 C ATOM 1158 CG ARG A 79 3.639 -10.208 10.742 1.00 0.25 C ATOM 1159 CD ARG A 79 4.396 -8.918 10.989 1.00 0.28 C ATOM 1160 NE ARG A 79 3.585 -7.740 10.657 1.00 0.33 N ATOM 1161 CZ ARG A 79 3.777 -6.515 11.159 1.00 0.38 C ATOM 1162 NH1 ARG A 79 4.685 -6.311 12.107 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.029 -5.499 10.734 1.00 0.47 N ATOM 0 H ARG A 79 2.776 -13.089 10.928 1.00 0.24 H new ATOM 0 HA ARG A 79 3.843 -11.684 8.651 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.624 -11.929 11.550 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.581 -11.036 10.384 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.041 -10.111 9.836 1.00 0.25 H new ATOM 0 HG3 ARG A 79 2.946 -10.386 11.564 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.699 -8.868 12.035 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.308 -8.912 10.393 1.00 0.28 H new ATOM 0 HE ARG A 79 2.819 -7.865 9.995 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.241 -7.091 12.457 1.00 0.42 H new ATOM 0 HH12 ARG A 79 4.826 -5.374 12.485 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.311 -5.655 10.027 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.174 -4.564 11.116 1.00 0.47 H new ATOM 1177 N VAL A 80 5.442 -13.196 7.765 1.00 0.20 N ATOM 1178 CA VAL A 80 6.267 -14.173 7.086 1.00 0.22 C ATOM 1179 C VAL A 80 7.697 -13.693 6.899 1.00 0.21 C ATOM 1180 O VAL A 80 8.584 -14.477 6.567 1.00 0.27 O ATOM 1181 CB VAL A 80 5.667 -14.497 5.713 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.326 -15.181 5.878 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.529 -13.236 4.869 1.00 0.22 C ATOM 0 H VAL A 80 5.091 -12.457 7.156 1.00 0.20 H new ATOM 0 HA VAL A 80 6.290 -15.063 7.714 1.00 0.22 H new ATOM 0 HB VAL A 80 6.343 -15.176 5.192 1.00 0.23 H new ATOM 0 HG11 VAL A 80 3.909 -15.406 4.896 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.456 -16.107 6.438 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.646 -14.523 6.418 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.101 -13.492 3.900 1.00 0.22 H new ATOM 0 HG22 VAL A 80 4.876 -12.527 5.378 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.511 -12.786 4.725 1.00 0.22 H new ATOM 1193 N GLN A 81 7.917 -12.408 7.102 1.00 0.18 N ATOM 1194 CA GLN A 81 9.223 -11.825 6.861 1.00 0.19 C ATOM 1195 C GLN A 81 9.393 -10.547 7.662 1.00 0.19 C ATOM 1196 O GLN A 81 8.476 -9.729 7.747 1.00 0.26 O ATOM 1197 CB GLN A 81 9.409 -11.552 5.362 1.00 0.23 C ATOM 1198 CG GLN A 81 8.369 -10.607 4.773 1.00 0.23 C ATOM 1199 CD GLN A 81 8.425 -10.528 3.258 1.00 0.37 C ATOM 1200 OE1 GLN A 81 7.643 -11.370 2.593 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.147 -9.713 2.686 1.00 0.50 N flip ATOM 0 H GLN A 81 7.211 -11.750 7.432 1.00 0.18 H new ATOM 0 HA GLN A 81 9.987 -12.532 7.185 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.401 -11.131 5.200 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.372 -12.499 4.823 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.375 -10.935 5.077 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.516 -9.610 5.188 1.00 0.23 H new ATOM 0 HE21 GLN A 81 9.735 -9.082 3.231 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.158 -9.668 1.667 1.00 0.50 H new ATOM 1210 N GLU A 82 10.558 -10.393 8.265 1.00 0.24 N ATOM 1211 CA GLU A 82 10.896 -9.179 8.980 1.00 0.24 C ATOM 1212 C GLU A 82 12.317 -8.769 8.647 1.00 0.25 C ATOM 1213 O GLU A 82 13.239 -9.583 8.694 1.00 0.41 O ATOM 1214 CB GLU A 82 10.749 -9.353 10.495 1.00 0.35 C ATOM 1215 CG GLU A 82 11.290 -8.165 11.279 1.00 0.44 C ATOM 1216 CD GLU A 82 11.048 -8.266 12.768 1.00 0.82 C ATOM 1217 OE1 GLU A 82 11.399 -9.301 13.370 1.00 1.21 O ATOM 1218 OE2 GLU A 82 10.513 -7.295 13.342 1.00 1.34 O ATOM 0 H GLU A 82 11.291 -11.102 8.272 1.00 0.24 H new ATOM 0 HA GLU A 82 10.201 -8.401 8.665 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.696 -9.495 10.740 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.273 -10.257 10.805 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.361 -8.077 11.098 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.828 -7.252 10.905 1.00 0.44 H new ATOM 1225 N GLU A 83 12.477 -7.512 8.293 1.00 0.22 N ATOM 1226 CA GLU A 83 13.773 -6.964 7.975 1.00 0.26 C ATOM 1227 C GLU A 83 13.848 -5.517 8.436 1.00 0.23 C ATOM 1228 O GLU A 83 13.137 -4.644 7.938 1.00 0.24 O ATOM 1229 CB GLU A 83 14.037 -7.145 6.472 1.00 0.39 C ATOM 1230 CG GLU A 83 14.922 -6.099 5.817 1.00 1.20 C ATOM 1231 CD GLU A 83 15.372 -6.539 4.442 1.00 1.73 C ATOM 1232 OE1 GLU A 83 14.619 -6.350 3.472 1.00 2.59 O ATOM 1233 OE2 GLU A 83 16.478 -7.112 4.330 1.00 1.69 O ATOM 0 H GLU A 83 11.711 -6.843 8.218 1.00 0.22 H new ATOM 0 HA GLU A 83 14.564 -7.494 8.506 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.492 -8.124 6.319 1.00 0.39 H new ATOM 0 HB3 GLU A 83 13.078 -7.155 5.954 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.378 -5.157 5.739 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.794 -5.913 6.445 1.00 1.20 H new ATOM 1240 N PRO A 84 14.703 -5.266 9.440 1.00 0.23 N ATOM 1241 CA PRO A 84 14.787 -3.976 10.126 1.00 0.21 C ATOM 1242 C PRO A 84 15.334 -2.861 9.247 1.00 0.19 C ATOM 1243 O PRO A 84 15.175 -1.681 9.563 1.00 0.20 O ATOM 1244 CB PRO A 84 15.740 -4.240 11.304 1.00 0.25 C ATOM 1245 CG PRO A 84 15.875 -5.723 11.388 1.00 0.50 C ATOM 1246 CD PRO A 84 15.662 -6.233 9.995 1.00 0.31 C ATOM 0 HA PRO A 84 13.797 -3.632 10.427 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.708 -3.767 11.138 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.340 -3.830 12.231 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.859 -6.005 11.761 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.141 -6.144 12.075 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.591 -6.255 9.425 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.262 -7.247 9.992 1.00 0.31 H new ATOM 1254 N GLU A 85 15.953 -3.224 8.133 1.00 0.20 N ATOM 1255 CA GLU A 85 16.586 -2.238 7.281 1.00 0.22 C ATOM 1256 C GLU A 85 16.932 -2.813 5.929 1.00 0.24 C ATOM 1257 O GLU A 85 17.763 -3.709 5.795 1.00 0.35 O ATOM 1258 CB GLU A 85 17.827 -1.671 7.963 1.00 0.31 C ATOM 1259 CG GLU A 85 18.446 -0.494 7.242 1.00 0.34 C ATOM 1260 CD GLU A 85 19.371 0.279 8.147 1.00 0.90 C ATOM 1261 OE1 GLU A 85 20.566 -0.071 8.227 1.00 1.30 O ATOM 1262 OE2 GLU A 85 18.892 1.232 8.799 1.00 1.37 O ATOM 0 H GLU A 85 16.028 -4.186 7.803 1.00 0.20 H new ATOM 0 HA GLU A 85 15.875 -1.428 7.117 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.564 -1.365 8.976 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.572 -2.461 8.052 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.998 -0.848 6.371 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.659 0.165 6.875 1.00 0.34 H new ATOM 1269 N LEU A 86 16.244 -2.290 4.947 1.00 0.23 N ATOM 1270 CA LEU A 86 16.456 -2.624 3.568 1.00 0.24 C ATOM 1271 C LEU A 86 16.674 -1.346 2.786 1.00 0.23 C ATOM 1272 O LEU A 86 15.757 -0.543 2.647 1.00 0.25 O ATOM 1273 CB LEU A 86 15.234 -3.351 3.026 1.00 0.26 C ATOM 1274 CG LEU A 86 15.237 -3.579 1.525 1.00 0.33 C ATOM 1275 CD1 LEU A 86 16.393 -4.479 1.113 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.910 -4.169 1.084 1.00 0.38 C ATOM 0 H LEU A 86 15.503 -1.604 5.091 1.00 0.23 H new ATOM 0 HA LEU A 86 17.328 -3.271 3.472 1.00 0.24 H new ATOM 0 HB2 LEU A 86 15.153 -4.317 3.525 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.344 -2.780 3.290 1.00 0.26 H new ATOM 0 HG LEU A 86 15.372 -2.617 1.030 1.00 0.33 H new ATOM 0 HD11 LEU A 86 16.372 -4.627 0.033 1.00 0.38 H new ATOM 0 HD12 LEU A 86 17.336 -4.013 1.398 1.00 0.38 H new ATOM 0 HD13 LEU A 86 16.299 -5.443 1.613 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.923 -4.328 0.006 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.749 -5.121 1.590 1.00 0.38 H new ATOM 0 HD23 LEU A 86 13.103 -3.482 1.339 1.00 0.38 H new ATOM 1288 N VAL A 87 17.888 -1.138 2.312 1.00 0.24 N ATOM 1289 CA VAL A 87 18.191 0.045 1.522 1.00 0.22 C ATOM 1290 C VAL A 87 18.210 -0.331 0.044 1.00 0.21 C ATOM 1291 O VAL A 87 18.927 -1.248 -0.359 1.00 0.28 O ATOM 1292 CB VAL A 87 19.548 0.665 1.911 1.00 0.27 C ATOM 1293 CG1 VAL A 87 19.606 2.136 1.544 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.832 0.469 3.387 1.00 0.94 C ATOM 0 H VAL A 87 18.677 -1.767 2.458 1.00 0.24 H new ATOM 0 HA VAL A 87 17.418 0.788 1.718 1.00 0.22 H new ATOM 0 HB VAL A 87 20.322 0.147 1.344 1.00 0.27 H new ATOM 0 HG11 VAL A 87 20.575 2.545 1.831 1.00 1.00 H new ATOM 0 HG12 VAL A 87 19.469 2.248 0.469 1.00 1.00 H new ATOM 0 HG13 VAL A 87 18.816 2.673 2.069 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.795 0.916 3.635 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.048 0.947 3.975 1.00 0.94 H new ATOM 0 HG23 VAL A 87 19.857 -0.597 3.614 1.00 0.94 H new ATOM 1304 N PHE A 88 17.423 0.370 -0.758 1.00 0.17 N ATOM 1305 CA PHE A 88 17.235 -0.009 -2.156 1.00 0.19 C ATOM 1306 C PHE A 88 17.065 1.210 -3.043 1.00 0.20 C ATOM 1307 O PHE A 88 16.721 2.294 -2.568 1.00 0.23 O ATOM 1308 CB PHE A 88 16.015 -0.913 -2.293 1.00 0.21 C ATOM 1309 CG PHE A 88 14.717 -0.221 -1.998 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.229 -0.154 -0.702 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.973 0.343 -3.022 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.028 0.470 -0.433 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.770 0.964 -2.763 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.294 1.028 -1.468 1.00 0.15 C ATOM 0 H PHE A 88 16.905 1.200 -0.470 1.00 0.17 H new ATOM 0 HA PHE A 88 18.128 -0.545 -2.478 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.982 -1.313 -3.307 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.125 -1.762 -1.619 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.795 -0.595 0.105 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.341 0.295 -4.036 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.661 0.523 0.581 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.201 1.400 -3.571 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.351 1.512 -1.262 1.00 0.15 H new ATOM 1324 N THR A 89 17.284 1.014 -4.329 1.00 0.23 N ATOM 1325 CA THR A 89 17.149 2.083 -5.298 1.00 0.25 C ATOM 1326 C THR A 89 15.677 2.310 -5.639 1.00 0.21 C ATOM 1327 O THR A 89 15.056 1.489 -6.320 1.00 0.22 O ATOM 1328 CB THR A 89 17.922 1.755 -6.587 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.197 1.176 -6.259 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.130 3.009 -7.427 1.00 0.37 C ATOM 0 H THR A 89 17.558 0.117 -4.729 1.00 0.23 H new ATOM 0 HA THR A 89 17.564 2.988 -4.855 1.00 0.25 H new ATOM 0 HB THR A 89 17.336 1.042 -7.166 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.684 0.968 -7.084 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.679 2.753 -8.333 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.162 3.431 -7.696 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.698 3.741 -6.853 1.00 0.37 H new ATOM 1338 N LEU A 90 15.120 3.408 -5.136 1.00 0.19 N ATOM 1339 CA LEU A 90 13.725 3.754 -5.386 1.00 0.16 C ATOM 1340 C LEU A 90 13.471 3.900 -6.880 1.00 0.15 C ATOM 1341 O LEU A 90 14.269 4.499 -7.589 1.00 0.18 O ATOM 1342 CB LEU A 90 13.371 5.066 -4.683 1.00 0.16 C ATOM 1343 CG LEU A 90 11.880 5.317 -4.512 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.219 4.115 -3.857 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.646 6.570 -3.685 1.00 0.60 C ATOM 0 H LEU A 90 15.618 4.077 -4.549 1.00 0.19 H new ATOM 0 HA LEU A 90 13.100 2.952 -4.993 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.841 5.073 -3.700 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.802 5.892 -5.248 1.00 0.16 H new ATOM 0 HG LEU A 90 11.434 5.466 -5.495 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.152 4.306 -3.739 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.364 3.234 -4.483 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.667 3.942 -2.878 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.575 6.736 -3.571 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.100 6.447 -2.702 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.095 7.427 -4.188 1.00 0.60 H new ATOM 1357 N GLY A 91 12.388 3.323 -7.361 1.00 0.20 N ATOM 1358 CA GLY A 91 11.991 3.522 -8.740 1.00 0.23 C ATOM 1359 C GLY A 91 12.733 2.641 -9.705 1.00 0.26 C ATOM 1360 O GLY A 91 12.411 2.601 -10.890 1.00 0.37 O ATOM 0 H GLY A 91 11.771 2.716 -6.821 1.00 0.20 H new ATOM 0 HA2 GLY A 91 10.922 3.332 -8.834 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.155 4.565 -9.011 1.00 0.23 H new ATOM 1364 N ASP A 92 13.703 1.907 -9.203 1.00 0.27 N ATOM 1365 CA ASP A 92 14.520 1.080 -10.063 1.00 0.32 C ATOM 1366 C ASP A 92 14.139 -0.362 -9.844 1.00 0.30 C ATOM 1367 O ASP A 92 14.835 -1.289 -10.265 1.00 0.37 O ATOM 1368 CB ASP A 92 16.012 1.357 -9.817 1.00 0.42 C ATOM 1369 CG ASP A 92 16.925 0.677 -10.824 1.00 0.59 C ATOM 1370 OD1 ASP A 92 16.708 0.845 -12.044 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.876 -0.015 -10.398 1.00 0.82 O ATOM 0 H ASP A 92 13.943 1.866 -8.213 1.00 0.27 H new ATOM 0 HA ASP A 92 14.342 1.318 -11.112 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.185 2.433 -9.849 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.276 1.022 -8.814 1.00 0.42 H new ATOM 1376 N CYS A 93 12.974 -0.529 -9.205 1.00 0.28 N ATOM 1377 CA CYS A 93 12.399 -1.838 -8.961 1.00 0.27 C ATOM 1378 C CYS A 93 13.415 -2.718 -8.260 1.00 0.26 C ATOM 1379 O CYS A 93 13.520 -3.918 -8.532 1.00 0.31 O ATOM 1380 CB CYS A 93 11.959 -2.468 -10.279 1.00 0.38 C ATOM 1381 SG CYS A 93 10.933 -1.380 -11.299 1.00 0.62 S ATOM 0 H CYS A 93 12.412 0.244 -8.847 1.00 0.28 H new ATOM 0 HA CYS A 93 11.523 -1.736 -8.320 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.844 -2.756 -10.847 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.404 -3.382 -10.067 1.00 0.38 H new ATOM 0 HG CYS A 93 10.608 -1.995 -12.397 1.00 0.62 H new ATOM 1387 N ASP A 94 14.145 -2.107 -7.331 1.00 0.27 N ATOM 1388 CA ASP A 94 15.177 -2.802 -6.591 1.00 0.33 C ATOM 1389 C ASP A 94 14.506 -3.671 -5.529 1.00 0.33 C ATOM 1390 O ASP A 94 15.142 -4.422 -4.788 1.00 0.48 O ATOM 1391 CB ASP A 94 16.111 -1.771 -5.951 1.00 0.41 C ATOM 1392 CG ASP A 94 17.443 -2.339 -5.494 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.788 -3.473 -5.887 1.00 0.96 O ATOM 1394 OD2 ASP A 94 18.166 -1.631 -4.763 1.00 1.33 O ATOM 0 H ASP A 94 14.035 -1.125 -7.077 1.00 0.27 H new ATOM 0 HA ASP A 94 15.769 -3.440 -7.248 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.296 -0.971 -6.667 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.607 -1.322 -5.095 1.00 0.41 H new ATOM 1399 N VAL A 95 13.183 -3.544 -5.494 1.00 0.23 N ATOM 1400 CA VAL A 95 12.331 -4.209 -4.519 1.00 0.21 C ATOM 1401 C VAL A 95 11.057 -4.711 -5.172 1.00 0.20 C ATOM 1402 O VAL A 95 11.005 -4.906 -6.387 1.00 0.22 O ATOM 1403 CB VAL A 95 11.934 -3.244 -3.396 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.103 -3.008 -2.477 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.431 -1.931 -3.986 1.00 0.19 C ATOM 0 H VAL A 95 12.665 -2.965 -6.155 1.00 0.23 H new ATOM 0 HA VAL A 95 12.899 -5.045 -4.112 1.00 0.21 H new ATOM 0 HB VAL A 95 11.127 -3.688 -2.814 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.809 -2.321 -1.683 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.418 -3.955 -2.039 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.929 -2.577 -3.042 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.152 -1.253 -3.179 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.219 -1.476 -4.586 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.562 -2.124 -4.615 1.00 0.19 H new ATOM 1415 N ILE A 96 10.021 -4.898 -4.361 1.00 0.19 N ATOM 1416 CA ILE A 96 8.718 -5.229 -4.867 1.00 0.19 C ATOM 1417 C ILE A 96 8.048 -3.937 -5.284 1.00 0.16 C ATOM 1418 O ILE A 96 8.185 -2.916 -4.608 1.00 0.15 O ATOM 1419 CB ILE A 96 7.863 -5.973 -3.817 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.673 -5.117 -2.562 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.518 -7.303 -3.455 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.790 -5.757 -1.512 1.00 0.29 C ATOM 0 H ILE A 96 10.072 -4.823 -3.345 1.00 0.19 H new ATOM 0 HA ILE A 96 8.818 -5.905 -5.716 1.00 0.19 H new ATOM 0 HB ILE A 96 6.881 -6.167 -4.249 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.649 -4.909 -2.124 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.242 -4.158 -2.850 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.908 -7.820 -2.714 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.605 -7.921 -4.349 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.510 -7.120 -3.043 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.703 -5.090 -0.654 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.800 -5.940 -1.931 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.229 -6.702 -1.194 1.00 0.29 H new ATOM 1434 N GLN A 97 7.362 -3.971 -6.403 1.00 0.17 N ATOM 1435 CA GLN A 97 6.827 -2.753 -6.996 1.00 0.17 C ATOM 1436 C GLN A 97 5.881 -2.039 -6.035 1.00 0.16 C ATOM 1437 O GLN A 97 5.798 -0.812 -6.043 1.00 0.16 O ATOM 1438 CB GLN A 97 6.113 -3.038 -8.312 1.00 0.19 C ATOM 1439 CG GLN A 97 6.059 -1.818 -9.213 1.00 0.25 C ATOM 1440 CD GLN A 97 7.399 -1.523 -9.860 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.274 -0.822 -9.148 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.663 -1.963 -10.975 1.00 0.32 N flip ATOM 0 H GLN A 97 7.158 -4.823 -6.925 1.00 0.17 H new ATOM 0 HA GLN A 97 7.675 -2.100 -7.200 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.624 -3.849 -8.832 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.099 -3.380 -8.106 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.310 -1.974 -9.989 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.740 -0.953 -8.632 1.00 0.25 H new ATOM 0 HE21 GLN A 97 6.964 -2.497 -11.491 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.581 -1.794 -11.385 1.00 0.32 H new ATOM 1451 N ALA A 98 5.189 -2.811 -5.200 1.00 0.17 N ATOM 1452 CA ALA A 98 4.318 -2.247 -4.174 1.00 0.18 C ATOM 1453 C ALA A 98 5.096 -1.301 -3.278 1.00 0.17 C ATOM 1454 O ALA A 98 4.648 -0.198 -2.970 1.00 0.20 O ATOM 1455 CB ALA A 98 3.709 -3.361 -3.343 1.00 0.20 C ATOM 0 H ALA A 98 5.215 -3.831 -5.215 1.00 0.17 H new ATOM 0 HA ALA A 98 3.521 -1.687 -4.664 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.060 -2.932 -2.579 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.126 -4.018 -3.988 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.503 -3.934 -2.864 1.00 0.20 H new ATOM 1461 N LEU A 99 6.285 -1.734 -2.896 1.00 0.17 N ATOM 1462 CA LEU A 99 7.130 -0.951 -2.008 1.00 0.17 C ATOM 1463 C LEU A 99 7.764 0.204 -2.758 1.00 0.15 C ATOM 1464 O LEU A 99 7.891 1.310 -2.239 1.00 0.15 O ATOM 1465 CB LEU A 99 8.234 -1.802 -1.395 1.00 0.19 C ATOM 1466 CG LEU A 99 9.144 -1.037 -0.427 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.335 -0.443 0.718 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.251 -1.926 0.108 1.00 0.22 C ATOM 0 H LEU A 99 6.688 -2.625 -3.187 1.00 0.17 H new ATOM 0 HA LEU A 99 6.492 -0.570 -1.210 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.781 -2.641 -0.866 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.843 -2.221 -2.196 1.00 0.19 H new ATOM 0 HG LEU A 99 9.608 -0.222 -0.982 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.001 0.095 1.393 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.590 0.245 0.318 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.835 -1.243 1.264 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.879 -1.354 0.791 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.814 -2.772 0.639 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.857 -2.292 -0.721 1.00 0.22 H new ATOM 1480 N ASP A 100 8.135 -0.071 -3.993 1.00 0.15 N ATOM 1481 CA ASP A 100 8.849 0.881 -4.822 1.00 0.16 C ATOM 1482 C ASP A 100 7.998 2.121 -5.034 1.00 0.15 C ATOM 1483 O ASP A 100 8.507 3.225 -5.217 1.00 0.16 O ATOM 1484 CB ASP A 100 9.188 0.215 -6.157 1.00 0.17 C ATOM 1485 CG ASP A 100 9.976 1.103 -7.098 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.362 1.923 -7.819 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.214 0.962 -7.137 1.00 0.21 O ATOM 0 H ASP A 100 7.949 -0.963 -4.451 1.00 0.15 H new ATOM 0 HA ASP A 100 9.773 1.187 -4.332 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.759 -0.693 -5.965 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.263 -0.088 -6.647 1.00 0.17 H new ATOM 1492 N LEU A 101 6.690 1.916 -5.021 1.00 0.16 N ATOM 1493 CA LEU A 101 5.733 2.997 -5.128 1.00 0.16 C ATOM 1494 C LEU A 101 5.337 3.550 -3.755 1.00 0.15 C ATOM 1495 O LEU A 101 5.127 4.753 -3.598 1.00 0.16 O ATOM 1496 CB LEU A 101 4.493 2.495 -5.863 1.00 0.19 C ATOM 1497 CG LEU A 101 4.752 1.880 -7.243 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.450 1.402 -7.865 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.460 2.865 -8.163 1.00 0.25 C ATOM 0 H LEU A 101 6.265 0.993 -4.936 1.00 0.16 H new ATOM 0 HA LEU A 101 6.199 3.810 -5.684 1.00 0.16 H new ATOM 0 HB2 LEU A 101 3.998 1.751 -5.239 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.798 3.327 -5.979 1.00 0.19 H new ATOM 0 HG LEU A 101 5.409 1.020 -7.110 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.652 0.968 -8.844 1.00 0.25 H new ATOM 0 HD12 LEU A 101 2.994 0.649 -7.222 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.768 2.245 -7.976 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.629 2.399 -9.134 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.841 3.753 -8.290 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.417 3.149 -7.725 1.00 0.25 H new ATOM 1511 N SER A 102 5.243 2.671 -2.762 1.00 0.15 N ATOM 1512 CA SER A 102 4.751 3.051 -1.447 1.00 0.17 C ATOM 1513 C SER A 102 5.688 4.046 -0.775 1.00 0.15 C ATOM 1514 O SER A 102 5.248 4.890 -0.005 1.00 0.18 O ATOM 1515 CB SER A 102 4.579 1.814 -0.567 1.00 0.23 C ATOM 1516 OG SER A 102 4.092 2.160 0.717 1.00 1.01 O ATOM 0 H SER A 102 5.503 1.688 -2.846 1.00 0.15 H new ATOM 0 HA SER A 102 3.782 3.532 -1.577 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.889 1.118 -1.045 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.535 1.299 -0.469 1.00 0.23 H new ATOM 0 HG SER A 102 4.823 2.529 1.256 1.00 1.01 H new ATOM 1522 N VAL A 103 6.973 3.944 -1.078 1.00 0.15 N ATOM 1523 CA VAL A 103 7.973 4.838 -0.507 1.00 0.16 C ATOM 1524 C VAL A 103 7.776 6.282 -0.968 1.00 0.16 C ATOM 1525 O VAL A 103 7.715 7.176 -0.143 1.00 0.18 O ATOM 1526 CB VAL A 103 9.383 4.381 -0.862 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.429 5.386 -0.392 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.643 3.019 -0.263 1.00 0.19 C ATOM 0 H VAL A 103 7.351 3.247 -1.720 1.00 0.15 H new ATOM 0 HA VAL A 103 7.844 4.801 0.575 1.00 0.16 H new ATOM 0 HB VAL A 103 9.461 4.315 -1.947 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.423 5.029 -0.661 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.248 6.349 -0.869 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.365 5.499 0.690 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.652 2.696 -0.519 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.543 3.073 0.821 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.922 2.304 -0.658 1.00 0.19 H new ATOM 1538 N PRO A 104 7.703 6.541 -2.291 1.00 0.17 N ATOM 1539 CA PRO A 104 7.328 7.864 -2.805 1.00 0.21 C ATOM 1540 C PRO A 104 6.021 8.378 -2.210 1.00 0.19 C ATOM 1541 O PRO A 104 5.800 9.585 -2.112 1.00 0.22 O ATOM 1542 CB PRO A 104 7.109 7.612 -4.294 1.00 0.27 C ATOM 1543 CG PRO A 104 7.944 6.433 -4.639 1.00 0.21 C ATOM 1544 CD PRO A 104 8.108 5.625 -3.379 1.00 0.17 C ATOM 0 HA PRO A 104 8.088 8.608 -2.565 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.057 7.420 -4.506 1.00 0.27 H new ATOM 0 HB3 PRO A 104 7.400 8.482 -4.883 1.00 0.27 H new ATOM 0 HG2 PRO A 104 7.468 5.839 -5.419 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.914 6.747 -5.025 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.484 4.731 -3.397 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.138 5.292 -3.253 1.00 0.17 H new ATOM 1552 N LEU A 105 5.152 7.453 -1.847 1.00 0.18 N ATOM 1553 CA LEU A 105 3.880 7.792 -1.231 1.00 0.19 C ATOM 1554 C LEU A 105 4.024 7.964 0.278 1.00 0.22 C ATOM 1555 O LEU A 105 3.106 8.419 0.960 1.00 0.32 O ATOM 1556 CB LEU A 105 2.872 6.705 -1.552 1.00 0.18 C ATOM 1557 CG LEU A 105 2.055 6.934 -2.827 1.00 0.25 C ATOM 1558 CD1 LEU A 105 2.949 7.077 -4.052 1.00 0.53 C ATOM 1559 CD2 LEU A 105 1.073 5.803 -3.029 1.00 0.64 C ATOM 0 H LEU A 105 5.305 6.452 -1.969 1.00 0.18 H new ATOM 0 HA LEU A 105 3.533 8.744 -1.633 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.401 5.756 -1.643 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.185 6.608 -0.711 1.00 0.18 H new ATOM 0 HG LEU A 105 1.508 7.869 -2.705 1.00 0.25 H new ATOM 0 HD11 LEU A 105 2.332 7.238 -4.936 1.00 0.53 H new ATOM 0 HD12 LEU A 105 3.618 7.927 -3.917 1.00 0.53 H new ATOM 0 HD13 LEU A 105 3.538 6.169 -4.181 1.00 0.53 H new ATOM 0 HD21 LEU A 105 0.499 5.978 -3.939 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.615 4.862 -3.118 1.00 0.64 H new ATOM 0 HD23 LEU A 105 0.396 5.752 -2.176 1.00 0.64 H new ATOM 1571 N MET A 106 5.170 7.555 0.784 1.00 0.20 N ATOM 1572 CA MET A 106 5.520 7.700 2.186 1.00 0.24 C ATOM 1573 C MET A 106 6.446 8.896 2.390 1.00 0.21 C ATOM 1574 O MET A 106 7.312 9.169 1.564 1.00 0.26 O ATOM 1575 CB MET A 106 6.218 6.419 2.661 1.00 0.33 C ATOM 1576 CG MET A 106 5.372 5.530 3.543 1.00 0.53 C ATOM 1577 SD MET A 106 5.702 3.777 3.280 1.00 0.78 S ATOM 1578 CE MET A 106 7.401 3.679 3.824 1.00 0.54 C ATOM 0 H MET A 106 5.896 7.106 0.226 1.00 0.20 H new ATOM 0 HA MET A 106 4.611 7.867 2.764 1.00 0.24 H new ATOM 0 HB2 MET A 106 6.533 5.848 1.788 1.00 0.33 H new ATOM 0 HB3 MET A 106 7.122 6.694 3.205 1.00 0.33 H new ATOM 0 HG2 MET A 106 5.558 5.778 4.588 1.00 0.53 H new ATOM 0 HG3 MET A 106 4.318 5.730 3.350 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.685 2.633 3.945 1.00 0.54 H new ATOM 0 HE2 MET A 106 8.048 4.147 3.082 1.00 0.54 H new ATOM 0 HE3 MET A 106 7.508 4.196 4.777 1.00 0.54 H new ATOM 1588 N ASP A 107 6.262 9.620 3.482 1.00 0.18 N ATOM 1589 CA ASP A 107 7.198 10.676 3.844 1.00 0.18 C ATOM 1590 C ASP A 107 8.292 10.083 4.708 1.00 0.14 C ATOM 1591 O ASP A 107 8.100 9.032 5.328 1.00 0.13 O ATOM 1592 CB ASP A 107 6.502 11.824 4.590 1.00 0.25 C ATOM 1593 CG ASP A 107 6.198 13.011 3.695 1.00 0.56 C ATOM 1594 OD1 ASP A 107 7.084 13.880 3.523 1.00 0.97 O ATOM 1595 OD2 ASP A 107 5.072 13.086 3.159 1.00 0.92 O ATOM 0 H ASP A 107 5.482 9.499 4.128 1.00 0.18 H new ATOM 0 HA ASP A 107 7.621 11.093 2.930 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.573 11.457 5.026 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.134 12.150 5.416 1.00 0.25 H new ATOM 1600 N VAL A 108 9.445 10.725 4.750 1.00 0.16 N ATOM 1601 CA VAL A 108 10.548 10.174 5.508 1.00 0.16 C ATOM 1602 C VAL A 108 10.221 10.171 7.003 1.00 0.15 C ATOM 1603 O VAL A 108 9.806 11.176 7.581 1.00 0.19 O ATOM 1604 CB VAL A 108 11.887 10.915 5.239 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.061 12.149 6.116 1.00 0.68 C ATOM 1606 CG2 VAL A 108 13.064 9.965 5.415 1.00 0.80 C ATOM 0 H VAL A 108 9.638 11.609 4.279 1.00 0.16 H new ATOM 0 HA VAL A 108 10.685 9.146 5.172 1.00 0.16 H new ATOM 0 HB VAL A 108 11.857 11.263 4.206 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.013 12.627 5.886 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.248 12.849 5.925 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.047 11.854 7.165 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.995 10.499 5.223 1.00 0.80 H new ATOM 0 HG22 VAL A 108 13.071 9.579 6.434 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.970 9.136 4.714 1.00 0.80 H new ATOM 1616 N GLY A 109 10.353 9.013 7.604 1.00 0.15 N ATOM 1617 CA GLY A 109 10.167 8.888 9.029 1.00 0.17 C ATOM 1618 C GLY A 109 8.837 8.260 9.380 1.00 0.18 C ATOM 1619 O GLY A 109 8.544 8.032 10.554 1.00 0.28 O ATOM 0 H GLY A 109 10.589 8.143 7.127 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.973 8.285 9.447 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.234 9.873 9.490 1.00 0.17 H new ATOM 1623 N GLU A 110 8.023 7.961 8.374 1.00 0.13 N ATOM 1624 CA GLU A 110 6.713 7.404 8.635 1.00 0.13 C ATOM 1625 C GLU A 110 6.733 5.896 8.512 1.00 0.10 C ATOM 1626 O GLU A 110 7.706 5.299 8.038 1.00 0.12 O ATOM 1627 CB GLU A 110 5.640 7.993 7.715 1.00 0.17 C ATOM 1628 CG GLU A 110 5.585 7.427 6.310 1.00 0.20 C ATOM 1629 CD GLU A 110 4.332 7.860 5.562 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.235 9.046 5.195 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.449 7.005 5.310 1.00 0.39 O ATOM 0 H GLU A 110 8.247 8.094 7.388 1.00 0.13 H new ATOM 0 HA GLU A 110 6.455 7.674 9.659 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.667 7.845 8.183 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.800 9.069 7.646 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.466 7.750 5.756 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.619 6.339 6.357 1.00 0.20 H new ATOM 1638 N THR A 111 5.662 5.284 8.965 1.00 0.10 N ATOM 1639 CA THR A 111 5.515 3.863 8.873 1.00 0.11 C ATOM 1640 C THR A 111 4.160 3.562 8.274 1.00 0.11 C ATOM 1641 O THR A 111 3.120 3.929 8.833 1.00 0.12 O ATOM 1642 CB THR A 111 5.665 3.195 10.250 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.821 3.729 10.914 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.823 1.694 10.107 1.00 0.19 C ATOM 0 H THR A 111 4.875 5.762 9.405 1.00 0.10 H new ATOM 0 HA THR A 111 6.301 3.457 8.236 1.00 0.11 H new ATOM 0 HB THR A 111 4.767 3.398 10.833 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.918 3.306 11.793 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.927 1.243 11.094 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.945 1.281 9.611 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.711 1.477 9.513 1.00 0.19 H new ATOM 1652 N ALA A 112 4.170 2.941 7.115 1.00 0.12 N ATOM 1653 CA ALA A 112 2.950 2.671 6.403 1.00 0.13 C ATOM 1654 C ALA A 112 2.718 1.178 6.305 1.00 0.12 C ATOM 1655 O ALA A 112 3.638 0.408 6.030 1.00 0.13 O ATOM 1656 CB ALA A 112 3.001 3.314 5.026 1.00 0.18 C ATOM 0 H ALA A 112 5.016 2.614 6.648 1.00 0.12 H new ATOM 0 HA ALA A 112 2.112 3.103 6.950 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.074 3.105 4.492 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.124 4.392 5.132 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.842 2.906 4.465 1.00 0.18 H new ATOM 1662 N MET A 113 1.493 0.772 6.562 1.00 0.12 N ATOM 1663 CA MET A 113 1.102 -0.606 6.379 1.00 0.12 C ATOM 1664 C MET A 113 0.431 -0.702 5.032 1.00 0.12 C ATOM 1665 O MET A 113 -0.589 -0.060 4.798 1.00 0.14 O ATOM 1666 CB MET A 113 0.142 -1.056 7.485 1.00 0.16 C ATOM 1667 CG MET A 113 -0.678 -2.285 7.113 1.00 0.25 C ATOM 1668 SD MET A 113 -1.869 -2.744 8.383 1.00 0.53 S ATOM 1669 CE MET A 113 -0.837 -3.742 9.447 1.00 1.32 C ATOM 0 H MET A 113 0.748 1.382 6.900 1.00 0.12 H new ATOM 0 HA MET A 113 1.975 -1.257 6.428 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.714 -1.270 8.388 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.535 -0.236 7.724 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.206 -2.094 6.179 1.00 0.25 H new ATOM 0 HG3 MET A 113 -0.005 -3.123 6.933 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.427 -4.106 10.288 1.00 1.32 H new ATOM 0 HE2 MET A 113 -0.446 -4.589 8.884 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.008 -3.140 9.819 1.00 1.32 H new ATOM 1679 N VAL A 114 1.018 -1.463 4.144 1.00 0.12 N ATOM 1680 CA VAL A 114 0.509 -1.570 2.797 1.00 0.12 C ATOM 1681 C VAL A 114 0.004 -2.964 2.559 1.00 0.13 C ATOM 1682 O VAL A 114 0.688 -3.938 2.867 1.00 0.16 O ATOM 1683 CB VAL A 114 1.609 -1.276 1.763 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.031 -0.926 0.403 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.521 -0.183 2.269 1.00 0.17 C ATOM 0 H VAL A 114 1.852 -2.020 4.329 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.294 -0.842 2.685 1.00 0.12 H new ATOM 0 HB VAL A 114 2.196 -2.185 1.630 1.00 0.15 H new ATOM 0 HG11 VAL A 114 1.842 -0.726 -0.297 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.433 -1.760 0.036 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.402 -0.040 0.492 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.296 0.016 1.529 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.941 0.724 2.441 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.985 -0.500 3.203 1.00 0.17 H new ATOM 1695 N THR A 115 -1.189 -3.078 2.037 1.00 0.14 N ATOM 1696 CA THR A 115 -1.649 -4.354 1.605 1.00 0.14 C ATOM 1697 C THR A 115 -1.612 -4.379 0.097 1.00 0.13 C ATOM 1698 O THR A 115 -2.336 -3.646 -0.578 1.00 0.16 O ATOM 1699 CB THR A 115 -3.044 -4.685 2.139 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.013 -4.708 3.563 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.480 -6.038 1.643 1.00 0.20 C ATOM 0 H THR A 115 -1.846 -2.309 1.905 1.00 0.14 H new ATOM 0 HA THR A 115 -0.993 -5.125 2.009 1.00 0.14 H new ATOM 0 HB THR A 115 -3.744 -3.926 1.790 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.548 -3.966 3.914 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.474 -6.264 2.029 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.506 -6.035 0.553 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.776 -6.796 1.987 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.724 -5.199 -0.399 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.464 -5.317 -1.814 1.00 0.13 C ATOM 1711 C ALA A 116 -0.613 -6.753 -2.226 1.00 0.12 C ATOM 1712 O ALA A 116 -0.117 -7.651 -1.543 1.00 0.13 O ATOM 1713 CB ALA A 116 0.932 -4.823 -2.124 1.00 0.15 C ATOM 0 H ALA A 116 -0.150 -5.815 0.176 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.178 -4.709 -2.370 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.121 -4.915 -3.193 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.022 -3.778 -1.828 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.660 -5.420 -1.574 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.314 -6.976 -3.317 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.433 -8.304 -3.867 1.00 0.13 C ATOM 1721 C ASP A 117 -0.043 -8.888 -4.047 1.00 0.11 C ATOM 1722 O ASP A 117 0.903 -8.154 -4.339 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.138 -8.275 -5.210 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.621 -9.648 -5.621 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.783 -10.466 -6.059 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.833 -9.909 -5.544 1.00 0.58 O ATOM 0 H ASP A 117 -1.809 -6.253 -3.839 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.020 -8.915 -3.182 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -2.985 -7.591 -5.161 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.459 -7.887 -5.969 1.00 0.16 H new ATOM 1731 N SER A 118 0.083 -10.185 -3.858 1.00 0.13 N ATOM 1732 CA SER A 118 1.358 -10.860 -4.003 1.00 0.16 C ATOM 1733 C SER A 118 1.976 -10.531 -5.363 1.00 0.13 C ATOM 1734 O SER A 118 3.188 -10.485 -5.508 1.00 0.15 O ATOM 1735 CB SER A 118 1.162 -12.365 -3.850 1.00 0.27 C ATOM 1736 OG SER A 118 2.340 -13.004 -3.392 1.00 0.82 O ATOM 0 H SER A 118 -0.690 -10.799 -3.601 1.00 0.13 H new ATOM 0 HA SER A 118 2.040 -10.515 -3.226 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.349 -12.557 -3.150 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.865 -12.792 -4.808 1.00 0.27 H new ATOM 0 HG SER A 118 2.156 -13.953 -3.230 1.00 0.82 H new ATOM 1742 N LYS A 119 1.142 -10.271 -6.353 1.00 0.13 N ATOM 1743 CA LYS A 119 1.624 -9.871 -7.669 1.00 0.14 C ATOM 1744 C LYS A 119 2.514 -8.618 -7.606 1.00 0.14 C ATOM 1745 O LYS A 119 3.379 -8.435 -8.459 1.00 0.18 O ATOM 1746 CB LYS A 119 0.456 -9.634 -8.615 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.611 -8.718 -8.065 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.699 -8.463 -9.088 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.387 -9.748 -9.524 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.249 -10.330 -8.461 1.00 0.81 N ATOM 0 H LYS A 119 0.127 -10.329 -6.274 1.00 0.13 H new ATOM 0 HA LYS A 119 2.236 -10.690 -8.048 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.837 -9.212 -9.545 1.00 0.17 H new ATOM 0 HB3 LYS A 119 0.003 -10.594 -8.862 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.047 -9.161 -7.170 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.161 -7.771 -7.766 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.438 -7.781 -8.668 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.268 -7.969 -9.959 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.993 -9.548 -10.408 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -1.632 -10.479 -9.814 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -3.808 -11.112 -8.857 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -2.653 -10.688 -7.688 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.890 -9.598 -8.094 1.00 0.81 H new ATOM 1764 N TYR A 120 2.309 -7.763 -6.600 1.00 0.13 N ATOM 1765 CA TYR A 120 3.173 -6.599 -6.408 1.00 0.15 C ATOM 1766 C TYR A 120 4.200 -6.890 -5.332 1.00 0.15 C ATOM 1767 O TYR A 120 5.033 -6.048 -4.999 1.00 0.19 O ATOM 1768 CB TYR A 120 2.357 -5.364 -6.026 1.00 0.16 C ATOM 1769 CG TYR A 120 1.341 -4.980 -7.060 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.667 -4.106 -8.082 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.060 -5.505 -7.018 1.00 0.23 C ATOM 1772 CE1 TYR A 120 0.737 -3.766 -9.043 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.875 -5.170 -7.969 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.535 -4.302 -8.982 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.467 -3.973 -9.940 1.00 0.42 O ATOM 0 H TYR A 120 1.560 -7.854 -5.914 1.00 0.13 H new ATOM 0 HA TYR A 120 3.681 -6.394 -7.350 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.849 -5.551 -5.080 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.034 -4.526 -5.864 1.00 0.16 H new ATOM 0 HD1 TYR A 120 2.661 -3.685 -8.128 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.209 -6.188 -6.226 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.002 -3.085 -9.838 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.871 -5.586 -7.921 1.00 0.30 H new ATOM 0 HH TYR A 120 -2.327 -3.786 -9.509 1.00 0.42 H new ATOM 1785 N CYS A 121 4.130 -8.097 -4.814 1.00 0.14 N ATOM 1786 CA CYS A 121 5.003 -8.531 -3.750 1.00 0.15 C ATOM 1787 C CYS A 121 5.825 -9.734 -4.207 1.00 0.16 C ATOM 1788 O CYS A 121 6.881 -9.569 -4.808 1.00 0.18 O ATOM 1789 CB CYS A 121 4.178 -8.870 -2.508 1.00 0.14 C ATOM 1790 SG CYS A 121 3.140 -7.513 -1.911 1.00 0.16 S ATOM 0 H CYS A 121 3.464 -8.805 -5.121 1.00 0.14 H new ATOM 0 HA CYS A 121 5.692 -7.726 -3.495 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.543 -9.727 -2.731 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.854 -9.174 -1.709 1.00 0.14 H new ATOM 0 HG CYS A 121 1.898 -7.895 -1.886 1.00 0.16 H new ATOM 1796 N TYR A 122 5.333 -10.949 -3.959 1.00 0.16 N ATOM 1797 CA TYR A 122 6.047 -12.144 -4.392 1.00 0.18 C ATOM 1798 C TYR A 122 5.086 -13.234 -4.883 1.00 0.18 C ATOM 1799 O TYR A 122 5.271 -14.393 -4.543 1.00 0.20 O ATOM 1800 CB TYR A 122 6.889 -12.721 -3.248 1.00 0.19 C ATOM 1801 CG TYR A 122 7.651 -11.699 -2.424 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.920 -11.285 -2.802 1.00 0.21 C ATOM 1803 CD2 TYR A 122 7.106 -11.169 -1.261 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.624 -10.364 -2.049 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.803 -10.250 -0.506 1.00 0.20 C ATOM 1806 CZ TYR A 122 9.063 -9.853 -0.901 1.00 0.22 C ATOM 1807 OH TYR A 122 9.762 -8.937 -0.141 1.00 0.24 O ATOM 0 H TYR A 122 4.457 -11.127 -3.468 1.00 0.16 H new ATOM 0 HA TYR A 122 6.693 -11.840 -5.216 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.233 -13.283 -2.583 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.602 -13.431 -3.666 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.365 -11.689 -3.699 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.122 -11.482 -0.944 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.609 -10.047 -2.360 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.363 -9.842 0.392 1.00 0.20 H new ATOM 0 HH TYR A 122 9.190 -8.164 0.047 1.00 0.24 H new ATOM 1817 N GLY A 123 4.075 -12.858 -5.676 1.00 0.19 N ATOM 1818 CA GLY A 123 3.105 -13.823 -6.194 1.00 0.21 C ATOM 1819 C GLY A 123 3.735 -15.052 -6.826 1.00 0.21 C ATOM 1820 O GLY A 123 3.946 -16.054 -6.154 1.00 0.25 O ATOM 0 H GLY A 123 3.910 -11.895 -5.970 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.452 -14.139 -5.380 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.475 -13.329 -6.934 1.00 0.21 H new ATOM 1824 N PRO A 124 4.018 -15.022 -8.134 1.00 0.25 N ATOM 1825 CA PRO A 124 4.738 -16.095 -8.807 1.00 0.30 C ATOM 1826 C PRO A 124 6.242 -15.909 -8.660 1.00 0.30 C ATOM 1827 O PRO A 124 7.039 -16.513 -9.376 1.00 0.34 O ATOM 1828 CB PRO A 124 4.313 -15.953 -10.276 1.00 0.37 C ATOM 1829 CG PRO A 124 3.415 -14.752 -10.340 1.00 0.58 C ATOM 1830 CD PRO A 124 3.642 -13.971 -9.077 1.00 0.32 C ATOM 0 HA PRO A 124 4.514 -17.079 -8.395 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.182 -15.824 -10.921 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.792 -16.847 -10.618 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.644 -14.145 -11.216 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.371 -15.054 -10.425 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.430 -13.226 -9.194 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.745 -13.439 -8.759 1.00 0.32 H new ATOM 1838 N GLN A 125 6.616 -15.046 -7.726 1.00 0.27 N ATOM 1839 CA GLN A 125 8.005 -14.692 -7.513 1.00 0.30 C ATOM 1840 C GLN A 125 8.524 -15.387 -6.269 1.00 0.32 C ATOM 1841 O GLN A 125 9.625 -15.931 -6.253 1.00 0.39 O ATOM 1842 CB GLN A 125 8.126 -13.178 -7.355 1.00 0.30 C ATOM 1843 CG GLN A 125 7.383 -12.409 -8.433 1.00 0.33 C ATOM 1844 CD GLN A 125 7.323 -10.924 -8.154 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.183 -10.164 -8.586 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.293 -10.506 -7.434 1.00 0.29 N ATOM 0 H GLN A 125 5.965 -14.575 -7.098 1.00 0.27 H new ATOM 0 HA GLN A 125 8.598 -15.011 -8.370 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.740 -12.888 -6.378 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.179 -12.899 -7.377 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.871 -12.575 -9.394 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.369 -12.800 -8.519 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.602 -11.176 -7.096 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.191 -9.514 -7.218 1.00 0.29 H new ATOM 1855 N GLY A 126 7.691 -15.366 -5.234 1.00 0.27 N ATOM 1856 CA GLY A 126 8.039 -15.939 -3.960 1.00 0.27 C ATOM 1857 C GLY A 126 8.998 -15.079 -3.179 1.00 0.28 C ATOM 1858 O GLY A 126 9.871 -14.417 -3.738 1.00 0.30 O ATOM 0 H GLY A 126 6.760 -14.950 -5.265 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.132 -16.090 -3.374 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.484 -16.922 -4.117 1.00 0.27 H new ATOM 1862 N SER A 127 8.828 -15.085 -1.875 1.00 0.27 N ATOM 1863 CA SER A 127 9.632 -14.258 -1.007 1.00 0.28 C ATOM 1864 C SER A 127 10.867 -15.008 -0.513 1.00 0.32 C ATOM 1865 O SER A 127 10.918 -16.237 -0.560 1.00 0.33 O ATOM 1866 CB SER A 127 8.770 -13.737 0.155 1.00 0.27 C ATOM 1867 OG SER A 127 9.553 -13.153 1.184 1.00 0.30 O ATOM 0 H SER A 127 8.136 -15.657 -1.392 1.00 0.27 H new ATOM 0 HA SER A 127 9.997 -13.400 -1.572 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.062 -13.000 -0.223 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.185 -14.559 0.568 1.00 0.27 H new ATOM 0 HG SER A 127 8.987 -12.575 1.738 1.00 0.30 H new ATOM 1873 N ARG A 128 11.864 -14.237 -0.067 1.00 0.38 N ATOM 1874 CA ARG A 128 13.174 -14.771 0.309 1.00 0.42 C ATOM 1875 C ARG A 128 13.036 -15.900 1.319 1.00 0.42 C ATOM 1876 O ARG A 128 13.510 -17.012 1.091 1.00 0.52 O ATOM 1877 CB ARG A 128 14.049 -13.674 0.919 1.00 0.52 C ATOM 1878 CG ARG A 128 13.943 -12.325 0.229 1.00 1.12 C ATOM 1879 CD ARG A 128 14.796 -11.291 0.944 1.00 1.41 C ATOM 1880 NE ARG A 128 14.383 -9.919 0.653 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.610 -8.894 1.479 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.287 -9.090 2.602 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.173 -7.677 1.187 1.00 3.17 N ATOM 0 H ARG A 128 11.784 -13.226 0.043 1.00 0.38 H new ATOM 0 HA ARG A 128 13.640 -15.154 -0.599 1.00 0.42 H new ATOM 0 HB2 ARG A 128 13.779 -13.553 1.968 1.00 0.52 H new ATOM 0 HB3 ARG A 128 15.089 -14.000 0.893 1.00 0.52 H new ATOM 0 HG2 ARG A 128 14.264 -12.415 -0.809 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.903 -11.999 0.214 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.742 -11.462 2.019 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.838 -11.422 0.653 1.00 1.41 H new ATOM 0 HE ARG A 128 13.897 -9.735 -0.225 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.633 -10.021 2.833 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.462 -8.309 3.235 1.00 2.45 H new ATOM 0 HH21 ARG A 128 13.656 -7.514 0.323 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.353 -6.903 1.827 1.00 3.17 H new ATOM 1897 N SER A 129 12.394 -15.599 2.436 1.00 0.42 N ATOM 1898 CA SER A 129 12.166 -16.599 3.456 1.00 0.44 C ATOM 1899 C SER A 129 11.062 -17.566 3.023 1.00 0.41 C ATOM 1900 O SER A 129 11.331 -18.754 2.839 1.00 0.44 O ATOM 1901 CB SER A 129 11.859 -15.938 4.797 1.00 0.48 C ATOM 1902 OG SER A 129 12.921 -15.088 5.192 1.00 1.23 O ATOM 0 H SER A 129 12.025 -14.674 2.655 1.00 0.42 H new ATOM 0 HA SER A 129 13.076 -17.185 3.586 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.936 -15.363 4.722 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.697 -16.703 5.556 1.00 0.48 H new ATOM 0 HG SER A 129 12.705 -14.672 6.053 1.00 1.23 H new ATOM 1908 N PRO A 130 9.799 -17.112 2.846 1.00 0.37 N ATOM 1909 CA PRO A 130 8.753 -17.952 2.321 1.00 0.36 C ATOM 1910 C PRO A 130 8.390 -17.588 0.887 1.00 0.32 C ATOM 1911 O PRO A 130 8.076 -16.442 0.602 1.00 0.27 O ATOM 1912 CB PRO A 130 7.576 -17.588 3.238 1.00 0.37 C ATOM 1913 CG PRO A 130 7.935 -16.255 3.850 1.00 0.37 C ATOM 1914 CD PRO A 130 9.225 -15.818 3.202 1.00 0.37 C ATOM 0 HA PRO A 130 9.030 -19.006 2.301 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.645 -17.523 2.674 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.430 -18.346 4.008 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.146 -15.523 3.675 1.00 0.37 H new ATOM 0 HG3 PRO A 130 8.054 -16.344 4.930 1.00 0.37 H new ATOM 0 HD2 PRO A 130 9.057 -15.186 2.330 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.862 -15.256 3.885 1.00 0.37 H new ATOM 1922 N TYR A 131 8.418 -18.548 -0.014 1.00 0.33 N ATOM 1923 CA TYR A 131 7.803 -18.355 -1.314 1.00 0.32 C ATOM 1924 C TYR A 131 6.331 -18.045 -1.100 1.00 0.30 C ATOM 1925 O TYR A 131 5.524 -18.946 -0.851 1.00 0.32 O ATOM 1926 CB TYR A 131 7.982 -19.595 -2.200 1.00 0.36 C ATOM 1927 CG TYR A 131 7.419 -19.449 -3.601 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.059 -19.605 -3.849 1.00 0.78 C ATOM 1929 CD2 TYR A 131 8.249 -19.152 -4.674 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.544 -19.470 -5.124 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.740 -19.016 -5.953 1.00 1.14 C ATOM 1932 CZ TYR A 131 6.387 -19.171 -6.172 1.00 0.81 C ATOM 1933 OH TYR A 131 5.878 -19.029 -7.445 1.00 1.00 O ATOM 0 H TYR A 131 8.854 -19.460 0.125 1.00 0.33 H new ATOM 0 HA TYR A 131 8.285 -17.525 -1.831 1.00 0.32 H new ATOM 0 HB2 TYR A 131 9.045 -19.826 -2.271 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.502 -20.445 -1.715 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.394 -19.836 -3.030 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.308 -19.025 -4.507 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.486 -19.598 -5.298 1.00 0.87 H new ATOM 0 HE2 TYR A 131 8.400 -18.789 -6.777 1.00 1.14 H new ATOM 0 HH TYR A 131 6.606 -18.818 -8.067 1.00 1.00 H new ATOM 1943 N ILE A 132 6.009 -16.759 -1.132 1.00 0.27 N ATOM 1944 CA ILE A 132 4.660 -16.305 -0.877 1.00 0.26 C ATOM 1945 C ILE A 132 3.729 -16.796 -1.983 1.00 0.25 C ATOM 1946 O ILE A 132 4.063 -16.694 -3.158 1.00 0.25 O ATOM 1947 CB ILE A 132 4.587 -14.760 -0.803 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.620 -14.186 0.166 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.193 -14.322 -0.399 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.563 -14.761 1.552 1.00 0.23 C ATOM 0 H ILE A 132 6.673 -16.012 -1.334 1.00 0.27 H new ATOM 0 HA ILE A 132 4.349 -16.713 0.085 1.00 0.26 H new ATOM 0 HB ILE A 132 4.816 -14.372 -1.796 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.616 -14.355 -0.243 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.480 -13.107 0.228 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.153 -13.234 -0.350 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.472 -14.679 -1.135 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.950 -14.738 0.579 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.331 -14.296 2.171 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.582 -14.568 1.986 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.735 -15.836 1.507 1.00 0.23 H new ATOM 1962 N PRO A 133 2.570 -17.369 -1.616 1.00 0.27 N ATOM 1963 CA PRO A 133 1.584 -17.853 -2.587 1.00 0.28 C ATOM 1964 C PRO A 133 1.169 -16.773 -3.584 1.00 0.26 C ATOM 1965 O PRO A 133 1.022 -15.599 -3.226 1.00 0.26 O ATOM 1966 CB PRO A 133 0.389 -18.259 -1.718 1.00 0.34 C ATOM 1967 CG PRO A 133 0.967 -18.526 -0.372 1.00 0.61 C ATOM 1968 CD PRO A 133 2.135 -17.596 -0.228 1.00 0.31 C ATOM 0 HA PRO A 133 1.983 -18.666 -3.194 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.357 -17.466 -1.677 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.107 -19.143 -2.117 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.229 -18.349 0.411 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.283 -19.565 -0.283 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.848 -16.664 0.260 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.929 -18.039 0.373 1.00 0.31 H new ATOM 1976 N PRO A 134 0.998 -17.153 -4.860 1.00 0.27 N ATOM 1977 CA PRO A 134 0.582 -16.225 -5.906 1.00 0.25 C ATOM 1978 C PRO A 134 -0.732 -15.532 -5.577 1.00 0.27 C ATOM 1979 O PRO A 134 -1.652 -16.147 -5.037 1.00 0.32 O ATOM 1980 CB PRO A 134 0.424 -17.107 -7.146 1.00 0.29 C ATOM 1981 CG PRO A 134 1.277 -18.297 -6.877 1.00 0.52 C ATOM 1982 CD PRO A 134 1.229 -18.509 -5.388 1.00 0.33 C ATOM 0 HA PRO A 134 1.306 -15.421 -6.036 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.617 -17.393 -7.298 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.746 -16.585 -8.047 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.905 -19.173 -7.409 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.300 -18.129 -7.215 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.429 -19.193 -5.105 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.160 -18.934 -5.012 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.783 -14.241 -5.908 1.00 0.26 N ATOM 1991 CA HIS A 135 -1.946 -13.368 -5.676 1.00 0.31 C ATOM 1992 C HIS A 135 -2.512 -13.485 -4.262 1.00 0.32 C ATOM 1993 O HIS A 135 -3.698 -13.255 -4.038 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.043 -13.565 -6.740 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.708 -14.910 -6.777 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.829 -15.221 -6.039 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.423 -16.014 -7.503 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -5.197 -16.458 -6.304 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -4.362 -16.963 -7.193 1.00 2.25 N ATOM 0 H HIS A 135 -0.003 -13.758 -6.354 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.572 -12.349 -5.775 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.812 -12.809 -6.581 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -2.606 -13.374 -7.720 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -2.605 -16.127 -8.199 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -6.040 -16.972 -5.867 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -4.408 -17.904 -7.584 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.654 -13.817 -3.310 1.00 0.24 N ATOM 2009 CA ALA A 136 -2.024 -13.746 -1.906 1.00 0.24 C ATOM 2010 C ALA A 136 -1.767 -12.332 -1.414 1.00 0.21 C ATOM 2011 O ALA A 136 -0.717 -11.760 -1.693 1.00 0.22 O ATOM 2012 CB ALA A 136 -1.243 -14.760 -1.078 1.00 0.26 C ATOM 0 H ALA A 136 -0.701 -14.137 -3.483 1.00 0.24 H new ATOM 0 HA ALA A 136 -3.080 -13.991 -1.795 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.541 -14.683 -0.032 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.453 -15.766 -1.442 1.00 0.26 H new ATOM 0 HB3 ALA A 136 -0.176 -14.557 -1.167 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.707 -11.760 -0.693 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.611 -10.352 -0.347 1.00 0.19 C ATOM 2020 C ALA A 137 -1.623 -10.154 0.796 1.00 0.16 C ATOM 2021 O ALA A 137 -1.843 -10.615 1.916 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.982 -9.781 -0.005 1.00 0.22 C ATOM 0 H ALA A 137 -3.536 -12.236 -0.338 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.238 -9.806 -1.213 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.883 -8.726 0.250 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.644 -9.886 -0.864 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.400 -10.322 0.844 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.521 -9.494 0.494 1.00 0.13 N ATOM 2029 CA LEU A 138 0.537 -9.278 1.463 1.00 0.12 C ATOM 2030 C LEU A 138 0.301 -7.972 2.210 1.00 0.13 C ATOM 2031 O LEU A 138 0.040 -6.941 1.597 1.00 0.15 O ATOM 2032 CB LEU A 138 1.891 -9.237 0.755 1.00 0.13 C ATOM 2033 CG LEU A 138 2.964 -10.132 1.363 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.468 -11.557 1.445 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.245 -10.056 0.555 1.00 0.19 C ATOM 0 H LEU A 138 -0.334 -9.094 -0.426 1.00 0.13 H new ATOM 0 HA LEU A 138 0.535 -10.100 2.179 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.748 -9.524 -0.287 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.253 -8.209 0.756 1.00 0.13 H new ATOM 0 HG LEU A 138 3.180 -9.781 2.372 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.243 -12.187 1.881 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.575 -11.596 2.069 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.228 -11.917 0.445 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.998 -10.702 1.006 1.00 0.19 H new ATOM 0 HD22 LEU A 138 4.051 -10.383 -0.467 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.608 -9.028 0.544 1.00 0.19 H new ATOM 2047 N CYS A 139 0.399 -8.010 3.526 1.00 0.13 N ATOM 2048 CA CYS A 139 0.226 -6.813 4.328 1.00 0.14 C ATOM 2049 C CYS A 139 1.532 -6.487 5.032 1.00 0.13 C ATOM 2050 O CYS A 139 1.875 -7.083 6.045 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.889 -7.028 5.346 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.567 -5.507 6.045 1.00 1.20 S ATOM 0 H CYS A 139 0.597 -8.855 4.062 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.050 -5.977 3.685 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.696 -7.586 4.870 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.508 -7.648 6.158 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.215 -4.857 5.124 1.00 1.20 H new ATOM 2058 N LEU A 140 2.259 -5.543 4.486 1.00 0.13 N ATOM 2059 CA LEU A 140 3.603 -5.260 4.945 1.00 0.14 C ATOM 2060 C LEU A 140 3.698 -3.891 5.591 1.00 0.13 C ATOM 2061 O LEU A 140 3.142 -2.916 5.097 1.00 0.12 O ATOM 2062 CB LEU A 140 4.579 -5.377 3.783 1.00 0.17 C ATOM 2063 CG LEU A 140 4.210 -4.570 2.550 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.065 -3.320 2.492 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.375 -5.408 1.292 1.00 0.32 C ATOM 0 H LEU A 140 1.942 -4.952 3.717 1.00 0.13 H new ATOM 0 HA LEU A 140 3.864 -5.994 5.707 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.565 -5.061 4.123 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.660 -6.427 3.501 1.00 0.17 H new ATOM 0 HG LEU A 140 3.162 -4.275 2.612 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.802 -2.740 1.608 1.00 0.26 H new ATOM 0 HD12 LEU A 140 4.892 -2.719 3.385 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.117 -3.601 2.441 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.106 -4.812 0.420 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.412 -5.732 1.204 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.726 -6.282 1.349 1.00 0.32 H new ATOM 2077 N GLU A 141 4.391 -3.836 6.708 1.00 0.14 N ATOM 2078 CA GLU A 141 4.546 -2.609 7.456 1.00 0.13 C ATOM 2079 C GLU A 141 5.947 -2.055 7.226 1.00 0.12 C ATOM 2080 O GLU A 141 6.930 -2.664 7.647 1.00 0.15 O ATOM 2081 CB GLU A 141 4.293 -2.923 8.927 1.00 0.18 C ATOM 2082 CG GLU A 141 4.417 -1.753 9.877 1.00 0.26 C ATOM 2083 CD GLU A 141 4.157 -2.193 11.303 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.162 -2.919 11.532 1.00 1.00 O ATOM 2085 OE2 GLU A 141 4.960 -1.860 12.191 1.00 1.05 O ATOM 0 H GLU A 141 4.862 -4.640 7.122 1.00 0.14 H new ATOM 0 HA GLU A 141 3.836 -1.849 7.131 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.291 -3.341 9.023 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.993 -3.698 9.240 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.414 -1.320 9.801 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.709 -0.973 9.597 1.00 0.26 H new ATOM 2092 N VAL A 142 6.040 -0.932 6.528 1.00 0.12 N ATOM 2093 CA VAL A 142 7.331 -0.393 6.139 1.00 0.12 C ATOM 2094 C VAL A 142 7.654 0.939 6.816 1.00 0.12 C ATOM 2095 O VAL A 142 6.954 1.938 6.645 1.00 0.15 O ATOM 2096 CB VAL A 142 7.449 -0.245 4.607 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.744 -1.590 3.968 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.178 0.348 4.011 1.00 0.19 C ATOM 0 H VAL A 142 5.239 -0.380 6.221 1.00 0.12 H new ATOM 0 HA VAL A 142 8.066 -1.121 6.483 1.00 0.12 H new ATOM 0 HB VAL A 142 8.273 0.437 4.399 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.824 -1.470 2.888 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.683 -1.981 4.360 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.937 -2.286 4.196 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.291 0.440 2.931 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.333 -0.304 4.233 1.00 0.19 H new ATOM 0 HG23 VAL A 142 5.999 1.333 4.442 1.00 0.19 H new ATOM 2108 N THR A 143 8.717 0.913 7.608 1.00 0.13 N ATOM 2109 CA THR A 143 9.288 2.104 8.216 1.00 0.13 C ATOM 2110 C THR A 143 10.320 2.729 7.289 1.00 0.12 C ATOM 2111 O THR A 143 11.399 2.172 7.090 1.00 0.15 O ATOM 2112 CB THR A 143 10.005 1.746 9.535 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.296 0.696 10.209 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.100 2.963 10.442 1.00 0.22 C ATOM 0 H THR A 143 9.212 0.054 7.848 1.00 0.13 H new ATOM 0 HA THR A 143 8.471 2.801 8.404 1.00 0.13 H new ATOM 0 HB THR A 143 11.014 1.408 9.297 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.758 0.473 11.044 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.609 2.689 11.366 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.662 3.749 9.938 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.098 3.324 10.673 1.00 0.22 H new ATOM 2122 N LEU A 144 9.990 3.870 6.716 1.00 0.13 N ATOM 2123 CA LEU A 144 10.963 4.630 5.953 1.00 0.12 C ATOM 2124 C LEU A 144 11.801 5.436 6.920 1.00 0.12 C ATOM 2125 O LEU A 144 11.429 6.532 7.315 1.00 0.14 O ATOM 2126 CB LEU A 144 10.258 5.541 4.946 1.00 0.14 C ATOM 2127 CG LEU A 144 11.168 6.403 4.076 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.089 5.537 3.228 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.324 7.309 3.194 1.00 0.13 C ATOM 0 H LEU A 144 9.062 4.290 6.763 1.00 0.13 H new ATOM 0 HA LEU A 144 11.606 3.956 5.388 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.644 4.921 4.293 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.581 6.198 5.492 1.00 0.14 H new ATOM 0 HG LEU A 144 11.793 7.018 4.724 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.728 6.175 2.617 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.709 4.920 3.878 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.491 4.895 2.581 1.00 0.15 H new ATOM 0 HD21 LEU A 144 10.976 7.924 2.574 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.683 6.701 2.555 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.706 7.953 3.820 1.00 0.13 H new ATOM 2141 N LYS A 145 12.920 4.864 7.321 1.00 0.14 N ATOM 2142 CA LYS A 145 13.715 5.436 8.389 1.00 0.17 C ATOM 2143 C LYS A 145 14.741 6.406 7.835 1.00 0.16 C ATOM 2144 O LYS A 145 15.116 7.375 8.492 1.00 0.21 O ATOM 2145 CB LYS A 145 14.426 4.327 9.165 1.00 0.26 C ATOM 2146 CG LYS A 145 13.554 3.113 9.436 1.00 0.40 C ATOM 2147 CD LYS A 145 14.341 2.013 10.125 1.00 0.60 C ATOM 2148 CE LYS A 145 15.486 1.551 9.249 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.491 0.748 10.007 1.00 1.08 N ATOM 0 H LYS A 145 13.298 4.004 6.923 1.00 0.14 H new ATOM 0 HA LYS A 145 13.047 5.977 9.059 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.307 4.012 8.606 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.778 4.729 10.115 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.707 3.402 10.058 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.146 2.738 8.497 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.728 2.376 11.077 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.684 1.172 10.348 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.093 0.954 8.426 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.976 2.419 8.807 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.422 0.838 9.552 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.548 1.097 10.985 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.204 -0.252 10.013 1.00 1.08 H new ATOM 2163 N THR A 146 15.208 6.143 6.629 1.00 0.16 N ATOM 2164 CA THR A 146 16.255 6.953 6.049 1.00 0.19 C ATOM 2165 C THR A 146 16.124 7.024 4.536 1.00 0.17 C ATOM 2166 O THR A 146 15.611 6.103 3.901 1.00 0.16 O ATOM 2167 CB THR A 146 17.642 6.372 6.388 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.689 5.977 7.767 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.753 7.376 6.115 1.00 0.37 C ATOM 0 H THR A 146 14.880 5.379 6.038 1.00 0.16 H new ATOM 0 HA THR A 146 16.155 7.954 6.469 1.00 0.19 H new ATOM 0 HB THR A 146 17.798 5.504 5.748 1.00 0.25 H new ATOM 0 HG1 THR A 146 17.330 5.070 7.860 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.716 6.931 6.366 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.744 7.651 5.060 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.596 8.267 6.723 1.00 0.37 H new ATOM 2177 N ALA A 147 16.594 8.122 3.972 1.00 0.20 N ATOM 2178 CA ALA A 147 16.689 8.270 2.536 1.00 0.19 C ATOM 2179 C ALA A 147 17.987 8.968 2.190 1.00 0.22 C ATOM 2180 O ALA A 147 18.286 10.022 2.747 1.00 0.25 O ATOM 2181 CB ALA A 147 15.505 9.065 2.011 1.00 0.21 C ATOM 0 H ALA A 147 16.919 8.933 4.498 1.00 0.20 H new ATOM 0 HA ALA A 147 16.675 7.285 2.069 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.588 9.170 0.929 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.580 8.544 2.255 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.497 10.053 2.471 1.00 0.21 H new ATOM 2187 N VAL A 148 18.767 8.387 1.287 1.00 0.24 N ATOM 2188 CA VAL A 148 20.037 8.991 0.910 1.00 0.31 C ATOM 2189 C VAL A 148 20.176 9.022 -0.603 1.00 0.34 C ATOM 2190 O VAL A 148 19.722 8.114 -1.302 1.00 0.36 O ATOM 2191 CB VAL A 148 21.252 8.265 1.547 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.106 8.193 3.057 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.432 6.870 0.979 1.00 0.75 C ATOM 0 H VAL A 148 18.547 7.513 0.809 1.00 0.24 H new ATOM 0 HA VAL A 148 20.035 10.010 1.296 1.00 0.31 H new ATOM 0 HB VAL A 148 22.140 8.848 1.302 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.969 7.680 3.482 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.046 9.202 3.465 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.198 7.645 3.309 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.292 6.394 1.449 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.538 6.279 1.176 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.596 6.934 -0.097 1.00 0.75 H new ATOM 2203 N ASP A 149 20.804 10.063 -1.107 1.00 0.44 N ATOM 2204 CA ASP A 149 20.894 10.266 -2.540 1.00 0.52 C ATOM 2205 C ASP A 149 22.168 9.633 -3.080 1.00 0.66 C ATOM 2206 O ASP A 149 23.274 10.015 -2.697 1.00 0.79 O ATOM 2207 CB ASP A 149 20.843 11.760 -2.862 1.00 0.68 C ATOM 2208 CG ASP A 149 21.168 12.070 -4.310 1.00 1.41 C ATOM 2209 OD1 ASP A 149 20.856 11.246 -5.197 1.00 2.27 O ATOM 2210 OD2 ASP A 149 21.746 13.146 -4.567 1.00 1.61 O ATOM 0 H ASP A 149 21.260 10.783 -0.547 1.00 0.44 H new ATOM 0 HA ASP A 149 20.045 9.784 -3.024 1.00 0.52 H new ATOM 0 HB2 ASP A 149 19.849 12.141 -2.630 1.00 0.68 H new ATOM 0 HB3 ASP A 149 21.546 12.288 -2.217 1.00 0.68 H new ATOM 2215 N LEU A 150 22.011 8.665 -3.967 1.00 0.68 N ATOM 2216 CA LEU A 150 23.144 7.897 -4.462 1.00 0.89 C ATOM 2217 C LEU A 150 22.966 7.612 -5.948 1.00 0.96 C ATOM 2218 O LEU A 150 23.722 6.850 -6.549 1.00 1.38 O ATOM 2219 CB LEU A 150 23.258 6.581 -3.676 1.00 1.00 C ATOM 2220 CG LEU A 150 24.596 5.850 -3.801 1.00 1.09 C ATOM 2221 CD1 LEU A 150 25.705 6.643 -3.125 1.00 1.81 C ATOM 2222 CD2 LEU A 150 24.495 4.451 -3.206 1.00 1.97 C ATOM 0 H LEU A 150 21.110 8.391 -4.360 1.00 0.68 H new ATOM 0 HA LEU A 150 24.060 8.472 -4.324 1.00 0.89 H new ATOM 0 HB2 LEU A 150 23.076 6.791 -2.622 1.00 1.00 H new ATOM 0 HB3 LEU A 150 22.466 5.910 -4.008 1.00 1.00 H new ATOM 0 HG LEU A 150 24.841 5.757 -4.859 1.00 1.09 H new ATOM 0 HD11 LEU A 150 26.649 6.107 -3.225 1.00 1.81 H new ATOM 0 HD12 LEU A 150 25.792 7.622 -3.597 1.00 1.81 H new ATOM 0 HD13 LEU A 150 25.470 6.770 -2.068 1.00 1.81 H new ATOM 0 HD21 LEU A 150 25.455 3.944 -3.303 1.00 1.97 H new ATOM 0 HD22 LEU A 150 24.227 4.522 -2.152 1.00 1.97 H new ATOM 0 HD23 LEU A 150 23.730 3.884 -3.737 1.00 1.97 H new ATOM 2234 N GLU A 151 21.978 8.259 -6.544 1.00 0.72 N ATOM 2235 CA GLU A 151 21.621 7.989 -7.923 1.00 0.79 C ATOM 2236 C GLU A 151 21.886 9.216 -8.784 1.00 1.44 C ATOM 2237 O GLU A 151 21.164 10.210 -8.715 1.00 2.14 O ATOM 2238 CB GLU A 151 20.150 7.574 -7.992 1.00 0.57 C ATOM 2239 CG GLU A 151 19.670 7.163 -9.368 1.00 0.60 C ATOM 2240 CD GLU A 151 20.673 6.276 -10.079 1.00 0.92 C ATOM 2241 OE1 GLU A 151 20.626 5.044 -9.887 1.00 1.57 O ATOM 2242 OE2 GLU A 151 21.538 6.822 -10.805 1.00 1.32 O ATOM 0 H GLU A 151 21.410 8.975 -6.092 1.00 0.72 H new ATOM 0 HA GLU A 151 22.233 7.173 -8.308 1.00 0.79 H new ATOM 0 HB2 GLU A 151 19.988 6.745 -7.304 1.00 0.57 H new ATOM 0 HB3 GLU A 151 19.536 8.404 -7.641 1.00 0.57 H new ATOM 0 HG2 GLU A 151 18.720 6.636 -9.278 1.00 0.60 H new ATOM 0 HG3 GLU A 151 19.485 8.054 -9.968 1.00 0.60 H new ATOM 2249 N HIS A 152 22.954 9.153 -9.563 1.00 2.00 N ATOM 2250 CA HIS A 152 23.346 10.265 -10.419 1.00 2.74 C ATOM 2251 C HIS A 152 23.900 9.739 -11.741 1.00 3.34 C ATOM 2252 O HIS A 152 24.558 10.472 -12.480 1.00 4.01 O ATOM 2253 CB HIS A 152 24.423 11.124 -9.735 1.00 3.58 C ATOM 2254 CG HIS A 152 24.085 11.563 -8.342 1.00 4.23 C ATOM 2255 ND1 HIS A 152 24.561 10.915 -7.225 1.00 4.97 N ATOM 2256 CD2 HIS A 152 23.336 12.594 -7.888 1.00 4.78 C ATOM 2257 CE1 HIS A 152 24.121 11.527 -6.144 1.00 5.79 C ATOM 2258 NE2 HIS A 152 23.375 12.549 -6.514 1.00 5.71 N ATOM 0 H HIS A 152 23.568 8.341 -9.621 1.00 2.00 H new ATOM 0 HA HIS A 152 22.463 10.876 -10.604 1.00 2.74 H new ATOM 0 HB2 HIS A 152 25.355 10.559 -9.707 1.00 3.58 H new ATOM 0 HB3 HIS A 152 24.605 12.008 -10.346 1.00 3.58 H new ATOM 0 HD2 HIS A 152 22.807 13.317 -8.491 1.00 4.78 H new ATOM 0 HE1 HIS A 152 24.336 11.239 -5.125 1.00 5.79 H new ATOM 0 HE2 HIS A 152 22.904 13.199 -5.885 1.00 5.71 H new ATOM 2267 N HIS A 153 23.624 8.473 -12.046 1.00 3.70 N ATOM 2268 CA HIS A 153 24.221 7.830 -13.214 1.00 4.77 C ATOM 2269 C HIS A 153 23.167 7.527 -14.272 1.00 5.09 C ATOM 2270 O HIS A 153 22.026 7.198 -13.949 1.00 5.37 O ATOM 2271 CB HIS A 153 24.975 6.541 -12.824 1.00 5.63 C ATOM 2272 CG HIS A 153 24.125 5.488 -12.167 1.00 6.19 C ATOM 2273 ND1 HIS A 153 23.339 4.607 -12.871 1.00 6.78 N ATOM 2274 CD2 HIS A 153 23.943 5.183 -10.863 1.00 6.64 C ATOM 2275 CE1 HIS A 153 22.705 3.817 -12.032 1.00 7.48 C ATOM 2276 NE2 HIS A 153 23.046 4.141 -10.798 1.00 7.41 N ATOM 0 H HIS A 153 22.997 7.877 -11.506 1.00 3.70 H new ATOM 0 HA HIS A 153 24.942 8.530 -13.636 1.00 4.77 H new ATOM 0 HB2 HIS A 153 25.427 6.116 -13.720 1.00 5.63 H new ATOM 0 HB3 HIS A 153 25.790 6.803 -12.149 1.00 5.63 H new ATOM 0 HD2 HIS A 153 24.416 5.669 -10.023 1.00 6.64 H new ATOM 0 HE1 HIS A 153 22.017 3.031 -12.307 1.00 7.48 H new ATOM 0 HE2 HIS A 153 22.704 3.697 -9.946 1.00 7.41 H new ATOM 2285 N HIS A 154 23.569 7.639 -15.536 1.00 5.42 N ATOM 2286 CA HIS A 154 22.682 7.408 -16.676 1.00 6.05 C ATOM 2287 C HIS A 154 21.555 8.438 -16.735 1.00 6.57 C ATOM 2288 O HIS A 154 21.552 9.429 -16.002 1.00 7.00 O ATOM 2289 CB HIS A 154 22.086 5.992 -16.648 1.00 6.58 C ATOM 2290 CG HIS A 154 23.001 4.920 -17.149 1.00 7.19 C ATOM 2291 ND1 HIS A 154 22.932 3.613 -16.719 1.00 7.60 N ATOM 2292 CD2 HIS A 154 23.984 4.955 -18.080 1.00 7.78 C ATOM 2293 CE1 HIS A 154 23.831 2.893 -17.364 1.00 8.35 C ATOM 2294 NE2 HIS A 154 24.482 3.681 -18.201 1.00 8.46 N ATOM 0 H HIS A 154 24.521 7.893 -15.800 1.00 5.42 H new ATOM 0 HA HIS A 154 23.294 7.514 -17.571 1.00 6.05 H new ATOM 0 HB2 HIS A 154 21.796 5.754 -15.624 1.00 6.58 H new ATOM 0 HB3 HIS A 154 21.176 5.983 -17.247 1.00 6.58 H new ATOM 0 HD2 HIS A 154 24.315 5.825 -18.627 1.00 7.78 H new ATOM 0 HE1 HIS A 154 24.005 1.836 -17.230 1.00 8.35 H new ATOM 0 HE2 HIS A 154 25.230 3.391 -18.832 1.00 8.46 H new ATOM 2303 N HIS A 155 20.623 8.195 -17.647 1.00 6.86 N ATOM 2304 CA HIS A 155 19.441 9.029 -17.824 1.00 7.69 C ATOM 2305 C HIS A 155 18.503 8.316 -18.788 1.00 8.40 C ATOM 2306 O HIS A 155 18.910 7.344 -19.426 1.00 8.69 O ATOM 2307 CB HIS A 155 19.814 10.425 -18.362 1.00 7.95 C ATOM 2308 CG HIS A 155 20.469 10.429 -19.716 1.00 8.17 C ATOM 2309 ND1 HIS A 155 21.789 10.766 -19.917 1.00 8.40 N ATOM 2310 CD2 HIS A 155 19.970 10.152 -20.944 1.00 8.48 C ATOM 2311 CE1 HIS A 155 22.069 10.696 -21.203 1.00 8.78 C ATOM 2312 NE2 HIS A 155 20.983 10.328 -21.849 1.00 8.83 N ATOM 0 H HIS A 155 20.667 7.405 -18.291 1.00 6.86 H new ATOM 0 HA HIS A 155 18.953 9.180 -16.861 1.00 7.69 H new ATOM 0 HB2 HIS A 155 18.911 11.033 -18.410 1.00 7.95 H new ATOM 0 HB3 HIS A 155 20.484 10.906 -17.649 1.00 7.95 H new ATOM 0 HD2 HIS A 155 18.958 9.848 -21.169 1.00 8.48 H new ATOM 0 HE1 HIS A 155 23.029 10.906 -21.652 1.00 8.78 H new ATOM 0 HE2 HIS A 155 20.908 10.196 -22.858 1.00 8.83 H new ATOM 2321 N HIS A 156 17.270 8.783 -18.908 1.00 8.92 N ATOM 2322 CA HIS A 156 16.344 8.189 -19.862 1.00 9.83 C ATOM 2323 C HIS A 156 15.402 9.240 -20.438 1.00 10.27 C ATOM 2324 O HIS A 156 14.989 10.173 -19.743 1.00 10.47 O ATOM 2325 CB HIS A 156 15.557 7.019 -19.237 1.00 10.32 C ATOM 2326 CG HIS A 156 14.451 7.404 -18.291 1.00 10.97 C ATOM 2327 ND1 HIS A 156 14.556 7.314 -16.917 1.00 11.47 N ATOM 2328 CD2 HIS A 156 13.191 7.836 -18.539 1.00 11.42 C ATOM 2329 CE1 HIS A 156 13.407 7.670 -16.365 1.00 12.17 C ATOM 2330 NE2 HIS A 156 12.566 7.994 -17.329 1.00 12.15 N ATOM 0 H HIS A 156 16.890 9.560 -18.366 1.00 8.92 H new ATOM 0 HA HIS A 156 16.936 7.782 -20.682 1.00 9.83 H new ATOM 0 HB2 HIS A 156 15.129 6.422 -20.043 1.00 10.32 H new ATOM 0 HB3 HIS A 156 16.259 6.378 -18.704 1.00 10.32 H new ATOM 0 HD2 HIS A 156 12.759 8.022 -19.511 1.00 11.42 H new ATOM 0 HE1 HIS A 156 13.194 7.692 -15.306 1.00 12.17 H new ATOM 0 HE2 HIS A 156 11.606 8.311 -17.195 1.00 12.15 H new ATOM 2339 N HIS A 157 15.078 9.084 -21.707 1.00 10.63 N ATOM 2340 CA HIS A 157 14.182 10.001 -22.392 1.00 11.28 C ATOM 2341 C HIS A 157 13.490 9.264 -23.532 1.00 11.64 C ATOM 2342 O HIS A 157 12.637 8.404 -23.239 1.00 11.96 O ATOM 2343 CB HIS A 157 14.970 11.209 -22.926 1.00 11.62 C ATOM 2344 CG HIS A 157 14.116 12.289 -23.525 1.00 12.24 C ATOM 2345 ND1 HIS A 157 13.766 12.310 -24.856 1.00 12.87 N ATOM 2346 CD2 HIS A 157 13.559 13.392 -22.974 1.00 12.51 C ATOM 2347 CE1 HIS A 157 13.032 13.377 -25.099 1.00 13.46 C ATOM 2348 NE2 HIS A 157 12.892 14.052 -23.977 1.00 13.27 N ATOM 2349 OXT HIS A 157 13.833 9.514 -24.702 1.00 11.78 O ATOM 0 H HIS A 157 15.425 8.323 -22.291 1.00 10.63 H new ATOM 0 HA HIS A 157 13.429 10.368 -21.695 1.00 11.28 H new ATOM 0 HB2 HIS A 157 15.555 11.635 -22.111 1.00 11.62 H new ATOM 0 HB3 HIS A 157 15.678 10.862 -23.679 1.00 11.62 H new ATOM 0 HD1 HIS A 157 14.033 11.609 -25.547 1.00 12.87 H new ATOM 0 HD2 HIS A 157 13.626 13.696 -21.940 1.00 12.51 H new ATOM 0 HE1 HIS A 157 12.615 13.652 -26.057 1.00 13.46 H new TER 2358 HIS A 157