USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 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 41 MET CE :methyl 164:sc= -0.329 (180deg=-1.25) USER MOD Set 1.2: A 49 MET CE :methyl 171:sc= -4.62! (180deg=-4.61!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 74:sc= 0.37 USER MOD Single : A 19 TYR OH : rot 21:sc= 1.23 USER MOD Single : A 26 SER OG : rot -177:sc= -1.16 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.224 K(o=-0.22,f=-4.4!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.37) USER MOD Single : A 44 SER OG : rot 180:sc= 0.175 USER MOD Single : A 47 LYS NZ :NH3+ -95:sc= 1.2 (180deg=-0.685) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 1.19 (180deg=0.4) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.221 USER MOD Single : A 62 THR OG1 : rot 34:sc= 0.62 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.11) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.849) USER MOD Single : A 80 THR OG1 : rot -80:sc= -0.385 USER MOD Single : A 85 SER OG : rot -88:sc= 1.3 USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= -0.201 (180deg=-0.961) USER MOD Single : A 87 LYS NZ :NH3+ -118:sc= 1.05 (180deg=-0.797!) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.780 -0.828 -0.778 1.00 0.88 N ATOM 50 CA ASN A 14 10.801 -0.675 0.294 1.00 0.81 C ATOM 51 C ASN A 14 9.414 -0.453 -0.289 1.00 0.64 C ATOM 52 O ASN A 14 8.416 -0.913 0.268 1.00 0.66 O ATOM 53 CB ASN A 14 11.182 0.492 1.217 1.00 0.96 C ATOM 54 CG ASN A 14 10.003 1.034 2.007 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.323 1.968 1.575 1.00 2.24 O ATOM 56 ND2 ASN A 14 9.755 0.457 3.172 1.00 2.24 N ATOM 0 HA ASN A 14 10.793 -1.591 0.885 1.00 0.81 H new ATOM 0 HB2 ASN A 14 11.956 0.162 1.910 1.00 0.96 H new ATOM 0 HB3 ASN A 14 11.612 1.296 0.619 1.00 0.96 H new ATOM 0 HD21 ASN A 14 8.978 0.783 3.747 1.00 2.24 H new ATOM 0 HD22 ASN A 14 10.341 -0.313 3.495 1.00 2.24 H new ATOM 63 N LEU A 15 9.362 0.242 -1.419 1.00 0.56 N ATOM 64 CA LEU A 15 8.100 0.513 -2.088 1.00 0.48 C ATOM 65 C LEU A 15 7.437 -0.804 -2.477 1.00 0.37 C ATOM 66 O LEU A 15 6.214 -0.947 -2.399 1.00 0.33 O ATOM 67 CB LEU A 15 8.326 1.386 -3.323 1.00 0.58 C ATOM 68 CG LEU A 15 7.249 2.434 -3.593 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.852 3.632 -4.318 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.111 1.824 -4.403 1.00 0.60 C ATOM 0 H LEU A 15 10.181 0.627 -1.890 1.00 0.56 H new ATOM 0 HA LEU A 15 7.443 1.055 -1.407 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.284 1.894 -3.217 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.404 0.737 -4.196 1.00 0.58 H new ATOM 0 HG LEU A 15 6.843 2.779 -2.642 1.00 0.65 H new ATOM 0 HD11 LEU A 15 7.075 4.373 -4.505 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.634 4.075 -3.701 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.279 3.306 -5.267 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.350 2.582 -4.589 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.497 1.457 -5.354 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.671 0.996 -3.846 1.00 0.60 H new ATOM 82 N ARG A 16 8.258 -1.778 -2.851 1.00 0.36 N ATOM 83 CA ARG A 16 7.765 -3.096 -3.212 1.00 0.33 C ATOM 84 C ARG A 16 7.234 -3.785 -1.965 1.00 0.27 C ATOM 85 O ARG A 16 6.209 -4.460 -2.004 1.00 0.28 O ATOM 86 CB ARG A 16 8.875 -3.927 -3.854 1.00 0.40 C ATOM 87 CG ARG A 16 8.402 -5.273 -4.375 1.00 0.65 C ATOM 88 CD ARG A 16 8.175 -5.244 -5.879 1.00 1.29 C ATOM 89 NE ARG A 16 8.905 -6.306 -6.563 1.00 2.05 N ATOM 90 CZ ARG A 16 8.402 -7.515 -6.809 1.00 2.78 C ATOM 91 NH1 ARG A 16 7.169 -7.820 -6.419 1.00 3.11 N ATOM 92 NH2 ARG A 16 9.129 -8.415 -7.449 1.00 3.67 N ATOM 0 H ARG A 16 9.271 -1.676 -2.911 1.00 0.36 H new ATOM 0 HA ARG A 16 6.960 -2.995 -3.940 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.312 -3.361 -4.677 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.667 -4.088 -3.122 1.00 0.40 H new ATOM 0 HG2 ARG A 16 9.140 -6.037 -4.133 1.00 0.65 H new ATOM 0 HG3 ARG A 16 7.476 -5.553 -3.872 1.00 0.65 H new ATOM 0 HD2 ARG A 16 7.110 -5.345 -6.087 1.00 1.29 H new ATOM 0 HD3 ARG A 16 8.487 -4.277 -6.274 1.00 1.29 H new ATOM 0 HE ARG A 16 9.858 -6.111 -6.871 1.00 2.05 H new ATOM 0 HH11 ARG A 16 6.603 -7.127 -5.929 1.00 3.11 H new ATOM 0 HH12 ARG A 16 6.788 -8.747 -6.610 1.00 3.11 H new ATOM 0 HH21 ARG A 16 10.074 -8.184 -7.754 1.00 3.67 H new ATOM 0 HH22 ARG A 16 8.744 -9.341 -7.638 1.00 3.67 H new ATOM 106 N MET A 17 7.930 -3.572 -0.856 1.00 0.28 N ATOM 107 CA MET A 17 7.538 -4.131 0.433 1.00 0.32 C ATOM 108 C MET A 17 6.169 -3.587 0.839 1.00 0.25 C ATOM 109 O MET A 17 5.295 -4.335 1.275 1.00 0.27 O ATOM 110 CB MET A 17 8.587 -3.774 1.492 1.00 0.45 C ATOM 111 CG MET A 17 8.314 -4.361 2.867 1.00 0.81 C ATOM 112 SD MET A 17 8.830 -3.266 4.209 1.00 1.96 S ATOM 113 CE MET A 17 7.845 -3.900 5.565 1.00 2.93 C ATOM 0 H MET A 17 8.780 -3.009 -0.823 1.00 0.28 H new ATOM 0 HA MET A 17 7.474 -5.216 0.352 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.563 -4.119 1.150 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.644 -2.689 1.578 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.248 -4.570 2.963 1.00 0.81 H new ATOM 0 HG3 MET A 17 8.835 -5.314 2.961 1.00 0.81 H new ATOM 0 HE1 MET A 17 8.053 -3.324 6.467 1.00 2.93 H new ATOM 0 HE2 MET A 17 6.787 -3.815 5.317 1.00 2.93 H new ATOM 0 HE3 MET A 17 8.095 -4.947 5.738 1.00 2.93 H new ATOM 123 N THR A 18 5.985 -2.282 0.665 1.00 0.21 N ATOM 124 CA THR A 18 4.723 -1.620 0.992 1.00 0.20 C ATOM 125 C THR A 18 3.597 -2.101 0.079 1.00 0.19 C ATOM 126 O THR A 18 2.489 -2.400 0.535 1.00 0.23 O ATOM 127 CB THR A 18 4.871 -0.084 0.862 1.00 0.27 C ATOM 128 OG1 THR A 18 6.029 0.348 1.586 1.00 0.38 O ATOM 129 CG2 THR A 18 3.643 0.647 1.390 1.00 0.30 C ATOM 0 H THR A 18 6.700 -1.655 0.296 1.00 0.21 H new ATOM 0 HA THR A 18 4.471 -1.875 2.021 1.00 0.20 H new ATOM 0 HB THR A 18 4.976 0.154 -0.196 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.837 0.088 1.096 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.785 1.722 1.282 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.764 0.338 0.824 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.500 0.404 2.443 1.00 0.30 H new ATOM 137 N TYR A 19 3.901 -2.178 -1.208 1.00 0.21 N ATOM 138 CA TYR A 19 2.943 -2.605 -2.214 1.00 0.28 C ATOM 139 C TYR A 19 2.550 -4.067 -2.017 1.00 0.31 C ATOM 140 O TYR A 19 1.383 -4.425 -2.145 1.00 0.36 O ATOM 141 CB TYR A 19 3.555 -2.370 -3.600 1.00 0.35 C ATOM 142 CG TYR A 19 3.006 -3.236 -4.720 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.763 -2.980 -5.298 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.751 -4.298 -5.217 1.00 0.52 C ATOM 145 CE1 TYR A 19 1.286 -3.758 -6.340 1.00 0.39 C ATOM 146 CE2 TYR A 19 3.279 -5.080 -6.252 1.00 0.59 C ATOM 147 CZ TYR A 19 2.048 -4.807 -6.811 1.00 0.52 C ATOM 148 OH TYR A 19 1.588 -5.583 -7.854 1.00 0.61 O ATOM 0 H TYR A 19 4.820 -1.946 -1.584 1.00 0.21 H new ATOM 0 HA TYR A 19 2.027 -2.021 -2.119 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.407 -1.324 -3.869 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.631 -2.533 -3.534 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.163 -2.162 -4.927 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.717 -4.516 -4.786 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.323 -3.545 -6.781 1.00 0.39 H new ATOM 0 HE2 TYR A 19 3.872 -5.903 -6.623 1.00 0.59 H new ATOM 0 HH TYR A 19 0.903 -5.090 -8.351 1.00 0.61 H new ATOM 158 N GLU A 20 3.530 -4.904 -1.698 1.00 0.32 N ATOM 159 CA GLU A 20 3.275 -6.323 -1.486 1.00 0.40 C ATOM 160 C GLU A 20 2.606 -6.578 -0.137 1.00 0.35 C ATOM 161 O GLU A 20 1.811 -7.508 0.002 1.00 0.35 O ATOM 162 CB GLU A 20 4.562 -7.140 -1.614 1.00 0.51 C ATOM 163 CG GLU A 20 4.908 -7.504 -3.053 1.00 1.21 C ATOM 164 CD GLU A 20 3.902 -8.450 -3.707 1.00 1.65 C ATOM 165 OE1 GLU A 20 2.707 -8.415 -3.351 1.00 2.35 O ATOM 166 OE2 GLU A 20 4.304 -9.231 -4.600 1.00 1.93 O ATOM 0 H GLU A 20 4.504 -4.626 -1.581 1.00 0.32 H new ATOM 0 HA GLU A 20 2.586 -6.648 -2.266 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.387 -6.574 -1.182 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.462 -8.055 -1.030 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.971 -6.590 -3.644 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.895 -7.966 -3.074 1.00 1.21 H new ATOM 173 N ARG A 21 2.903 -5.745 0.856 1.00 0.33 N ATOM 174 CA ARG A 21 2.290 -5.903 2.169 1.00 0.32 C ATOM 175 C ARG A 21 0.809 -5.566 2.075 1.00 0.26 C ATOM 176 O ARG A 21 -0.025 -6.159 2.756 1.00 0.29 O ATOM 177 CB ARG A 21 2.975 -5.006 3.199 1.00 0.34 C ATOM 178 CG ARG A 21 2.963 -5.569 4.606 1.00 0.48 C ATOM 179 CD ARG A 21 3.962 -6.701 4.762 1.00 0.87 C ATOM 180 NE ARG A 21 3.365 -7.859 5.430 1.00 1.73 N ATOM 181 CZ ARG A 21 3.086 -9.020 4.828 1.00 2.60 C ATOM 182 NH1 ARG A 21 3.391 -9.202 3.549 1.00 2.99 N ATOM 183 NH2 ARG A 21 2.528 -10.017 5.513 1.00 3.57 N ATOM 0 H ARG A 21 3.555 -4.964 0.778 1.00 0.33 H new ATOM 0 HA ARG A 21 2.408 -6.937 2.494 1.00 0.32 H new ATOM 0 HB2 ARG A 21 4.008 -4.841 2.893 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.484 -4.033 3.203 1.00 0.34 H new ATOM 0 HG2 ARG A 21 3.195 -4.777 5.318 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.963 -5.930 4.846 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.333 -6.998 3.781 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.821 -6.352 5.335 1.00 0.87 H new ATOM 0 HE ARG A 21 3.147 -7.774 6.423 1.00 1.73 H new ATOM 0 HH11 ARG A 21 3.840 -8.454 3.020 1.00 2.99 H new ATOM 0 HH12 ARG A 21 3.176 -10.090 3.095 1.00 2.99 H new ATOM 0 HH21 ARG A 21 2.311 -9.897 6.502 1.00 3.57 H new ATOM 0 HH22 ARG A 21 2.318 -10.900 5.048 1.00 3.57 H new ATOM 197 N LEU A 22 0.489 -4.633 1.188 1.00 0.22 N ATOM 198 CA LEU A 22 -0.886 -4.229 0.963 1.00 0.20 C ATOM 199 C LEU A 22 -1.626 -5.314 0.191 1.00 0.23 C ATOM 200 O LEU A 22 -2.815 -5.544 0.401 1.00 0.24 O ATOM 201 CB LEU A 22 -0.910 -2.934 0.160 1.00 0.22 C ATOM 202 CG LEU A 22 -0.852 -1.648 0.977 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.089 -0.577 0.212 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.258 -1.180 1.298 1.00 0.33 C ATOM 0 H LEU A 22 1.171 -4.141 0.611 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.375 -4.075 1.925 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.068 -2.941 -0.532 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.818 -2.919 -0.443 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.327 -1.839 1.913 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.053 0.337 0.804 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.926 -0.923 0.017 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.592 -0.377 -0.734 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.211 -0.261 1.882 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.800 -0.994 0.371 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.775 -1.949 1.872 1.00 0.33 H new ATOM 216 N ARG A 23 -0.895 -5.974 -0.702 1.00 0.27 N ATOM 217 CA ARG A 23 -1.445 -7.036 -1.521 1.00 0.32 C ATOM 218 C ARG A 23 -1.766 -8.256 -0.663 1.00 0.31 C ATOM 219 O ARG A 23 -2.816 -8.875 -0.819 1.00 0.34 O ATOM 220 CB ARG A 23 -0.450 -7.410 -2.629 1.00 0.39 C ATOM 221 CG ARG A 23 -1.105 -7.693 -3.967 1.00 0.82 C ATOM 222 CD ARG A 23 -0.265 -7.171 -5.120 1.00 1.40 C ATOM 223 NE ARG A 23 0.924 -7.988 -5.355 1.00 1.98 N ATOM 224 CZ ARG A 23 1.191 -8.574 -6.517 1.00 2.61 C ATOM 225 NH1 ARG A 23 0.394 -8.366 -7.560 1.00 3.01 N ATOM 226 NH2 ARG A 23 2.267 -9.340 -6.641 1.00 3.33 N ATOM 0 H ARG A 23 0.092 -5.784 -0.874 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.369 -6.685 -1.980 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.267 -6.598 -2.750 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.114 -8.289 -2.317 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -1.253 -8.767 -4.081 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -2.091 -7.230 -3.995 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -0.871 -7.146 -6.026 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.038 -6.145 -4.911 1.00 1.40 H new ATOM 0 HE ARG A 23 1.583 -8.115 -4.587 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -0.420 -7.758 -7.467 1.00 3.01 H new ATOM 0 HH12 ARG A 23 0.596 -8.814 -8.454 1.00 3.01 H new ATOM 0 HH21 ARG A 23 2.889 -9.479 -5.844 1.00 3.33 H new ATOM 0 HH22 ARG A 23 2.472 -9.790 -7.533 1.00 3.33 H new ATOM 240 N GLU A 24 -0.873 -8.583 0.264 1.00 0.31 N ATOM 241 CA GLU A 24 -1.083 -9.715 1.151 1.00 0.33 C ATOM 242 C GLU A 24 -2.233 -9.428 2.102 1.00 0.28 C ATOM 243 O GLU A 24 -3.060 -10.303 2.401 1.00 0.30 O ATOM 244 CB GLU A 24 0.194 -10.012 1.939 1.00 0.38 C ATOM 245 CG GLU A 24 0.330 -11.470 2.354 1.00 0.61 C ATOM 246 CD GLU A 24 1.690 -11.797 2.926 1.00 1.63 C ATOM 247 OE1 GLU A 24 2.690 -11.650 2.198 1.00 2.24 O ATOM 248 OE2 GLU A 24 1.768 -12.221 4.101 1.00 2.36 O ATOM 0 H GLU A 24 0.001 -8.080 0.419 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.335 -10.590 0.551 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.057 -9.733 1.334 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.214 -9.386 2.831 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.435 -11.704 3.094 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.143 -12.107 1.490 1.00 0.61 H new ATOM 255 N LEU A 25 -2.302 -8.183 2.551 1.00 0.24 N ATOM 256 CA LEU A 25 -3.362 -7.759 3.443 1.00 0.22 C ATOM 257 C LEU A 25 -4.689 -7.769 2.695 1.00 0.18 C ATOM 258 O LEU A 25 -5.733 -8.089 3.254 1.00 0.20 O ATOM 259 CB LEU A 25 -3.059 -6.356 3.987 1.00 0.22 C ATOM 260 CG LEU A 25 -3.330 -6.132 5.481 1.00 0.25 C ATOM 261 CD1 LEU A 25 -3.999 -4.791 5.714 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.178 -7.250 6.082 1.00 0.28 C ATOM 0 H LEU A 25 -1.634 -7.451 2.310 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.427 -8.448 4.286 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.010 -6.133 3.793 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.648 -5.635 3.421 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.363 -6.139 5.984 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.181 -4.655 6.780 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.351 -3.993 5.352 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -4.947 -4.759 5.177 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.345 -7.051 7.141 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.137 -7.297 5.566 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.658 -8.201 5.970 1.00 0.28 H new ATOM 274 N SER A 26 -4.628 -7.429 1.414 1.00 0.17 N ATOM 275 CA SER A 26 -5.807 -7.393 0.565 1.00 0.16 C ATOM 276 C SER A 26 -6.364 -8.791 0.327 1.00 0.19 C ATOM 277 O SER A 26 -7.575 -8.990 0.245 1.00 0.22 O ATOM 278 CB SER A 26 -5.445 -6.743 -0.772 1.00 0.19 C ATOM 279 OG SER A 26 -5.965 -5.435 -0.859 1.00 0.86 O ATOM 0 H SER A 26 -3.763 -7.172 0.938 1.00 0.17 H new ATOM 0 HA SER A 26 -6.577 -6.809 1.068 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.361 -6.715 -0.884 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.835 -7.348 -1.591 1.00 0.19 H new ATOM 0 HG SER A 26 -5.760 -5.059 -1.741 1.00 0.86 H new ATOM 285 N LEU A 27 -5.477 -9.766 0.227 1.00 0.23 N ATOM 286 CA LEU A 27 -5.887 -11.139 -0.001 1.00 0.28 C ATOM 287 C LEU A 27 -6.574 -11.721 1.235 1.00 0.29 C ATOM 288 O LEU A 27 -7.461 -12.565 1.118 1.00 0.34 O ATOM 289 CB LEU A 27 -4.679 -11.996 -0.390 1.00 0.33 C ATOM 290 CG LEU A 27 -4.671 -12.481 -1.836 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.973 -11.333 -2.787 1.00 0.54 C ATOM 292 CD2 LEU A 27 -3.327 -13.099 -2.178 1.00 0.60 C ATOM 0 H LEU A 27 -4.469 -9.631 0.300 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.605 -11.146 -0.821 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.771 -11.420 -0.211 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.641 -12.864 0.269 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.447 -13.239 -1.947 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.963 -11.699 -3.814 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.956 -10.920 -2.559 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -4.217 -10.556 -2.671 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -3.336 -13.441 -3.213 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -2.541 -12.355 -2.048 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -3.137 -13.946 -1.518 1.00 0.60 H new ATOM 304 N ASN A 28 -6.159 -11.268 2.414 1.00 0.28 N ATOM 305 CA ASN A 28 -6.742 -11.759 3.661 1.00 0.35 C ATOM 306 C ASN A 28 -7.994 -10.984 4.045 1.00 0.35 C ATOM 307 O ASN A 28 -9.053 -11.567 4.273 1.00 0.42 O ATOM 308 CB ASN A 28 -5.724 -11.680 4.794 1.00 0.41 C ATOM 309 CG ASN A 28 -5.706 -12.942 5.632 1.00 0.84 C ATOM 310 OD1 ASN A 28 -6.617 -13.201 6.423 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.665 -13.739 5.461 1.00 1.31 N ATOM 0 H ASN A 28 -5.427 -10.567 2.534 1.00 0.28 H new ATOM 0 HA ASN A 28 -7.024 -12.799 3.496 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.731 -11.507 4.378 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.956 -10.826 5.430 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -4.593 -14.606 5.994 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.934 -13.487 4.796 1.00 1.31 H new ATOM 318 N LEU A 29 -7.863 -9.662 4.127 1.00 0.33 N ATOM 319 CA LEU A 29 -8.975 -8.788 4.504 1.00 0.38 C ATOM 320 C LEU A 29 -10.171 -8.929 3.567 1.00 0.40 C ATOM 321 O LEU A 29 -11.319 -8.865 4.006 1.00 0.49 O ATOM 322 CB LEU A 29 -8.530 -7.331 4.517 1.00 0.40 C ATOM 323 CG LEU A 29 -7.760 -6.880 5.760 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.319 -5.444 5.593 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.609 -7.037 7.012 1.00 0.39 C ATOM 0 H LEU A 29 -6.991 -9.168 3.936 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.285 -9.097 5.502 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -7.905 -7.154 3.642 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.413 -6.700 4.411 1.00 0.40 H new ATOM 0 HG LEU A 29 -6.879 -7.512 5.874 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.771 -5.126 6.480 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.674 -5.361 4.719 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.194 -4.808 5.460 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.039 -6.710 7.882 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.510 -6.430 6.919 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.888 -8.084 7.134 1.00 0.39 H new ATOM 337 N GLY A 30 -9.898 -9.103 2.279 1.00 0.35 N ATOM 338 CA GLY A 30 -10.966 -9.233 1.301 1.00 0.43 C ATOM 339 C GLY A 30 -11.892 -10.393 1.603 1.00 0.53 C ATOM 340 O GLY A 30 -13.095 -10.316 1.360 1.00 0.65 O ATOM 0 H GLY A 30 -8.956 -9.157 1.893 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.544 -8.309 1.274 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.532 -9.367 0.310 1.00 0.43 H new ATOM 344 N ASN A 31 -11.324 -11.462 2.153 1.00 0.53 N ATOM 345 CA ASN A 31 -12.089 -12.648 2.516 1.00 0.66 C ATOM 346 C ASN A 31 -12.608 -12.527 3.947 1.00 0.71 C ATOM 347 O ASN A 31 -13.495 -13.267 4.373 1.00 0.84 O ATOM 348 CB ASN A 31 -11.209 -13.892 2.397 1.00 0.70 C ATOM 349 CG ASN A 31 -12.005 -15.121 2.013 1.00 1.17 C ATOM 350 OD1 ASN A 31 -13.087 -15.020 1.436 1.00 1.94 O ATOM 351 ND2 ASN A 31 -11.461 -16.293 2.304 1.00 1.52 N ATOM 0 H ASN A 31 -10.327 -11.530 2.358 1.00 0.53 H new ATOM 0 HA ASN A 31 -12.937 -12.736 1.836 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -10.433 -13.716 1.652 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -10.704 -14.070 3.347 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -11.941 -17.156 2.049 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.562 -16.333 2.784 1.00 1.52 H new ATOM 358 N ARG A 32 -12.050 -11.577 4.683 1.00 0.66 N ATOM 359 CA ARG A 32 -12.436 -11.346 6.067 1.00 0.77 C ATOM 360 C ARG A 32 -13.559 -10.312 6.156 1.00 0.86 C ATOM 361 O ARG A 32 -14.075 -10.023 7.239 1.00 1.01 O ATOM 362 CB ARG A 32 -11.212 -10.876 6.864 1.00 0.76 C ATOM 363 CG ARG A 32 -11.463 -10.694 8.354 1.00 0.91 C ATOM 364 CD ARG A 32 -11.168 -11.964 9.134 1.00 1.14 C ATOM 365 NE ARG A 32 -12.124 -12.163 10.227 1.00 2.09 N ATOM 366 CZ ARG A 32 -11.777 -12.427 11.485 1.00 2.75 C ATOM 367 NH1 ARG A 32 -10.501 -12.572 11.820 1.00 2.70 N ATOM 368 NH2 ARG A 32 -12.712 -12.553 12.417 1.00 3.82 N ATOM 0 H ARG A 32 -11.323 -10.949 4.341 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.808 -12.279 6.490 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.407 -11.598 6.729 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -10.865 -9.930 6.448 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -10.840 -9.883 8.731 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -12.500 -10.401 8.515 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -11.201 -12.821 8.461 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.157 -11.916 9.539 1.00 1.14 H new ATOM 0 HE ARG A 32 -13.118 -12.095 10.010 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -9.774 -12.481 11.110 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -10.247 -12.774 12.787 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -13.696 -12.448 12.170 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -12.447 -12.755 13.381 1.00 3.82 H new ATOM 382 N MET A 33 -13.924 -9.749 5.016 1.00 0.83 N ATOM 383 CA MET A 33 -14.973 -8.741 4.964 1.00 0.96 C ATOM 384 C MET A 33 -16.334 -9.347 5.292 1.00 1.17 C ATOM 385 O MET A 33 -17.027 -8.873 6.198 1.00 1.55 O ATOM 386 CB MET A 33 -15.002 -8.071 3.586 1.00 0.80 C ATOM 387 CG MET A 33 -16.269 -7.268 3.319 1.00 0.95 C ATOM 388 SD MET A 33 -15.982 -5.488 3.316 1.00 1.18 S ATOM 389 CE MET A 33 -17.574 -4.888 3.885 1.00 1.84 C ATOM 0 H MET A 33 -13.509 -9.973 4.112 1.00 0.83 H new ATOM 0 HA MET A 33 -14.752 -7.984 5.716 1.00 0.96 H new ATOM 0 HB2 MET A 33 -14.139 -7.411 3.495 1.00 0.80 H new ATOM 0 HB3 MET A 33 -14.900 -8.837 2.818 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.686 -7.566 2.357 1.00 0.95 H new ATOM 0 HG3 MET A 33 -17.013 -7.510 4.078 1.00 0.95 H new ATOM 0 HE1 MET A 33 -17.555 -3.799 3.936 1.00 1.84 H new ATOM 0 HE2 MET A 33 -18.352 -5.205 3.191 1.00 1.84 H new ATOM 0 HE3 MET A 33 -17.783 -5.294 4.875 1.00 1.84 H new ATOM 399 N VAL A 34 -16.686 -10.406 4.567 1.00 1.22 N ATOM 400 CA VAL A 34 -17.946 -11.114 4.753 1.00 1.41 C ATOM 401 C VAL A 34 -19.153 -10.183 4.527 1.00 1.54 C ATOM 402 O VAL A 34 -19.525 -9.394 5.400 1.00 1.66 O ATOM 403 CB VAL A 34 -17.990 -11.760 6.141 1.00 1.65 C ATOM 404 CG1 VAL A 34 -19.410 -12.152 6.528 1.00 1.87 C ATOM 405 CG2 VAL A 34 -17.065 -12.967 6.182 1.00 1.64 C ATOM 0 H VAL A 34 -16.100 -10.798 3.830 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.008 -11.905 4.005 1.00 1.41 H new ATOM 0 HB VAL A 34 -17.645 -11.027 6.870 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -19.405 -12.607 7.518 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.042 -11.264 6.540 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.801 -12.866 5.803 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -17.102 -13.420 7.172 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.385 -13.696 5.437 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -16.044 -12.651 5.966 1.00 1.64 H new ATOM 415 N PRO A 35 -19.790 -10.262 3.342 1.00 1.58 N ATOM 416 CA PRO A 35 -19.391 -11.186 2.275 1.00 1.51 C ATOM 417 C PRO A 35 -18.033 -10.827 1.669 1.00 1.32 C ATOM 418 O PRO A 35 -17.681 -9.652 1.577 1.00 1.30 O ATOM 419 CB PRO A 35 -20.507 -11.048 1.225 1.00 1.71 C ATOM 420 CG PRO A 35 -21.596 -10.261 1.875 1.00 1.86 C ATOM 421 CD PRO A 35 -20.946 -9.439 2.947 1.00 1.75 C ATOM 0 HA PRO A 35 -19.274 -12.203 2.649 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -20.141 -10.542 0.332 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.869 -12.027 0.911 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -22.100 -9.623 1.149 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -22.353 -10.922 2.298 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.637 -8.462 2.575 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.621 -9.262 3.785 1.00 1.75 H new ATOM 429 N PRO A 36 -17.254 -11.842 1.259 1.00 1.22 N ATOM 430 CA PRO A 36 -15.930 -11.644 0.667 1.00 1.08 C ATOM 431 C PRO A 36 -15.971 -10.687 -0.517 1.00 1.17 C ATOM 432 O PRO A 36 -16.821 -10.808 -1.402 1.00 1.42 O ATOM 433 CB PRO A 36 -15.529 -13.049 0.206 1.00 1.12 C ATOM 434 CG PRO A 36 -16.302 -13.967 1.086 1.00 1.14 C ATOM 435 CD PRO A 36 -17.609 -13.270 1.343 1.00 1.27 C ATOM 0 HA PRO A 36 -15.228 -11.200 1.373 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -15.774 -13.207 -0.844 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -14.456 -13.209 0.311 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -16.460 -14.932 0.605 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.770 -14.159 2.018 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -18.362 -13.542 0.603 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -18.016 -13.526 2.321 1.00 1.27 H new ATOM 443 N VAL A 37 -15.059 -9.728 -0.519 1.00 0.99 N ATOM 444 CA VAL A 37 -14.989 -8.733 -1.582 1.00 1.08 C ATOM 445 C VAL A 37 -14.422 -9.335 -2.856 1.00 1.24 C ATOM 446 O VAL A 37 -14.688 -8.850 -3.957 1.00 2.02 O ATOM 447 CB VAL A 37 -14.096 -7.531 -1.185 1.00 0.81 C ATOM 448 CG1 VAL A 37 -14.392 -6.319 -2.055 1.00 0.95 C ATOM 449 CG2 VAL A 37 -14.260 -7.188 0.284 1.00 0.81 C ATOM 0 H VAL A 37 -14.352 -9.616 0.208 1.00 0.99 H new ATOM 0 HA VAL A 37 -16.010 -8.390 -1.748 1.00 1.08 H new ATOM 0 HB VAL A 37 -13.059 -7.822 -1.350 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.751 -5.490 -1.754 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -14.201 -6.565 -3.099 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.437 -6.032 -1.935 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.621 -6.341 0.533 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -15.300 -6.929 0.483 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.977 -8.047 0.892 1.00 0.81 H new ATOM 459 N GLY A 38 -13.613 -10.373 -2.707 1.00 1.18 N ATOM 460 CA GLY A 38 -12.999 -10.990 -3.862 1.00 1.27 C ATOM 461 C GLY A 38 -11.722 -10.267 -4.229 1.00 1.09 C ATOM 462 O GLY A 38 -10.655 -10.868 -4.332 1.00 1.23 O ATOM 0 H GLY A 38 -13.372 -10.797 -1.811 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -12.784 -12.038 -3.651 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -13.691 -10.970 -4.704 1.00 1.27 H new ATOM 466 N ASN A 39 -11.850 -8.962 -4.392 1.00 0.92 N ATOM 467 CA ASN A 39 -10.734 -8.093 -4.713 1.00 0.82 C ATOM 468 C ASN A 39 -10.789 -6.879 -3.805 1.00 0.64 C ATOM 469 O ASN A 39 -11.396 -5.866 -4.151 1.00 0.74 O ATOM 470 CB ASN A 39 -10.773 -7.657 -6.180 1.00 0.99 C ATOM 471 CG ASN A 39 -9.394 -7.297 -6.718 1.00 1.44 C ATOM 472 OD1 ASN A 39 -8.421 -8.025 -6.510 1.00 2.12 O ATOM 473 ND2 ASN A 39 -9.298 -6.171 -7.416 1.00 2.13 N ATOM 0 H ASN A 39 -12.740 -8.472 -4.304 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.803 -8.638 -4.558 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -11.197 -8.460 -6.783 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -11.435 -6.798 -6.283 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -8.398 -5.884 -7.800 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -10.125 -5.593 -7.568 1.00 2.13 H new ATOM 480 N PHE A 40 -10.166 -7.016 -2.632 1.00 0.46 N ATOM 481 CA PHE A 40 -10.116 -5.954 -1.625 1.00 0.32 C ATOM 482 C PHE A 40 -9.653 -4.651 -2.275 1.00 0.28 C ATOM 483 O PHE A 40 -10.468 -3.786 -2.598 1.00 0.52 O ATOM 484 CB PHE A 40 -9.158 -6.365 -0.498 1.00 0.24 C ATOM 485 CG PHE A 40 -9.279 -5.561 0.773 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.528 -5.319 1.333 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.161 -5.039 1.404 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.659 -4.580 2.493 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.287 -4.297 2.565 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.469 -4.091 3.129 1.00 0.33 C ATOM 0 H PHE A 40 -9.681 -7.869 -2.353 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.109 -5.798 -1.204 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.329 -7.415 -0.262 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.135 -6.283 -0.865 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.411 -5.715 0.853 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.181 -5.213 0.985 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.634 -4.375 2.911 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.403 -3.876 3.022 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.536 -3.556 4.065 1.00 0.33 H new ATOM 500 N MET A 41 -8.358 -4.531 -2.493 1.00 0.22 N ATOM 501 CA MET A 41 -7.813 -3.359 -3.143 1.00 0.18 C ATOM 502 C MET A 41 -7.167 -3.779 -4.453 1.00 0.20 C ATOM 503 O MET A 41 -6.364 -4.714 -4.484 1.00 0.24 O ATOM 504 CB MET A 41 -6.787 -2.664 -2.255 1.00 0.17 C ATOM 505 CG MET A 41 -6.708 -1.166 -2.462 1.00 0.21 C ATOM 506 SD MET A 41 -8.318 -0.359 -2.378 1.00 0.28 S ATOM 507 CE MET A 41 -8.361 0.165 -0.663 1.00 0.25 C ATOM 0 H MET A 41 -7.665 -5.231 -2.229 1.00 0.22 H new ATOM 0 HA MET A 41 -8.621 -2.653 -3.333 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.030 -2.864 -1.211 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.805 -3.099 -2.443 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.051 -0.734 -1.707 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.255 -0.962 -3.432 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.145 0.911 -0.530 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.566 -0.695 -0.025 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.398 0.598 -0.391 1.00 0.25 H new ATOM 517 N PRO A 42 -7.530 -3.126 -5.564 1.00 0.20 N ATOM 518 CA PRO A 42 -6.984 -3.462 -6.880 1.00 0.24 C ATOM 519 C PRO A 42 -5.488 -3.203 -6.947 1.00 0.21 C ATOM 520 O PRO A 42 -4.974 -2.310 -6.261 1.00 0.20 O ATOM 521 CB PRO A 42 -7.738 -2.541 -7.845 1.00 0.29 C ATOM 522 CG PRO A 42 -8.934 -2.073 -7.081 1.00 0.27 C ATOM 523 CD PRO A 42 -8.511 -2.038 -5.639 1.00 0.23 C ATOM 0 HA PRO A 42 -7.110 -4.518 -7.118 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.116 -1.702 -8.156 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.032 -3.073 -8.750 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.253 -1.087 -7.419 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.778 -2.747 -7.225 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.072 -1.078 -5.369 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.352 -2.204 -4.966 1.00 0.23 H new ATOM 531 N ASP A 43 -4.810 -3.989 -7.770 1.00 0.23 N ATOM 532 CA ASP A 43 -3.365 -3.885 -7.954 1.00 0.23 C ATOM 533 C ASP A 43 -2.941 -2.447 -8.263 1.00 0.22 C ATOM 534 O ASP A 43 -1.883 -1.990 -7.827 1.00 0.23 O ATOM 535 CB ASP A 43 -2.919 -4.808 -9.094 1.00 0.29 C ATOM 536 CG ASP A 43 -1.597 -5.489 -8.809 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.605 -6.560 -8.169 1.00 1.51 O ATOM 538 OD2 ASP A 43 -0.543 -4.952 -9.211 1.00 1.08 O ATOM 0 H ASP A 43 -5.245 -4.720 -8.332 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.886 -4.187 -7.023 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -3.684 -5.565 -9.264 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -2.834 -4.229 -10.013 1.00 0.29 H new ATOM 543 N SER A 44 -3.780 -1.748 -9.017 1.00 0.23 N ATOM 544 CA SER A 44 -3.532 -0.371 -9.407 1.00 0.25 C ATOM 545 C SER A 44 -3.461 0.555 -8.194 1.00 0.23 C ATOM 546 O SER A 44 -2.482 1.291 -8.013 1.00 0.26 O ATOM 547 CB SER A 44 -4.638 0.080 -10.360 1.00 0.32 C ATOM 548 OG SER A 44 -5.650 -0.917 -10.446 1.00 0.57 O ATOM 0 H SER A 44 -4.657 -2.126 -9.376 1.00 0.23 H new ATOM 0 HA SER A 44 -2.565 -0.318 -9.907 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.070 1.018 -10.010 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.221 0.271 -11.349 1.00 0.32 H new ATOM 0 HG SER A 44 -6.354 -0.617 -11.058 1.00 0.57 H new ATOM 554 N ILE A 45 -4.496 0.510 -7.361 1.00 0.21 N ATOM 555 CA ILE A 45 -4.556 1.346 -6.171 1.00 0.21 C ATOM 556 C ILE A 45 -3.451 0.978 -5.182 1.00 0.17 C ATOM 557 O ILE A 45 -2.891 1.849 -4.513 1.00 0.18 O ATOM 558 CB ILE A 45 -5.931 1.234 -5.473 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.065 1.481 -6.482 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.016 2.216 -4.309 1.00 0.25 C ATOM 561 CD1 ILE A 45 -6.989 2.830 -7.166 1.00 0.34 C ATOM 0 H ILE A 45 -5.305 -0.098 -7.490 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.411 2.376 -6.497 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.042 0.225 -5.077 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -7.042 0.698 -7.240 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.022 1.398 -5.967 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -6.990 2.126 -3.827 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.231 1.992 -3.586 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -5.888 3.233 -4.681 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -7.821 2.932 -7.863 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.043 3.621 -6.418 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.048 2.909 -7.710 1.00 0.34 H new ATOM 573 N LEU A 46 -3.136 -0.308 -5.108 1.00 0.16 N ATOM 574 CA LEU A 46 -2.094 -0.791 -4.204 1.00 0.16 C ATOM 575 C LEU A 46 -0.741 -0.178 -4.552 1.00 0.16 C ATOM 576 O LEU A 46 0.061 0.116 -3.668 1.00 0.19 O ATOM 577 CB LEU A 46 -1.997 -2.323 -4.257 1.00 0.18 C ATOM 578 CG LEU A 46 -3.229 -3.086 -3.763 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.136 -4.544 -4.165 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.380 -2.959 -2.257 1.00 0.19 C ATOM 0 H LEU A 46 -3.585 -1.037 -5.662 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.366 -0.487 -3.193 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.798 -2.620 -5.287 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.138 -2.635 -3.663 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.112 -2.648 -4.228 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.018 -5.077 -3.808 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.081 -4.619 -5.251 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.242 -4.986 -3.725 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.263 -3.510 -1.932 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.496 -3.368 -1.767 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.490 -1.908 -1.990 1.00 0.19 H new ATOM 592 N LYS A 47 -0.497 0.015 -5.842 1.00 0.17 N ATOM 593 CA LYS A 47 0.761 0.582 -6.312 1.00 0.19 C ATOM 594 C LYS A 47 0.894 2.064 -5.967 1.00 0.18 C ATOM 595 O LYS A 47 1.908 2.491 -5.409 1.00 0.20 O ATOM 596 CB LYS A 47 0.878 0.414 -7.823 1.00 0.24 C ATOM 597 CG LYS A 47 1.467 -0.919 -8.238 1.00 0.31 C ATOM 598 CD LYS A 47 1.227 -1.187 -9.712 1.00 0.44 C ATOM 599 CE LYS A 47 1.525 -2.633 -10.079 1.00 0.88 C ATOM 600 NZ LYS A 47 0.461 -3.223 -10.939 1.00 0.97 N ATOM 0 H LYS A 47 -1.157 -0.214 -6.585 1.00 0.17 H new ATOM 0 HA LYS A 47 1.561 0.043 -5.805 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.110 0.521 -8.270 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.497 1.217 -8.223 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.538 -0.927 -8.033 1.00 0.31 H new ATOM 0 HG3 LYS A 47 1.023 -1.717 -7.643 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.191 -0.955 -9.960 1.00 0.44 H new ATOM 0 HD3 LYS A 47 1.853 -0.524 -10.309 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.481 -2.685 -10.599 1.00 0.88 H new ATOM 0 HE3 LYS A 47 1.625 -3.225 -9.169 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 -0.222 -3.735 -10.345 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 -0.029 -2.464 -11.454 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.890 -3.882 -11.619 1.00 0.97 H new ATOM 614 N LYS A 48 -0.119 2.852 -6.316 1.00 0.17 N ATOM 615 CA LYS A 48 -0.080 4.290 -6.057 1.00 0.18 C ATOM 616 C LYS A 48 -0.131 4.600 -4.565 1.00 0.18 C ATOM 617 O LYS A 48 0.544 5.515 -4.088 1.00 0.20 O ATOM 618 CB LYS A 48 -1.235 4.988 -6.774 1.00 0.20 C ATOM 619 CG LYS A 48 -2.532 4.199 -6.732 1.00 0.31 C ATOM 620 CD LYS A 48 -3.677 4.958 -7.372 1.00 0.32 C ATOM 621 CE LYS A 48 -3.785 4.660 -8.857 1.00 0.45 C ATOM 622 NZ LYS A 48 -3.768 5.903 -9.671 1.00 0.77 N ATOM 0 H LYS A 48 -0.969 2.525 -6.774 1.00 0.17 H new ATOM 0 HA LYS A 48 0.868 4.666 -6.443 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.398 5.966 -6.320 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -0.957 5.161 -7.814 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.395 3.248 -7.246 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.783 3.968 -5.697 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.612 4.692 -6.878 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.532 6.028 -7.225 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.959 4.016 -9.160 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.706 4.110 -9.052 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -4.390 5.786 -10.496 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.105 6.700 -9.094 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -2.798 6.094 -9.993 1.00 0.77 H new ATOM 636 N MET A 49 -0.927 3.838 -3.832 1.00 0.17 N ATOM 637 CA MET A 49 -1.057 4.043 -2.398 1.00 0.17 C ATOM 638 C MET A 49 0.229 3.638 -1.685 1.00 0.17 C ATOM 639 O MET A 49 0.575 4.202 -0.654 1.00 0.19 O ATOM 640 CB MET A 49 -2.284 3.286 -1.860 1.00 0.17 C ATOM 641 CG MET A 49 -1.970 2.119 -0.939 1.00 0.19 C ATOM 642 SD MET A 49 -3.187 1.945 0.380 1.00 1.07 S ATOM 643 CE MET A 49 -4.460 0.989 -0.441 1.00 0.22 C ATOM 0 H MET A 49 -1.491 3.074 -4.205 1.00 0.17 H new ATOM 0 HA MET A 49 -1.216 5.103 -2.199 1.00 0.17 H new ATOM 0 HB2 MET A 49 -2.920 3.991 -1.324 1.00 0.17 H new ATOM 0 HB3 MET A 49 -2.862 2.915 -2.706 1.00 0.17 H new ATOM 0 HG2 MET A 49 -1.934 1.198 -1.521 1.00 0.19 H new ATOM 0 HG3 MET A 49 -0.981 2.259 -0.502 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.202 0.667 0.290 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.943 1.603 -1.201 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.011 0.114 -0.912 1.00 0.22 H new ATOM 653 N ALA A 50 0.940 2.671 -2.247 1.00 0.16 N ATOM 654 CA ALA A 50 2.191 2.208 -1.659 1.00 0.17 C ATOM 655 C ALA A 50 3.305 3.232 -1.844 1.00 0.18 C ATOM 656 O ALA A 50 4.208 3.334 -1.012 1.00 0.22 O ATOM 657 CB ALA A 50 2.606 0.880 -2.267 1.00 0.19 C ATOM 0 H ALA A 50 0.674 2.192 -3.107 1.00 0.16 H new ATOM 0 HA ALA A 50 2.022 2.075 -0.590 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.542 0.550 -1.816 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.831 0.136 -2.080 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.743 0.999 -3.342 1.00 0.19 H new ATOM 663 N ALA A 51 3.251 3.974 -2.942 1.00 0.18 N ATOM 664 CA ALA A 51 4.274 4.967 -3.237 1.00 0.22 C ATOM 665 C ALA A 51 4.030 6.279 -2.503 1.00 0.24 C ATOM 666 O ALA A 51 4.955 6.863 -1.935 1.00 0.30 O ATOM 667 CB ALA A 51 4.336 5.218 -4.733 1.00 0.25 C ATOM 0 H ALA A 51 2.511 3.907 -3.641 1.00 0.18 H new ATOM 0 HA ALA A 51 5.226 4.568 -2.888 1.00 0.22 H new ATOM 0 HB1 ALA A 51 5.104 5.962 -4.946 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.579 4.289 -5.248 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.370 5.584 -5.081 1.00 0.25 H new ATOM 673 N ILE A 52 2.792 6.749 -2.523 1.00 0.24 N ATOM 674 CA ILE A 52 2.457 8.011 -1.873 1.00 0.28 C ATOM 675 C ILE A 52 2.234 7.834 -0.378 1.00 0.26 C ATOM 676 O ILE A 52 2.624 8.692 0.416 1.00 0.31 O ATOM 677 CB ILE A 52 1.189 8.630 -2.516 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.547 9.296 -3.847 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.506 9.633 -1.586 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.240 8.442 -5.051 1.00 0.37 C ATOM 0 H ILE A 52 2.007 6.282 -2.978 1.00 0.24 H new ATOM 0 HA ILE A 52 3.304 8.682 -2.014 1.00 0.28 H new ATOM 0 HB ILE A 52 0.481 7.821 -2.696 1.00 0.31 H new ATOM 0 HG12 ILE A 52 1.003 10.237 -3.931 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.609 9.541 -3.847 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.377 10.042 -2.077 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.210 9.132 -0.665 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.198 10.442 -1.352 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.519 8.978 -5.958 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.805 7.512 -4.991 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.174 8.218 -5.076 1.00 0.37 H new ATOM 692 N LEU A 53 1.608 6.720 -0.014 1.00 0.21 N ATOM 693 CA LEU A 53 1.306 6.416 1.381 1.00 0.21 C ATOM 694 C LEU A 53 0.519 7.559 2.018 1.00 0.23 C ATOM 695 O LEU A 53 1.029 8.269 2.886 1.00 0.27 O ATOM 696 CB LEU A 53 2.587 6.142 2.173 1.00 0.24 C ATOM 697 CG LEU A 53 3.017 4.676 2.231 1.00 0.26 C ATOM 698 CD1 LEU A 53 3.948 4.445 3.415 1.00 0.41 C ATOM 699 CD2 LEU A 53 1.801 3.773 2.345 1.00 0.35 C ATOM 0 H LEU A 53 1.297 6.006 -0.673 1.00 0.21 H new ATOM 0 HA LEU A 53 0.694 5.515 1.406 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.397 6.724 1.735 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.449 6.504 3.192 1.00 0.24 H new ATOM 0 HG LEU A 53 3.549 4.435 1.311 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.246 3.397 3.444 1.00 0.41 H new ATOM 0 HD12 LEU A 53 4.834 5.072 3.309 1.00 0.41 H new ATOM 0 HD13 LEU A 53 3.431 4.701 4.340 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.123 2.732 2.385 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.250 4.018 3.253 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.156 3.920 1.479 1.00 0.35 H new ATOM 711 N PRO A 54 -0.748 7.750 1.603 1.00 0.24 N ATOM 712 CA PRO A 54 -1.602 8.810 2.142 1.00 0.30 C ATOM 713 C PRO A 54 -1.837 8.644 3.638 1.00 0.40 C ATOM 714 O PRO A 54 -2.523 7.718 4.075 1.00 0.48 O ATOM 715 CB PRO A 54 -2.918 8.660 1.364 1.00 0.36 C ATOM 716 CG PRO A 54 -2.577 7.836 0.167 1.00 0.25 C ATOM 717 CD PRO A 54 -1.449 6.943 0.593 1.00 0.23 C ATOM 0 HA PRO A 54 -1.149 9.795 2.028 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.681 8.174 1.972 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.315 9.632 1.072 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.436 7.251 -0.163 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.281 8.467 -0.671 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.813 6.004 1.009 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.798 6.689 -0.243 1.00 0.23 H new ATOM 725 N MET A 55 -1.249 9.535 4.418 1.00 0.49 N ATOM 726 CA MET A 55 -1.372 9.489 5.869 1.00 0.64 C ATOM 727 C MET A 55 -2.754 9.958 6.314 1.00 0.72 C ATOM 728 O MET A 55 -3.159 9.732 7.454 1.00 1.02 O ATOM 729 CB MET A 55 -0.294 10.356 6.513 1.00 0.80 C ATOM 730 CG MET A 55 0.848 9.558 7.118 1.00 1.07 C ATOM 731 SD MET A 55 0.950 9.731 8.910 1.00 1.66 S ATOM 732 CE MET A 55 -0.312 8.568 9.424 1.00 1.52 C ATOM 0 H MET A 55 -0.678 10.305 4.070 1.00 0.49 H new ATOM 0 HA MET A 55 -1.241 8.456 6.190 1.00 0.64 H new ATOM 0 HB2 MET A 55 0.108 11.038 5.763 1.00 0.80 H new ATOM 0 HB3 MET A 55 -0.749 10.969 7.291 1.00 0.80 H new ATOM 0 HG2 MET A 55 0.723 8.505 6.866 1.00 1.07 H new ATOM 0 HG3 MET A 55 1.788 9.883 6.672 1.00 1.07 H new ATOM 0 HE1 MET A 55 -0.374 8.556 10.512 1.00 1.52 H new ATOM 0 HE2 MET A 55 -1.274 8.868 9.009 1.00 1.52 H new ATOM 0 HE3 MET A 55 -0.056 7.571 9.064 1.00 1.52 H new ATOM 742 N ASN A 56 -3.474 10.609 5.406 1.00 0.66 N ATOM 743 CA ASN A 56 -4.813 11.103 5.701 1.00 0.84 C ATOM 744 C ASN A 56 -5.712 10.973 4.479 1.00 0.69 C ATOM 745 O ASN A 56 -5.221 10.802 3.362 1.00 0.59 O ATOM 746 CB ASN A 56 -4.762 12.562 6.162 1.00 1.13 C ATOM 747 CG ASN A 56 -5.671 12.822 7.349 1.00 1.94 C ATOM 748 OD1 ASN A 56 -5.970 11.916 8.123 1.00 2.68 O ATOM 749 ND2 ASN A 56 -6.114 14.060 7.506 1.00 2.34 N ATOM 0 H ASN A 56 -3.151 10.807 4.459 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.227 10.497 6.507 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -3.737 12.821 6.428 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -5.051 13.212 5.336 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -6.725 14.287 8.290 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -5.844 14.786 6.843 1.00 2.34 H new ATOM 756 N ASP A 57 -7.025 11.052 4.695 1.00 0.76 N ATOM 757 CA ASP A 57 -7.999 10.932 3.606 1.00 0.76 C ATOM 758 C ASP A 57 -7.917 12.132 2.660 1.00 0.73 C ATOM 759 O ASP A 57 -8.443 12.099 1.547 1.00 1.11 O ATOM 760 CB ASP A 57 -9.428 10.787 4.158 1.00 0.96 C ATOM 761 CG ASP A 57 -10.096 9.479 3.750 1.00 1.69 C ATOM 762 OD1 ASP A 57 -9.624 8.398 4.179 1.00 2.68 O ATOM 763 OD2 ASP A 57 -11.081 9.523 2.979 1.00 1.77 O ATOM 0 H ASP A 57 -7.441 11.199 5.615 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.753 10.032 3.042 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.399 10.850 5.246 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -10.033 11.622 3.807 1.00 0.96 H new ATOM 768 N SER A 58 -7.247 13.188 3.099 1.00 0.67 N ATOM 769 CA SER A 58 -7.085 14.388 2.290 1.00 0.72 C ATOM 770 C SER A 58 -6.089 14.138 1.154 1.00 0.66 C ATOM 771 O SER A 58 -6.331 14.503 0.003 1.00 0.77 O ATOM 772 CB SER A 58 -6.619 15.552 3.172 1.00 0.87 C ATOM 773 OG SER A 58 -6.177 15.091 4.444 1.00 1.02 O ATOM 0 H SER A 58 -6.804 13.238 4.017 1.00 0.67 H new ATOM 0 HA SER A 58 -8.046 14.648 1.846 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.810 16.087 2.675 1.00 0.87 H new ATOM 0 HB3 SER A 58 -7.436 16.261 3.303 1.00 0.87 H new ATOM 0 HG SER A 58 -5.884 15.854 4.985 1.00 1.02 H new ATOM 779 N ALA A 59 -4.977 13.490 1.492 1.00 0.58 N ATOM 780 CA ALA A 59 -3.931 13.161 0.524 1.00 0.59 C ATOM 781 C ALA A 59 -4.451 12.180 -0.514 1.00 0.51 C ATOM 782 O ALA A 59 -3.967 12.119 -1.643 1.00 0.59 O ATOM 783 CB ALA A 59 -2.717 12.586 1.239 1.00 0.62 C ATOM 0 H ALA A 59 -4.775 13.178 2.442 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.634 14.075 0.010 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.945 12.345 0.508 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.330 13.319 1.947 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.005 11.681 1.775 1.00 0.62 H new ATOM 789 N PHE A 60 -5.432 11.402 -0.102 1.00 0.40 N ATOM 790 CA PHE A 60 -6.046 10.391 -0.958 1.00 0.37 C ATOM 791 C PHE A 60 -6.541 10.957 -2.292 1.00 0.42 C ATOM 792 O PHE A 60 -6.637 10.224 -3.276 1.00 0.46 O ATOM 793 CB PHE A 60 -7.194 9.715 -0.227 1.00 0.33 C ATOM 794 CG PHE A 60 -6.767 8.482 0.503 1.00 0.26 C ATOM 795 CD1 PHE A 60 -6.025 7.498 -0.126 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.116 8.315 1.826 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.632 6.369 0.564 1.00 0.22 C ATOM 798 CE2 PHE A 60 -6.727 7.195 2.518 1.00 0.37 C ATOM 799 CZ PHE A 60 -5.972 6.181 1.813 1.00 0.24 C ATOM 0 H PHE A 60 -5.831 11.448 0.836 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.269 9.662 -1.190 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.633 10.418 0.481 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.974 9.456 -0.944 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.751 7.614 -1.164 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -7.702 9.074 2.324 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -5.031 5.625 0.062 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -6.978 7.074 3.561 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.689 5.269 2.318 1.00 0.24 H new ATOM 809 N ALA A 61 -6.858 12.249 -2.319 1.00 0.47 N ATOM 810 CA ALA A 61 -7.348 12.898 -3.532 1.00 0.56 C ATOM 811 C ALA A 61 -6.329 12.824 -4.676 1.00 0.58 C ATOM 812 O ALA A 61 -6.705 12.864 -5.849 1.00 0.64 O ATOM 813 CB ALA A 61 -7.714 14.350 -3.243 1.00 0.67 C ATOM 0 H ALA A 61 -6.784 12.869 -1.512 1.00 0.47 H new ATOM 0 HA ALA A 61 -8.239 12.359 -3.854 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -8.078 14.822 -4.156 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -8.493 14.384 -2.481 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.833 14.883 -2.885 1.00 0.67 H new ATOM 819 N THR A 62 -5.037 12.715 -4.348 1.00 0.57 N ATOM 820 CA THR A 62 -4.007 12.647 -5.380 1.00 0.64 C ATOM 821 C THR A 62 -3.796 11.217 -5.880 1.00 0.53 C ATOM 822 O THR A 62 -3.009 10.982 -6.797 1.00 0.57 O ATOM 823 CB THR A 62 -2.663 13.241 -4.921 1.00 0.78 C ATOM 824 OG1 THR A 62 -2.546 13.213 -3.493 1.00 1.03 O ATOM 825 CG2 THR A 62 -2.504 14.677 -5.413 1.00 1.13 C ATOM 0 H THR A 62 -4.687 12.673 -3.391 1.00 0.57 H new ATOM 0 HA THR A 62 -4.378 13.257 -6.204 1.00 0.64 H new ATOM 0 HB THR A 62 -1.874 12.626 -5.353 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.995 12.415 -3.144 1.00 1.03 H new ATOM 0 HG21 THR A 62 -1.546 15.073 -5.075 1.00 1.13 H new ATOM 0 HG22 THR A 62 -2.540 14.695 -6.502 1.00 1.13 H new ATOM 0 HG23 THR A 62 -3.312 15.290 -5.013 1.00 1.13 H new ATOM 833 N LEU A 63 -4.516 10.264 -5.298 1.00 0.44 N ATOM 834 CA LEU A 63 -4.402 8.874 -5.724 1.00 0.40 C ATOM 835 C LEU A 63 -5.064 8.703 -7.084 1.00 0.48 C ATOM 836 O LEU A 63 -4.726 7.802 -7.855 1.00 0.68 O ATOM 837 CB LEU A 63 -5.064 7.927 -4.713 1.00 0.34 C ATOM 838 CG LEU A 63 -4.172 7.410 -3.575 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.748 6.129 -2.997 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.753 7.156 -4.049 1.00 0.27 C ATOM 0 H LEU A 63 -5.178 10.425 -4.539 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.343 8.623 -5.788 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.917 8.442 -4.271 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.457 7.068 -5.257 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.143 8.181 -2.805 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.106 5.773 -2.191 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.747 6.323 -2.607 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.805 5.371 -3.778 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.151 6.791 -3.217 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.763 6.410 -4.844 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.324 8.084 -4.427 1.00 0.27 H new ATOM 852 N GLY A 64 -6.009 9.580 -7.371 1.00 0.63 N ATOM 853 CA GLY A 64 -6.712 9.529 -8.625 1.00 0.76 C ATOM 854 C GLY A 64 -8.202 9.498 -8.411 1.00 0.91 C ATOM 855 O GLY A 64 -8.782 10.465 -7.929 1.00 1.61 O ATOM 0 H GLY A 64 -6.302 10.333 -6.748 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.446 10.396 -9.230 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.403 8.645 -9.183 1.00 0.76 H new ATOM 859 N THR A 65 -8.822 8.393 -8.757 1.00 1.22 N ATOM 860 CA THR A 65 -10.249 8.247 -8.591 1.00 1.52 C ATOM 861 C THR A 65 -10.578 6.925 -7.903 1.00 1.28 C ATOM 862 O THR A 65 -11.084 5.997 -8.538 1.00 1.56 O ATOM 863 CB THR A 65 -10.968 8.316 -9.943 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.011 8.453 -11.010 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.954 9.476 -9.980 1.00 2.55 C ATOM 0 H THR A 65 -8.357 7.578 -9.157 1.00 1.22 H new ATOM 0 HA THR A 65 -10.596 9.070 -7.967 1.00 1.52 H new ATOM 0 HB THR A 65 -11.524 7.388 -10.076 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.482 8.494 -11.868 1.00 2.14 H new ATOM 0 HG21 THR A 65 -12.450 9.501 -10.950 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.699 9.345 -9.195 1.00 2.55 H new ATOM 0 HG23 THR A 65 -11.420 10.413 -9.821 1.00 2.55 H new ATOM 873 N VAL A 66 -10.291 6.839 -6.605 1.00 0.89 N ATOM 874 CA VAL A 66 -10.574 5.623 -5.852 1.00 0.69 C ATOM 875 C VAL A 66 -12.074 5.483 -5.639 1.00 0.68 C ATOM 876 O VAL A 66 -12.734 6.426 -5.207 1.00 0.72 O ATOM 877 CB VAL A 66 -9.846 5.573 -4.488 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.462 4.986 -4.647 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.748 6.940 -3.842 1.00 0.58 C ATOM 0 H VAL A 66 -9.867 7.589 -6.059 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.197 4.790 -6.445 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.441 4.935 -3.834 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -7.965 4.959 -3.677 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.539 3.974 -5.044 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -7.882 5.602 -5.335 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.229 6.855 -2.887 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.194 7.613 -4.497 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.750 7.337 -3.677 1.00 0.58 H new ATOM 889 N GLU A 67 -12.601 4.311 -5.976 1.00 0.72 N ATOM 890 CA GLU A 67 -14.031 4.026 -5.849 1.00 0.79 C ATOM 891 C GLU A 67 -14.559 4.405 -4.473 1.00 0.63 C ATOM 892 O GLU A 67 -13.821 4.352 -3.485 1.00 0.49 O ATOM 893 CB GLU A 67 -14.286 2.543 -6.075 1.00 0.94 C ATOM 894 CG GLU A 67 -15.460 2.236 -6.974 1.00 1.19 C ATOM 895 CD GLU A 67 -15.128 1.148 -7.968 1.00 1.70 C ATOM 896 OE1 GLU A 67 -14.419 1.432 -8.954 1.00 2.16 O ATOM 897 OE2 GLU A 67 -15.581 0.002 -7.776 1.00 2.42 O ATOM 0 H GLU A 67 -12.054 3.533 -6.344 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.550 4.622 -6.600 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -13.390 2.095 -6.504 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -14.450 2.065 -5.109 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.313 1.929 -6.368 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.757 3.139 -7.507 1.00 1.19 H new ATOM 904 N ASP A 68 -15.836 4.766 -4.407 1.00 0.71 N ATOM 905 CA ASP A 68 -16.453 5.136 -3.136 1.00 0.67 C ATOM 906 C ASP A 68 -16.329 3.982 -2.155 1.00 0.54 C ATOM 907 O ASP A 68 -16.055 4.174 -0.969 1.00 0.55 O ATOM 908 CB ASP A 68 -17.927 5.484 -3.331 1.00 0.85 C ATOM 909 CG ASP A 68 -18.376 6.645 -2.465 1.00 1.26 C ATOM 910 OD1 ASP A 68 -18.074 6.642 -1.250 1.00 1.61 O ATOM 911 OD2 ASP A 68 -19.028 7.572 -2.989 1.00 1.72 O ATOM 0 H ASP A 68 -16.461 4.811 -5.212 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.938 6.012 -2.742 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.102 5.729 -4.379 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.536 4.609 -3.102 1.00 0.85 H new ATOM 916 N LYS A 69 -16.513 2.777 -2.678 1.00 0.55 N ATOM 917 CA LYS A 69 -16.410 1.571 -1.874 1.00 0.58 C ATOM 918 C LYS A 69 -14.956 1.296 -1.507 1.00 0.51 C ATOM 919 O LYS A 69 -14.677 0.689 -0.475 1.00 0.60 O ATOM 920 CB LYS A 69 -17.031 0.362 -2.591 1.00 0.71 C ATOM 921 CG LYS A 69 -16.324 -0.049 -3.876 1.00 0.82 C ATOM 922 CD LYS A 69 -17.292 -0.669 -4.872 1.00 1.15 C ATOM 923 CE LYS A 69 -16.872 -2.073 -5.262 1.00 1.53 C ATOM 924 NZ LYS A 69 -16.666 -2.189 -6.727 1.00 1.97 N ATOM 0 H LYS A 69 -16.735 2.611 -3.660 1.00 0.55 H new ATOM 0 HA LYS A 69 -16.974 1.733 -0.956 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.034 -0.487 -1.907 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.072 0.589 -2.822 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.847 0.822 -4.325 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.532 -0.762 -3.645 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.292 -0.695 -4.439 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -17.347 -0.044 -5.764 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -15.951 -2.337 -4.742 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -17.634 -2.784 -4.943 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -16.282 -3.130 -6.950 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -17.575 -2.060 -7.217 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -15.996 -1.458 -7.042 1.00 1.97 H new ATOM 938 N TYR A 70 -14.023 1.768 -2.334 1.00 0.43 N ATOM 939 CA TYR A 70 -12.606 1.573 -2.046 1.00 0.39 C ATOM 940 C TYR A 70 -12.199 2.496 -0.908 1.00 0.33 C ATOM 941 O TYR A 70 -11.457 2.101 -0.014 1.00 0.34 O ATOM 942 CB TYR A 70 -11.728 1.840 -3.275 1.00 0.47 C ATOM 943 CG TYR A 70 -11.933 0.873 -4.422 1.00 0.60 C ATOM 944 CD1 TYR A 70 -12.770 -0.229 -4.301 1.00 1.05 C ATOM 945 CD2 TYR A 70 -11.279 1.068 -5.629 1.00 1.18 C ATOM 946 CE1 TYR A 70 -12.953 -1.107 -5.354 1.00 1.16 C ATOM 947 CE2 TYR A 70 -11.456 0.197 -6.685 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.290 -0.891 -6.543 1.00 0.94 C ATOM 949 OH TYR A 70 -12.467 -1.761 -7.595 1.00 1.11 O ATOM 0 H TYR A 70 -14.220 2.280 -3.194 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.457 0.532 -1.761 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -11.923 2.851 -3.631 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -10.682 1.806 -2.971 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -13.287 -0.403 -3.369 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -10.620 1.916 -5.745 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -13.611 -1.956 -5.245 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -10.943 0.368 -7.620 1.00 1.29 H new ATOM 0 HH TYR A 70 -11.929 -1.465 -8.359 1.00 1.11 H new ATOM 959 N ARG A 71 -12.732 3.710 -0.926 1.00 0.37 N ATOM 960 CA ARG A 71 -12.462 4.678 0.126 1.00 0.46 C ATOM 961 C ARG A 71 -13.137 4.211 1.414 1.00 0.52 C ATOM 962 O ARG A 71 -12.628 4.424 2.515 1.00 0.59 O ATOM 963 CB ARG A 71 -12.988 6.056 -0.273 1.00 0.60 C ATOM 964 CG ARG A 71 -11.930 6.972 -0.864 1.00 0.81 C ATOM 965 CD ARG A 71 -11.981 8.343 -0.222 1.00 0.97 C ATOM 966 NE ARG A 71 -11.470 9.395 -1.103 1.00 1.39 N ATOM 967 CZ ARG A 71 -10.874 10.513 -0.669 1.00 1.96 C ATOM 968 NH1 ARG A 71 -10.682 10.717 0.627 1.00 2.55 N ATOM 969 NH2 ARG A 71 -10.460 11.423 -1.538 1.00 2.53 N ATOM 0 H ARG A 71 -13.355 4.048 -1.660 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.386 4.755 0.282 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -13.792 5.931 -0.998 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.421 6.536 0.604 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -10.942 6.535 -0.718 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -12.083 7.064 -1.939 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -13.010 8.573 0.054 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.399 8.331 0.699 1.00 0.97 H new ATOM 0 HE ARG A 71 -11.574 9.268 -2.110 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -10.989 10.019 1.304 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -10.227 11.572 0.947 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -10.595 11.272 -2.538 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -10.006 12.275 -1.207 1.00 2.53 H new ATOM 983 N ARG A 72 -14.296 3.573 1.255 1.00 0.57 N ATOM 984 CA ARG A 72 -15.067 3.063 2.372 1.00 0.72 C ATOM 985 C ARG A 72 -14.300 1.963 3.115 1.00 0.68 C ATOM 986 O ARG A 72 -14.175 2.011 4.331 1.00 0.82 O ATOM 987 CB ARG A 72 -16.426 2.552 1.869 1.00 0.87 C ATOM 988 CG ARG A 72 -16.945 1.367 2.636 1.00 1.22 C ATOM 989 CD ARG A 72 -17.353 0.242 1.697 1.00 1.78 C ATOM 990 NE ARG A 72 -18.797 0.019 1.697 1.00 2.63 N ATOM 991 CZ ARG A 72 -19.376 -1.152 1.433 1.00 3.47 C ATOM 992 NH1 ARG A 72 -18.644 -2.236 1.199 1.00 3.77 N ATOM 993 NH2 ARG A 72 -20.701 -1.235 1.401 1.00 4.38 N ATOM 0 H ARG A 72 -14.721 3.399 0.344 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.238 3.872 3.082 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -17.154 3.361 1.930 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.337 2.282 0.817 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -16.178 1.011 3.323 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.800 1.668 3.241 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -17.024 0.478 0.685 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -16.845 -0.677 1.991 1.00 1.78 H new ATOM 0 HE ARG A 72 -19.402 0.812 1.913 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -17.626 -2.178 1.220 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -19.100 -3.126 0.998 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -21.268 -0.406 1.578 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -21.151 -2.128 1.200 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.775 0.978 2.389 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.027 -0.105 3.032 1.00 0.70 C ATOM 1009 C ARG A 73 -11.573 0.308 3.282 1.00 0.53 C ATOM 1010 O ARG A 73 -10.804 -0.428 3.903 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.115 -1.409 2.212 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.906 -1.688 1.341 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.063 -1.039 -0.011 1.00 0.71 C ATOM 1014 NE ARG A 73 -12.123 -2.017 -1.096 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.250 -2.542 -1.580 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -14.426 -2.240 -1.045 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -13.187 -3.385 -2.603 1.00 1.44 N ATOM 0 H ARG A 73 -13.850 0.905 1.374 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.485 -0.302 4.001 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.254 -2.245 2.897 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.001 -1.366 1.578 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.006 -1.312 1.828 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.778 -2.764 1.221 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -12.971 -0.436 -0.018 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.228 -0.360 -0.184 1.00 0.71 H new ATOM 0 HE ARG A 73 -11.242 -2.319 -1.512 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.477 -1.599 -0.253 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -15.279 -2.649 -1.425 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -12.284 -3.625 -3.011 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -14.042 -3.793 -2.981 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.210 1.504 2.810 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.859 2.044 2.992 1.00 0.26 C ATOM 1033 C PHE A 74 -9.481 2.025 4.466 1.00 0.22 C ATOM 1034 O PHE A 74 -8.316 1.874 4.814 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.762 3.468 2.440 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.749 3.601 1.335 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.499 3.018 1.465 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.040 4.301 0.172 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.562 3.130 0.462 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.098 4.416 -0.836 1.00 0.32 C ATOM 1041 CZ PHE A 74 -6.858 3.826 -0.690 1.00 0.30 C ATOM 0 H PHE A 74 -11.838 2.121 2.295 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.162 1.415 2.439 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.740 3.775 2.069 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.500 4.149 3.250 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.257 2.469 2.363 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.010 4.760 0.052 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.592 2.671 0.579 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.333 4.966 -1.735 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.122 3.910 -1.476 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.482 2.179 5.323 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.288 2.176 6.767 1.00 0.30 C ATOM 1053 C LYS A 75 -9.615 0.880 7.254 1.00 0.28 C ATOM 1054 O LYS A 75 -8.969 0.865 8.302 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.638 2.353 7.464 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.710 1.370 6.996 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.103 1.893 7.300 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.987 0.825 7.924 1.00 1.28 C ATOM 1059 NZ LYS A 75 -15.801 1.378 9.042 1.00 1.72 N ATOM 0 H LYS A 75 -11.452 2.310 5.036 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.626 3.005 7.018 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.499 2.239 8.539 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.993 3.370 7.295 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.608 1.200 5.924 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.564 0.408 7.487 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.031 2.745 7.976 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.564 2.254 6.380 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -15.647 0.407 7.164 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -14.367 0.008 8.293 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.393 0.624 9.446 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -15.170 1.755 9.778 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.409 2.142 8.684 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.753 -0.200 6.489 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.147 -1.480 6.852 1.00 0.22 C ATOM 1075 C TYR A 76 -7.681 -1.501 6.454 1.00 0.20 C ATOM 1076 O TYR A 76 -6.928 -2.390 6.846 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.894 -2.628 6.168 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.293 -2.852 6.708 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.499 -3.463 7.940 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.404 -2.446 5.982 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -12.775 -3.664 8.431 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.680 -2.641 6.470 1.00 0.61 C ATOM 1083 CZ TYR A 76 -13.859 -3.250 7.693 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.130 -3.448 8.182 1.00 0.99 O ATOM 0 H TYR A 76 -10.278 -0.215 5.615 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.218 -1.606 7.932 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.955 -2.424 5.099 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.318 -3.546 6.285 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -10.648 -3.786 8.522 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.268 -1.971 5.022 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -12.920 -4.143 9.388 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.535 -2.317 5.895 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.785 -3.099 7.542 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.290 -0.493 5.690 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.916 -0.347 5.235 1.00 0.21 C ATOM 1096 C PHE A 77 -5.239 0.781 5.991 1.00 0.24 C ATOM 1097 O PHE A 77 -4.019 0.890 5.990 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.870 -0.036 3.740 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.588 -1.232 2.878 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.801 -2.283 3.336 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.099 -1.296 1.600 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.555 -3.379 2.531 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -5.857 -2.387 0.795 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.075 -3.425 1.253 1.00 0.24 C ATOM 0 H PHE A 77 -7.915 0.246 5.368 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.396 -1.287 5.421 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.823 0.399 3.440 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -5.104 0.718 3.559 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.379 -2.242 4.329 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.698 -0.479 1.224 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.957 -4.198 2.901 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.281 -2.429 -0.197 1.00 0.26 H new ATOM 0 HZ PHE A 77 -4.870 -4.271 0.614 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.047 1.623 6.627 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.542 2.762 7.384 1.00 0.34 C ATOM 1116 C LYS A 78 -4.560 2.320 8.470 1.00 0.37 C ATOM 1117 O LYS A 78 -3.627 3.050 8.806 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.712 3.522 8.005 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.706 5.005 7.680 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.645 5.345 6.529 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.805 6.216 6.991 1.00 0.98 C ATOM 1122 NZ LYS A 78 -8.642 7.631 6.559 1.00 1.37 N ATOM 0 H LYS A 78 -7.063 1.536 6.632 1.00 0.27 H new ATOM 0 HA LYS A 78 -5.003 3.418 6.700 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.647 3.084 7.655 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.686 3.394 9.087 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.999 5.570 8.565 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.693 5.315 7.424 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -7.090 5.862 5.746 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.032 4.425 6.090 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -9.738 5.820 6.591 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.880 6.174 8.078 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -9.083 8.261 7.259 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -7.630 7.856 6.481 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -9.099 7.767 5.635 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.764 1.117 8.998 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.887 0.577 10.027 1.00 0.46 C ATOM 1138 C ALA A 79 -2.533 0.200 9.437 1.00 0.41 C ATOM 1139 O ALA A 79 -1.506 0.274 10.110 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.528 -0.631 10.686 1.00 0.56 C ATOM 0 H ALA A 79 -5.529 0.499 8.729 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.731 1.347 10.783 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.861 -1.024 11.453 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.473 -0.337 11.143 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.711 -1.400 9.936 1.00 0.56 H new ATOM 1146 N THR A 80 -2.548 -0.204 8.173 1.00 0.31 N ATOM 1147 CA THR A 80 -1.346 -0.602 7.468 1.00 0.30 C ATOM 1148 C THR A 80 -0.609 0.607 6.890 1.00 0.24 C ATOM 1149 O THR A 80 0.611 0.709 6.999 1.00 0.27 O ATOM 1150 CB THR A 80 -1.704 -1.567 6.331 1.00 0.36 C ATOM 1151 OG1 THR A 80 -3.089 -1.930 6.432 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.834 -2.811 6.386 1.00 0.46 C ATOM 0 H THR A 80 -3.397 -0.263 7.611 1.00 0.31 H new ATOM 0 HA THR A 80 -0.689 -1.095 8.184 1.00 0.30 H new ATOM 0 HB THR A 80 -1.526 -1.069 5.378 1.00 0.36 H new ATOM 0 HG1 THR A 80 -3.196 -2.627 7.113 1.00 0.53 H new ATOM 0 HG21 THR A 80 -1.105 -3.481 5.570 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.214 -2.527 6.289 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.985 -3.319 7.338 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.356 1.518 6.282 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.778 2.719 5.690 1.00 0.24 C ATOM 1162 C ILE A 81 -0.038 3.540 6.752 1.00 0.28 C ATOM 1163 O ILE A 81 0.995 4.147 6.470 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.866 3.582 5.001 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.687 2.734 4.021 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.244 4.758 4.256 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.902 3.449 3.471 1.00 0.55 C ATOM 0 H ILE A 81 -2.369 1.448 6.185 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.063 2.406 4.929 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.522 3.968 5.781 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.048 2.431 3.192 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -3.009 1.822 4.524 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.030 5.346 3.783 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.696 5.385 4.959 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.561 4.385 3.493 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.433 2.789 2.786 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.563 3.728 4.292 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.586 4.346 2.939 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.559 3.535 7.977 1.00 0.31 N ATOM 1180 CA ALA A 82 0.064 4.266 9.080 1.00 0.39 C ATOM 1181 C ALA A 82 1.270 3.511 9.640 1.00 0.41 C ATOM 1182 O ALA A 82 2.192 4.112 10.192 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.949 4.522 10.182 1.00 0.46 C ATOM 0 H ALA A 82 -1.410 3.034 8.232 1.00 0.31 H new ATOM 0 HA ALA A 82 0.416 5.221 8.689 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.471 5.067 10.996 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.776 5.112 9.786 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.328 3.571 10.555 1.00 0.46 H new ATOM 1189 N ASP A 83 1.259 2.194 9.502 1.00 0.37 N ATOM 1190 CA ASP A 83 2.356 1.366 10.001 1.00 0.42 C ATOM 1191 C ASP A 83 3.519 1.325 9.011 1.00 0.39 C ATOM 1192 O ASP A 83 4.679 1.410 9.408 1.00 0.46 O ATOM 1193 CB ASP A 83 1.871 -0.058 10.279 1.00 0.47 C ATOM 1194 CG ASP A 83 2.972 -0.962 10.812 1.00 0.80 C ATOM 1195 OD1 ASP A 83 3.556 -0.635 11.869 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.254 -2.008 10.186 1.00 1.40 O ATOM 0 H ASP A 83 0.507 1.673 9.051 1.00 0.37 H new ATOM 0 HA ASP A 83 2.708 1.816 10.929 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.054 -0.024 11.000 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.469 -0.486 9.361 1.00 0.47 H new ATOM 1201 N LEU A 84 3.203 1.195 7.725 1.00 0.32 N ATOM 1202 CA LEU A 84 4.219 1.125 6.677 1.00 0.31 C ATOM 1203 C LEU A 84 5.022 2.423 6.574 1.00 0.35 C ATOM 1204 O LEU A 84 6.193 2.403 6.191 1.00 0.42 O ATOM 1205 CB LEU A 84 3.566 0.799 5.335 1.00 0.29 C ATOM 1206 CG LEU A 84 3.109 -0.653 5.186 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.846 -0.735 4.345 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.218 -1.486 4.569 1.00 0.48 C ATOM 0 H LEU A 84 2.244 1.136 7.382 1.00 0.32 H new ATOM 0 HA LEU A 84 4.915 0.330 6.943 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.705 1.453 5.196 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.272 1.028 4.537 1.00 0.29 H new ATOM 0 HG LEU A 84 2.882 -1.051 6.175 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.538 -1.776 4.251 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.052 -0.163 4.825 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.041 -0.324 3.354 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.884 -2.518 4.467 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.469 -1.087 3.586 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.099 -1.452 5.210 1.00 0.48 H new ATOM 1220 N SER A 85 4.408 3.545 6.933 1.00 0.37 N ATOM 1221 CA SER A 85 5.099 4.823 6.883 1.00 0.50 C ATOM 1222 C SER A 85 6.136 4.914 8.002 1.00 0.61 C ATOM 1223 O SER A 85 7.175 5.561 7.860 1.00 0.73 O ATOM 1224 CB SER A 85 4.101 5.974 6.988 1.00 0.57 C ATOM 1225 OG SER A 85 2.933 5.584 7.692 1.00 1.37 O ATOM 0 H SER A 85 3.443 3.594 7.258 1.00 0.37 H new ATOM 0 HA SER A 85 5.615 4.898 5.926 1.00 0.50 H new ATOM 0 HB2 SER A 85 4.569 6.818 7.495 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.829 6.314 5.989 1.00 0.57 H new ATOM 0 HG SER A 85 2.284 5.203 7.064 1.00 1.37 H new ATOM 1231 N LYS A 86 5.853 4.238 9.109 1.00 0.60 N ATOM 1232 CA LYS A 86 6.756 4.215 10.254 1.00 0.74 C ATOM 1233 C LYS A 86 7.862 3.200 10.015 1.00 0.78 C ATOM 1234 O LYS A 86 8.995 3.373 10.465 1.00 0.98 O ATOM 1235 CB LYS A 86 5.987 3.858 11.530 1.00 0.75 C ATOM 1236 CG LYS A 86 5.458 5.066 12.284 1.00 1.29 C ATOM 1237 CD LYS A 86 4.734 4.650 13.553 1.00 1.79 C ATOM 1238 CE LYS A 86 3.224 4.597 13.351 1.00 2.34 C ATOM 1239 NZ LYS A 86 2.670 5.903 12.909 1.00 3.07 N ATOM 0 H LYS A 86 4.999 3.695 9.238 1.00 0.60 H new ATOM 0 HA LYS A 86 7.196 5.205 10.376 1.00 0.74 H new ATOM 0 HB2 LYS A 86 5.151 3.209 11.270 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.641 3.287 12.190 1.00 0.75 H new ATOM 0 HG2 LYS A 86 6.284 5.731 12.535 1.00 1.29 H new ATOM 0 HG3 LYS A 86 4.779 5.629 11.643 1.00 1.29 H new ATOM 0 HD2 LYS A 86 5.093 3.671 13.872 1.00 1.79 H new ATOM 0 HD3 LYS A 86 4.969 5.352 14.353 1.00 1.79 H new ATOM 0 HE2 LYS A 86 2.985 3.834 12.611 1.00 2.34 H new ATOM 0 HE3 LYS A 86 2.745 4.298 14.283 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 1.694 6.001 13.255 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 3.253 6.675 13.292 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 2.675 5.948 11.870 1.00 3.07 H new ATOM 1253 N LYS A 87 7.523 2.141 9.296 1.00 0.75 N ATOM 1254 CA LYS A 87 8.473 1.085 8.978 1.00 0.86 C ATOM 1255 C LYS A 87 9.342 1.484 7.789 1.00 0.93 C ATOM 1256 O LYS A 87 10.356 0.845 7.501 1.00 1.11 O ATOM 1257 CB LYS A 87 7.732 -0.223 8.686 1.00 0.91 C ATOM 1258 CG LYS A 87 6.852 -0.695 9.833 1.00 1.01 C ATOM 1259 CD LYS A 87 7.495 -1.841 10.586 1.00 1.35 C ATOM 1260 CE LYS A 87 6.564 -3.043 10.680 1.00 2.18 C ATOM 1261 NZ LYS A 87 5.426 -2.786 11.595 1.00 2.78 N ATOM 0 H LYS A 87 6.588 1.989 8.918 1.00 0.75 H new ATOM 0 HA LYS A 87 9.123 0.933 9.840 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.115 -0.090 7.797 1.00 0.91 H new ATOM 0 HB3 LYS A 87 8.461 -1.000 8.455 1.00 0.91 H new ATOM 0 HG2 LYS A 87 6.667 0.134 10.517 1.00 1.01 H new ATOM 0 HG3 LYS A 87 5.883 -1.010 9.445 1.00 1.01 H new ATOM 0 HD2 LYS A 87 8.418 -2.133 10.086 1.00 1.35 H new ATOM 0 HD3 LYS A 87 7.767 -1.511 11.589 1.00 1.35 H new ATOM 0 HE2 LYS A 87 6.185 -3.288 9.688 1.00 2.18 H new ATOM 0 HE3 LYS A 87 7.124 -3.910 11.030 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 5.461 -3.456 12.390 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 5.486 -1.814 11.959 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 4.531 -2.908 11.079 1.00 2.78 H new