USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 28 ASN :FLIP amide:sc= 0 X(o=-0.77,f=-0.76) USER MOD Set 1.2: A 30 GLN :FLIP amide:sc= -0.758 F(o=-4.3!,f=-0.76) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.0765! (180deg=-0.923!) USER MOD Single : A 4 ASN : amide:sc= -0.034 K(o=-0.034,f=-0.54) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= 0.00436 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 141:sc= 1.28 USER MOD Single : A 14 GLN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : A 16 THR OG1 : rot -144:sc= 0.154 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0.892 (180deg=0.887) USER MOD Single : A 23 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1.09) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 120:sc= 0.762 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= 1.09 (180deg=-1.54!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= 1.31 (180deg=1.2) USER MOD Single : A 54 THR OG1 : rot 29:sc= 0.0919 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.62) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.798) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.691 K(o=0.69,f=-2.5!) USER MOD Single : A 70 SER OG : rot 140:sc= 0.0483 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc=-0.00977 (180deg=-0.137) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 1.41 (180deg=1.36) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 1.03 (180deg=1.03) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.894) USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= 2.56 (180deg=-0.116) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0109 (180deg=-0.137) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-0.83) USER MOD Single : A 103 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0081) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.609 -4.272 -24.224 1.00 4.11 N ATOM 2 CA MET A 1 14.687 -4.539 -23.085 1.00 50.53 C ATOM 3 C MET A 1 14.924 -3.553 -21.928 1.00 21.54 C ATOM 4 O MET A 1 15.943 -3.613 -21.238 1.00 71.41 O ATOM 5 CB MET A 1 14.839 -5.996 -22.602 1.00 74.22 C ATOM 6 CG MET A 1 16.264 -6.393 -22.233 1.00 10.02 C ATOM 7 SD MET A 1 17.392 -6.273 -23.634 1.00 64.13 S ATOM 8 CE MET A 1 18.947 -6.731 -22.867 1.00 75.22 C ATOM 0 H1 MET A 1 15.169 -4.593 -25.110 1.00 4.11 H new ATOM 0 H2 MET A 1 15.801 -3.252 -24.283 1.00 4.11 H new ATOM 0 H3 MET A 1 16.502 -4.784 -24.075 1.00 4.11 H new ATOM 0 HA MET A 1 13.666 -4.393 -23.437 1.00 50.53 H new ATOM 0 HB2 MET A 1 14.197 -6.147 -21.734 1.00 74.22 H new ATOM 0 HB3 MET A 1 14.480 -6.664 -23.385 1.00 74.22 H new ATOM 0 HG2 MET A 1 16.620 -5.752 -21.427 1.00 10.02 H new ATOM 0 HG3 MET A 1 16.267 -7.415 -21.853 1.00 10.02 H new ATOM 0 HE1 MET A 1 19.742 -6.703 -23.612 1.00 75.22 H new ATOM 0 HE2 MET A 1 19.177 -6.031 -22.064 1.00 75.22 H new ATOM 0 HE3 MET A 1 18.868 -7.738 -22.458 1.00 75.22 H new ATOM 20 N ASP A 2 13.977 -2.636 -21.726 1.00 5.14 N ATOM 21 CA ASP A 2 14.112 -1.600 -20.697 1.00 23.32 C ATOM 22 C ASP A 2 13.521 -2.053 -19.350 1.00 4.00 C ATOM 23 O ASP A 2 12.433 -1.624 -18.958 1.00 0.12 O ATOM 24 CB ASP A 2 13.438 -0.304 -21.164 1.00 31.43 C ATOM 25 CG ASP A 2 13.959 0.161 -22.511 1.00 73.34 C ATOM 26 OD1 ASP A 2 14.979 0.872 -22.546 1.00 13.12 O ATOM 27 OD2 ASP A 2 13.349 -0.187 -23.545 1.00 11.04 O ATOM 0 H ASP A 2 13.109 -2.588 -22.259 1.00 5.14 H new ATOM 0 HA ASP A 2 15.176 -1.419 -20.545 1.00 23.32 H new ATOM 0 HB2 ASP A 2 12.361 -0.459 -21.227 1.00 31.43 H new ATOM 0 HB3 ASP A 2 13.605 0.477 -20.423 1.00 31.43 H new ATOM 32 N LEU A 3 14.252 -2.916 -18.643 1.00 64.54 N ATOM 33 CA LEU A 3 13.813 -3.445 -17.335 1.00 51.34 C ATOM 34 C LEU A 3 13.504 -2.327 -16.321 1.00 40.24 C ATOM 35 O LEU A 3 12.795 -2.546 -15.338 1.00 30.12 O ATOM 36 CB LEU A 3 14.872 -4.399 -16.744 1.00 61.24 C ATOM 37 CG LEU A 3 16.201 -3.760 -16.289 1.00 33.31 C ATOM 38 CD1 LEU A 3 17.062 -4.782 -15.551 1.00 44.23 C ATOM 39 CD2 LEU A 3 16.970 -3.170 -17.472 1.00 44.22 C ATOM 0 H LEU A 3 15.158 -3.270 -18.950 1.00 64.54 H new ATOM 0 HA LEU A 3 12.890 -3.994 -17.519 1.00 51.34 H new ATOM 0 HB2 LEU A 3 14.430 -4.911 -15.889 1.00 61.24 H new ATOM 0 HB3 LEU A 3 15.098 -5.161 -17.490 1.00 61.24 H new ATOM 0 HG LEU A 3 15.961 -2.945 -15.606 1.00 33.31 H new ATOM 0 HD11 LEU A 3 17.995 -4.313 -15.238 1.00 44.23 H new ATOM 0 HD12 LEU A 3 16.526 -5.144 -14.674 1.00 44.23 H new ATOM 0 HD13 LEU A 3 17.281 -5.619 -16.214 1.00 44.23 H new ATOM 0 HD21 LEU A 3 17.901 -2.728 -17.117 1.00 44.22 H new ATOM 0 HD22 LEU A 3 17.194 -3.959 -18.190 1.00 44.22 H new ATOM 0 HD23 LEU A 3 16.364 -2.402 -17.953 1.00 44.22 H new ATOM 51 N ASN A 4 14.034 -1.130 -16.566 1.00 34.01 N ATOM 52 CA ASN A 4 13.803 0.023 -15.687 1.00 50.24 C ATOM 53 C ASN A 4 12.314 0.413 -15.637 1.00 41.30 C ATOM 54 O ASN A 4 11.836 0.962 -14.644 1.00 41.12 O ATOM 55 CB ASN A 4 14.636 1.218 -16.164 1.00 72.45 C ATOM 56 CG ASN A 4 16.114 0.885 -16.272 1.00 75.03 C ATOM 57 OD1 ASN A 4 16.630 0.028 -15.557 1.00 40.41 O ATOM 58 ND2 ASN A 4 16.811 1.555 -17.167 1.00 53.10 N ATOM 0 H ASN A 4 14.630 -0.929 -17.369 1.00 34.01 H new ATOM 0 HA ASN A 4 14.108 -0.261 -14.680 1.00 50.24 H new ATOM 0 HB2 ASN A 4 14.269 1.549 -17.135 1.00 72.45 H new ATOM 0 HB3 ASN A 4 14.503 2.050 -15.472 1.00 72.45 H new ATOM 0 HD21 ASN A 4 17.807 1.369 -17.281 1.00 53.10 H new ATOM 0 HD22 ASN A 4 16.354 2.260 -17.746 1.00 53.10 H new ATOM 65 N ARG A 5 11.589 0.126 -16.717 1.00 71.23 N ATOM 66 CA ARG A 5 10.154 0.434 -16.808 1.00 44.33 C ATOM 67 C ARG A 5 9.316 -0.825 -17.093 1.00 1.33 C ATOM 68 O ARG A 5 8.118 -0.736 -17.363 1.00 31.42 O ATOM 69 CB ARG A 5 9.911 1.468 -17.915 1.00 25.13 C ATOM 70 CG ARG A 5 10.563 1.102 -19.250 1.00 44.41 C ATOM 71 CD ARG A 5 9.963 1.879 -20.420 1.00 64.33 C ATOM 72 NE ARG A 5 8.591 1.464 -20.700 1.00 42.24 N ATOM 73 CZ ARG A 5 8.163 1.087 -21.872 1.00 70.23 C ATOM 74 NH1 ARG A 5 8.941 1.123 -22.905 1.00 30.13 N ATOM 75 NH2 ARG A 5 6.950 0.677 -22.018 1.00 61.42 N ATOM 0 H ARG A 5 11.971 -0.323 -17.549 1.00 71.23 H new ATOM 0 HA ARG A 5 9.843 0.837 -15.844 1.00 44.33 H new ATOM 0 HB2 ARG A 5 8.837 1.583 -18.064 1.00 25.13 H new ATOM 0 HB3 ARG A 5 10.292 2.435 -17.587 1.00 25.13 H new ATOM 0 HG2 ARG A 5 11.633 1.301 -19.196 1.00 44.41 H new ATOM 0 HG3 ARG A 5 10.446 0.033 -19.428 1.00 44.41 H new ATOM 0 HD2 ARG A 5 9.982 2.946 -20.196 1.00 64.33 H new ATOM 0 HD3 ARG A 5 10.576 1.729 -21.308 1.00 64.33 H new ATOM 0 HE ARG A 5 7.924 1.470 -19.928 1.00 42.24 H new ATOM 0 HH11 ARG A 5 9.903 1.449 -22.808 1.00 30.13 H new ATOM 0 HH12 ARG A 5 8.593 0.825 -23.816 1.00 30.13 H new ATOM 0 HH21 ARG A 5 6.322 0.647 -21.215 1.00 61.42 H new ATOM 0 HH22 ARG A 5 6.618 0.383 -22.937 1.00 61.42 H new ATOM 89 N MET A 6 9.951 -1.993 -17.030 1.00 25.14 N ATOM 90 CA MET A 6 9.278 -3.265 -17.341 1.00 52.14 C ATOM 91 C MET A 6 9.404 -4.272 -16.187 1.00 24.21 C ATOM 92 O MET A 6 10.489 -4.482 -15.646 1.00 0.31 O ATOM 93 CB MET A 6 9.856 -3.864 -18.631 1.00 33.25 C ATOM 94 CG MET A 6 9.629 -2.991 -19.858 1.00 42.44 C ATOM 95 SD MET A 6 10.433 -3.636 -21.338 1.00 4.11 S ATOM 96 CE MET A 6 9.912 -2.423 -22.553 1.00 11.42 C ATOM 0 H MET A 6 10.932 -2.092 -16.767 1.00 25.14 H new ATOM 0 HA MET A 6 8.218 -3.055 -17.482 1.00 52.14 H new ATOM 0 HB2 MET A 6 10.926 -4.024 -18.501 1.00 33.25 H new ATOM 0 HB3 MET A 6 9.406 -4.842 -18.802 1.00 33.25 H new ATOM 0 HG2 MET A 6 8.558 -2.903 -20.042 1.00 42.44 H new ATOM 0 HG3 MET A 6 10.002 -1.987 -19.657 1.00 42.44 H new ATOM 0 HE1 MET A 6 10.328 -2.681 -23.527 1.00 11.42 H new ATOM 0 HE2 MET A 6 8.824 -2.414 -22.615 1.00 11.42 H new ATOM 0 HE3 MET A 6 10.267 -1.436 -22.257 1.00 11.42 H new ATOM 106 N GLY A 7 8.280 -4.889 -15.816 1.00 14.31 N ATOM 107 CA GLY A 7 8.269 -5.844 -14.712 1.00 1.41 C ATOM 108 C GLY A 7 8.338 -5.169 -13.345 1.00 4.31 C ATOM 109 O GLY A 7 8.960 -5.684 -12.413 1.00 51.42 O ATOM 0 H GLY A 7 7.374 -4.744 -16.261 1.00 14.31 H new ATOM 0 HA2 GLY A 7 7.363 -6.447 -14.769 1.00 1.41 H new ATOM 0 HA3 GLY A 7 9.113 -6.525 -14.819 1.00 1.41 H new ATOM 113 N LYS A 8 7.701 -4.005 -13.230 1.00 3.04 N ATOM 114 CA LYS A 8 7.731 -3.211 -11.995 1.00 42.50 C ATOM 115 C LYS A 8 6.448 -3.412 -11.169 1.00 24.01 C ATOM 116 O LYS A 8 5.381 -3.687 -11.721 1.00 12.14 O ATOM 117 CB LYS A 8 7.888 -1.718 -12.334 1.00 42.12 C ATOM 118 CG LYS A 8 9.018 -1.379 -13.316 1.00 52.23 C ATOM 119 CD LYS A 8 10.421 -1.545 -12.717 1.00 1.43 C ATOM 120 CE LYS A 8 10.920 -2.986 -12.763 1.00 11.11 C ATOM 121 NZ LYS A 8 12.305 -3.113 -12.241 1.00 23.11 N ATOM 0 H LYS A 8 7.153 -3.585 -13.981 1.00 3.04 H new ATOM 0 HA LYS A 8 8.581 -3.549 -11.402 1.00 42.50 H new ATOM 0 HB2 LYS A 8 6.948 -1.357 -12.751 1.00 42.12 H new ATOM 0 HB3 LYS A 8 8.058 -1.169 -11.408 1.00 42.12 H new ATOM 0 HG2 LYS A 8 8.929 -2.018 -14.194 1.00 52.23 H new ATOM 0 HG3 LYS A 8 8.896 -0.351 -13.656 1.00 52.23 H new ATOM 0 HD2 LYS A 8 11.119 -0.907 -13.258 1.00 1.43 H new ATOM 0 HD3 LYS A 8 10.412 -1.202 -11.682 1.00 1.43 H new ATOM 0 HE2 LYS A 8 10.253 -3.619 -12.178 1.00 11.11 H new ATOM 0 HE3 LYS A 8 10.885 -3.349 -13.790 1.00 11.11 H new ATOM 0 HZ1 LYS A 8 12.436 -4.060 -11.832 1.00 23.11 H new ATOM 0 HZ2 LYS A 8 12.983 -2.975 -13.018 1.00 23.11 H new ATOM 0 HZ3 LYS A 8 12.467 -2.393 -11.508 1.00 23.11 H new ATOM 135 N ASP A 9 6.559 -3.271 -9.850 1.00 20.43 N ATOM 136 CA ASP A 9 5.390 -3.334 -8.961 1.00 52.41 C ATOM 137 C ASP A 9 4.548 -2.051 -9.037 1.00 62.22 C ATOM 138 O ASP A 9 4.988 -0.982 -8.604 1.00 32.03 O ATOM 139 CB ASP A 9 5.834 -3.555 -7.507 1.00 22.31 C ATOM 140 CG ASP A 9 6.016 -5.011 -7.131 1.00 30.12 C ATOM 141 OD1 ASP A 9 6.015 -5.882 -8.019 1.00 12.20 O ATOM 142 OD2 ASP A 9 6.143 -5.291 -5.921 1.00 3.32 O ATOM 0 H ASP A 9 7.444 -3.112 -9.369 1.00 20.43 H new ATOM 0 HA ASP A 9 4.778 -4.172 -9.295 1.00 52.41 H new ATOM 0 HB2 ASP A 9 6.773 -3.028 -7.341 1.00 22.31 H new ATOM 0 HB3 ASP A 9 5.096 -3.108 -6.841 1.00 22.31 H new ATOM 147 N GLU A 10 3.335 -2.160 -9.577 1.00 74.01 N ATOM 148 CA GLU A 10 2.410 -1.023 -9.628 1.00 73.45 C ATOM 149 C GLU A 10 1.264 -1.188 -8.608 1.00 2.31 C ATOM 150 O GLU A 10 0.520 -2.176 -8.635 1.00 25.24 O ATOM 151 CB GLU A 10 1.854 -0.837 -11.052 1.00 74.32 C ATOM 152 CG GLU A 10 1.065 -2.027 -11.595 1.00 74.33 C ATOM 153 CD GLU A 10 0.450 -1.747 -12.961 1.00 61.35 C ATOM 154 OE1 GLU A 10 -0.536 -0.979 -13.026 1.00 53.11 O ATOM 155 OE2 GLU A 10 0.949 -2.284 -13.974 1.00 64.50 O ATOM 0 H GLU A 10 2.968 -3.020 -9.985 1.00 74.01 H new ATOM 0 HA GLU A 10 2.967 -0.126 -9.358 1.00 73.45 H new ATOM 0 HB2 GLU A 10 1.210 0.043 -11.063 1.00 74.32 H new ATOM 0 HB3 GLU A 10 2.685 -0.632 -11.727 1.00 74.32 H new ATOM 0 HG2 GLU A 10 1.724 -2.892 -11.667 1.00 74.33 H new ATOM 0 HG3 GLU A 10 0.274 -2.286 -10.891 1.00 74.33 H new ATOM 162 N TYR A 11 1.151 -0.227 -7.688 1.00 23.31 N ATOM 163 CA TYR A 11 0.073 -0.223 -6.686 1.00 74.34 C ATOM 164 C TYR A 11 -0.840 1.003 -6.853 1.00 61.35 C ATOM 165 O TYR A 11 -0.360 2.124 -7.026 1.00 70.44 O ATOM 166 CB TYR A 11 0.659 -0.233 -5.262 1.00 5.01 C ATOM 167 CG TYR A 11 1.245 -1.567 -4.828 1.00 22.42 C ATOM 168 CD1 TYR A 11 2.421 -2.052 -5.387 1.00 41.30 C ATOM 169 CD2 TYR A 11 0.620 -2.335 -3.849 1.00 2.22 C ATOM 170 CE1 TYR A 11 2.956 -3.263 -4.984 1.00 43.03 C ATOM 171 CE2 TYR A 11 1.151 -3.545 -3.444 1.00 5.30 C ATOM 172 CZ TYR A 11 2.317 -4.006 -4.013 1.00 1.24 C ATOM 173 OH TYR A 11 2.846 -5.210 -3.610 1.00 54.50 O ATOM 0 H TYR A 11 1.793 0.562 -7.613 1.00 23.31 H new ATOM 0 HA TYR A 11 -0.521 -1.124 -6.841 1.00 74.34 H new ATOM 0 HB2 TYR A 11 1.436 0.528 -5.198 1.00 5.01 H new ATOM 0 HB3 TYR A 11 -0.124 0.051 -4.559 1.00 5.01 H new ATOM 0 HD1 TYR A 11 2.925 -1.475 -6.148 1.00 41.30 H new ATOM 0 HD2 TYR A 11 -0.295 -1.979 -3.399 1.00 2.22 H new ATOM 0 HE1 TYR A 11 3.871 -3.625 -5.428 1.00 43.03 H new ATOM 0 HE2 TYR A 11 0.653 -4.127 -2.683 1.00 5.30 H new ATOM 0 HH TYR A 11 2.274 -5.604 -2.919 1.00 54.50 H new ATOM 183 N TYR A 12 -2.154 0.786 -6.804 1.00 71.13 N ATOM 184 CA TYR A 12 -3.130 1.882 -6.870 1.00 23.14 C ATOM 185 C TYR A 12 -3.557 2.322 -5.461 1.00 63.35 C ATOM 186 O TYR A 12 -4.385 1.676 -4.817 1.00 55.41 O ATOM 187 CB TYR A 12 -4.357 1.458 -7.691 1.00 73.53 C ATOM 188 CG TYR A 12 -4.046 1.182 -9.151 1.00 64.31 C ATOM 189 CD1 TYR A 12 -4.031 2.213 -10.083 1.00 51.31 C ATOM 190 CD2 TYR A 12 -3.764 -0.107 -9.596 1.00 11.11 C ATOM 191 CE1 TYR A 12 -3.747 1.971 -11.414 1.00 34.01 C ATOM 192 CE2 TYR A 12 -3.479 -0.356 -10.925 1.00 32.41 C ATOM 193 CZ TYR A 12 -3.471 0.687 -11.830 1.00 32.21 C ATOM 194 OH TYR A 12 -3.192 0.444 -13.154 1.00 54.34 O ATOM 0 H TYR A 12 -2.572 -0.141 -6.719 1.00 71.13 H new ATOM 0 HA TYR A 12 -2.655 2.730 -7.363 1.00 23.14 H new ATOM 0 HB2 TYR A 12 -4.790 0.563 -7.245 1.00 73.53 H new ATOM 0 HB3 TYR A 12 -5.112 2.242 -7.631 1.00 73.53 H new ATOM 0 HD1 TYR A 12 -4.245 3.222 -9.761 1.00 51.31 H new ATOM 0 HD2 TYR A 12 -3.768 -0.925 -8.891 1.00 11.11 H new ATOM 0 HE1 TYR A 12 -3.742 2.785 -12.124 1.00 34.01 H new ATOM 0 HE2 TYR A 12 -3.263 -1.362 -11.254 1.00 32.41 H new ATOM 0 HH TYR A 12 -2.480 -0.226 -13.221 1.00 54.34 H new ATOM 204 N VAL A 13 -2.979 3.420 -4.981 1.00 50.54 N ATOM 205 CA VAL A 13 -3.239 3.901 -3.618 1.00 62.23 C ATOM 206 C VAL A 13 -3.831 5.323 -3.615 1.00 43.40 C ATOM 207 O VAL A 13 -3.435 6.173 -4.411 1.00 21.41 O ATOM 208 CB VAL A 13 -1.943 3.884 -2.769 1.00 45.41 C ATOM 209 CG1 VAL A 13 -1.402 2.461 -2.624 1.00 11.33 C ATOM 210 CG2 VAL A 13 -0.886 4.798 -3.380 1.00 23.22 C ATOM 0 H VAL A 13 -2.327 3.997 -5.512 1.00 50.54 H new ATOM 0 HA VAL A 13 -3.970 3.222 -3.179 1.00 62.23 H new ATOM 0 HB VAL A 13 -2.188 4.257 -1.775 1.00 45.41 H new ATOM 0 HG11 VAL A 13 -0.492 2.477 -2.024 1.00 11.33 H new ATOM 0 HG12 VAL A 13 -2.149 1.836 -2.134 1.00 11.33 H new ATOM 0 HG13 VAL A 13 -1.179 2.054 -3.610 1.00 11.33 H new ATOM 0 HG21 VAL A 13 0.016 4.771 -2.768 1.00 23.22 H new ATOM 0 HG22 VAL A 13 -0.650 4.458 -4.389 1.00 23.22 H new ATOM 0 HG23 VAL A 13 -1.267 5.819 -3.420 1.00 23.22 H new ATOM 220 N GLN A 14 -4.784 5.576 -2.718 1.00 21.14 N ATOM 221 CA GLN A 14 -5.409 6.902 -2.618 1.00 62.31 C ATOM 222 C GLN A 14 -4.675 7.778 -1.591 1.00 32.30 C ATOM 223 O GLN A 14 -4.268 7.299 -0.529 1.00 32.14 O ATOM 224 CB GLN A 14 -6.898 6.775 -2.241 1.00 53.33 C ATOM 225 CG GLN A 14 -7.151 6.319 -0.805 1.00 42.34 C ATOM 226 CD GLN A 14 -8.631 6.209 -0.452 1.00 21.43 C ATOM 227 OE1 GLN A 14 -9.019 5.424 0.410 1.00 63.23 O ATOM 228 NE2 GLN A 14 -9.473 6.980 -1.115 1.00 51.20 N ATOM 0 H GLN A 14 -5.140 4.889 -2.054 1.00 21.14 H new ATOM 0 HA GLN A 14 -5.336 7.381 -3.594 1.00 62.31 H new ATOM 0 HB2 GLN A 14 -7.382 7.740 -2.393 1.00 53.33 H new ATOM 0 HB3 GLN A 14 -7.373 6.069 -2.922 1.00 53.33 H new ATOM 0 HG2 GLN A 14 -6.676 5.350 -0.651 1.00 42.34 H new ATOM 0 HG3 GLN A 14 -6.674 7.020 -0.120 1.00 42.34 H new ATOM 0 HE21 GLN A 14 -9.124 7.623 -1.826 1.00 51.20 H new ATOM 0 HE22 GLN A 14 -10.472 6.933 -0.916 1.00 51.20 H new ATOM 237 N ILE A 15 -4.494 9.057 -1.917 1.00 71.55 N ATOM 238 CA ILE A 15 -3.857 10.006 -0.994 1.00 72.33 C ATOM 239 C ILE A 15 -4.729 10.234 0.251 1.00 34.33 C ATOM 240 O ILE A 15 -5.906 10.590 0.147 1.00 34.00 O ATOM 241 CB ILE A 15 -3.562 11.362 -1.689 1.00 40.44 C ATOM 242 CG1 ILE A 15 -2.412 11.223 -2.697 1.00 22.24 C ATOM 243 CG2 ILE A 15 -3.252 12.461 -0.674 1.00 20.43 C ATOM 244 CD1 ILE A 15 -1.099 10.787 -2.081 1.00 42.11 C ATOM 0 H ILE A 15 -4.777 9.463 -2.809 1.00 71.55 H new ATOM 0 HA ILE A 15 -2.909 9.566 -0.683 1.00 72.33 H new ATOM 0 HB ILE A 15 -4.464 11.652 -2.228 1.00 40.44 H new ATOM 0 HG12 ILE A 15 -2.699 10.502 -3.462 1.00 22.24 H new ATOM 0 HG13 ILE A 15 -2.266 12.179 -3.199 1.00 22.24 H new ATOM 0 HG21 ILE A 15 -3.051 13.395 -1.199 1.00 20.43 H new ATOM 0 HG22 ILE A 15 -4.106 12.595 -0.010 1.00 20.43 H new ATOM 0 HG23 ILE A 15 -2.377 12.179 -0.088 1.00 20.43 H new ATOM 0 HD11 ILE A 15 -0.339 10.713 -2.859 1.00 42.11 H new ATOM 0 HD12 ILE A 15 -0.786 11.519 -1.336 1.00 42.11 H new ATOM 0 HD13 ILE A 15 -1.226 9.815 -1.604 1.00 42.11 H new ATOM 256 N THR A 16 -4.138 10.018 1.425 1.00 72.33 N ATOM 257 CA THR A 16 -4.856 10.142 2.702 1.00 21.02 C ATOM 258 C THR A 16 -4.888 11.595 3.203 1.00 72.44 C ATOM 259 O THR A 16 -5.935 12.245 3.191 1.00 23.21 O ATOM 260 CB THR A 16 -4.214 9.247 3.794 1.00 53.04 C ATOM 261 OG1 THR A 16 -2.822 9.580 3.954 1.00 43.33 O ATOM 262 CG2 THR A 16 -4.343 7.769 3.441 1.00 11.21 C ATOM 0 H THR A 16 -3.158 9.754 1.523 1.00 72.33 H new ATOM 0 HA THR A 16 -5.878 9.813 2.515 1.00 21.02 H new ATOM 0 HB THR A 16 -4.745 9.429 4.729 1.00 53.04 H new ATOM 0 HG1 THR A 16 -2.310 8.765 4.138 1.00 43.33 H new ATOM 0 HG21 THR A 16 -3.884 7.166 4.225 1.00 11.21 H new ATOM 0 HG22 THR A 16 -5.397 7.507 3.352 1.00 11.21 H new ATOM 0 HG23 THR A 16 -3.840 7.576 2.493 1.00 11.21 H new ATOM 270 N VAL A 17 -3.735 12.095 3.646 1.00 61.10 N ATOM 271 CA VAL A 17 -3.618 13.460 4.172 1.00 55.14 C ATOM 272 C VAL A 17 -2.627 14.298 3.349 1.00 15.42 C ATOM 273 O VAL A 17 -1.658 13.773 2.800 1.00 44.01 O ATOM 274 CB VAL A 17 -3.173 13.456 5.660 1.00 21.32 C ATOM 275 CG1 VAL A 17 -4.214 12.753 6.530 1.00 43.13 C ATOM 276 CG2 VAL A 17 -1.798 12.798 5.819 1.00 32.42 C ATOM 0 H VAL A 17 -2.860 11.572 3.652 1.00 61.10 H new ATOM 0 HA VAL A 17 -4.608 13.910 4.097 1.00 55.14 H new ATOM 0 HB VAL A 17 -3.091 14.491 5.992 1.00 21.32 H new ATOM 0 HG11 VAL A 17 -3.885 12.760 7.569 1.00 43.13 H new ATOM 0 HG12 VAL A 17 -5.168 13.274 6.448 1.00 43.13 H new ATOM 0 HG13 VAL A 17 -4.333 11.723 6.194 1.00 43.13 H new ATOM 0 HG21 VAL A 17 -1.509 12.808 6.870 1.00 32.42 H new ATOM 0 HG22 VAL A 17 -1.844 11.768 5.465 1.00 32.42 H new ATOM 0 HG23 VAL A 17 -1.061 13.349 5.235 1.00 32.42 H new ATOM 286 N ASP A 18 -2.877 15.603 3.267 1.00 42.35 N ATOM 287 CA ASP A 18 -2.003 16.518 2.525 1.00 15.24 C ATOM 288 C ASP A 18 -1.626 17.748 3.370 1.00 22.32 C ATOM 289 O ASP A 18 -2.152 17.955 4.463 1.00 0.13 O ATOM 290 CB ASP A 18 -2.684 16.962 1.223 1.00 23.34 C ATOM 291 CG ASP A 18 -3.916 17.822 1.465 1.00 3.54 C ATOM 292 OD1 ASP A 18 -4.979 17.270 1.817 1.00 32.23 O ATOM 293 OD2 ASP A 18 -3.825 19.057 1.309 1.00 2.21 O ATOM 0 H ASP A 18 -3.679 16.055 3.706 1.00 42.35 H new ATOM 0 HA ASP A 18 -1.085 15.981 2.286 1.00 15.24 H new ATOM 0 HB2 ASP A 18 -1.970 17.520 0.617 1.00 23.34 H new ATOM 0 HB3 ASP A 18 -2.969 16.081 0.649 1.00 23.34 H new ATOM 298 N GLY A 19 -0.709 18.563 2.850 1.00 1.13 N ATOM 299 CA GLY A 19 -0.320 19.800 3.526 1.00 54.00 C ATOM 300 C GLY A 19 0.513 19.604 4.796 1.00 61.41 C ATOM 301 O GLY A 19 0.784 20.566 5.513 1.00 34.35 O ATOM 0 H GLY A 19 -0.225 18.391 1.969 1.00 1.13 H new ATOM 0 HA2 GLY A 19 0.247 20.416 2.828 1.00 54.00 H new ATOM 0 HA3 GLY A 19 -1.222 20.356 3.782 1.00 54.00 H new ATOM 305 N LYS A 20 0.927 18.372 5.082 1.00 35.41 N ATOM 306 CA LYS A 20 1.785 18.108 6.244 1.00 61.40 C ATOM 307 C LYS A 20 3.271 18.283 5.880 1.00 62.15 C ATOM 308 O LYS A 20 3.919 17.344 5.423 1.00 61.14 O ATOM 309 CB LYS A 20 1.538 16.690 6.787 1.00 62.12 C ATOM 310 CG LYS A 20 2.336 16.373 8.051 1.00 5.13 C ATOM 311 CD LYS A 20 2.146 14.928 8.506 1.00 0.45 C ATOM 312 CE LYS A 20 2.928 14.631 9.783 1.00 52.40 C ATOM 313 NZ LYS A 20 2.818 13.206 10.185 1.00 64.44 N ATOM 0 H LYS A 20 0.688 17.546 4.534 1.00 35.41 H new ATOM 0 HA LYS A 20 1.532 18.831 7.020 1.00 61.40 H new ATOM 0 HB2 LYS A 20 0.475 16.571 6.998 1.00 62.12 H new ATOM 0 HB3 LYS A 20 1.793 15.964 6.015 1.00 62.12 H new ATOM 0 HG2 LYS A 20 3.394 16.558 7.866 1.00 5.13 H new ATOM 0 HG3 LYS A 20 2.029 17.047 8.851 1.00 5.13 H new ATOM 0 HD2 LYS A 20 1.086 14.736 8.675 1.00 0.45 H new ATOM 0 HD3 LYS A 20 2.470 14.252 7.715 1.00 0.45 H new ATOM 0 HE2 LYS A 20 3.977 14.885 9.633 1.00 52.40 H new ATOM 0 HE3 LYS A 20 2.559 15.265 10.590 1.00 52.40 H new ATOM 0 HZ1 LYS A 20 3.335 13.055 11.075 1.00 64.44 H new ATOM 0 HZ2 LYS A 20 1.817 12.960 10.321 1.00 64.44 H new ATOM 0 HZ3 LYS A 20 3.225 12.603 9.442 1.00 64.44 H new ATOM 327 N GLU A 21 3.801 19.492 6.061 1.00 44.55 N ATOM 328 CA GLU A 21 5.202 19.777 5.714 1.00 34.15 C ATOM 329 C GLU A 21 6.179 19.130 6.710 1.00 20.43 C ATOM 330 O GLU A 21 5.949 19.136 7.923 1.00 1.03 O ATOM 331 CB GLU A 21 5.447 21.293 5.650 1.00 54.23 C ATOM 332 CG GLU A 21 5.223 22.017 6.974 1.00 12.23 C ATOM 333 CD GLU A 21 5.600 23.489 6.910 1.00 25.13 C ATOM 334 OE1 GLU A 21 4.785 24.299 6.416 1.00 50.24 O ATOM 335 OE2 GLU A 21 6.715 23.844 7.345 1.00 25.24 O ATOM 0 H GLU A 21 3.290 20.288 6.443 1.00 44.55 H new ATOM 0 HA GLU A 21 5.386 19.343 4.731 1.00 34.15 H new ATOM 0 HB2 GLU A 21 6.470 21.471 5.320 1.00 54.23 H new ATOM 0 HB3 GLU A 21 4.789 21.725 4.896 1.00 54.23 H new ATOM 0 HG2 GLU A 21 4.175 21.927 7.260 1.00 12.23 H new ATOM 0 HG3 GLU A 21 5.809 21.530 7.753 1.00 12.23 H new ATOM 342 N VAL A 22 7.269 18.570 6.190 1.00 24.12 N ATOM 343 CA VAL A 22 8.319 17.991 7.029 1.00 22.14 C ATOM 344 C VAL A 22 9.255 19.084 7.584 1.00 11.31 C ATOM 345 O VAL A 22 10.452 19.119 7.293 1.00 32.22 O ATOM 346 CB VAL A 22 9.139 16.916 6.257 1.00 45.11 C ATOM 347 CG1 VAL A 22 8.265 15.706 5.927 1.00 21.11 C ATOM 348 CG2 VAL A 22 9.757 17.493 4.979 1.00 44.14 C ATOM 0 H VAL A 22 7.450 18.504 5.188 1.00 24.12 H new ATOM 0 HA VAL A 22 7.826 17.501 7.869 1.00 22.14 H new ATOM 0 HB VAL A 22 9.953 16.593 6.906 1.00 45.11 H new ATOM 0 HG11 VAL A 22 8.856 14.966 5.388 1.00 21.11 H new ATOM 0 HG12 VAL A 22 7.889 15.266 6.851 1.00 21.11 H new ATOM 0 HG13 VAL A 22 7.426 16.022 5.307 1.00 21.11 H new ATOM 0 HG21 VAL A 22 10.322 16.716 4.465 1.00 44.14 H new ATOM 0 HG22 VAL A 22 8.965 17.858 4.325 1.00 44.14 H new ATOM 0 HG23 VAL A 22 10.424 18.316 5.237 1.00 44.14 H new ATOM 358 N HIS A 23 8.697 19.965 8.411 1.00 21.42 N ATOM 359 CA HIS A 23 9.442 21.091 8.987 1.00 42.22 C ATOM 360 C HIS A 23 10.311 20.626 10.181 1.00 33.01 C ATOM 361 O HIS A 23 10.473 21.348 11.166 1.00 74.21 O ATOM 362 CB HIS A 23 8.443 22.171 9.441 1.00 23.43 C ATOM 363 CG HIS A 23 9.084 23.460 9.848 1.00 11.23 C ATOM 364 ND1 HIS A 23 9.654 24.326 8.943 1.00 14.21 N ATOM 365 CD2 HIS A 23 9.257 24.025 11.067 1.00 71.41 C ATOM 366 CE1 HIS A 23 10.152 25.364 9.585 1.00 53.43 C ATOM 367 NE2 HIS A 23 9.924 25.205 10.870 1.00 31.23 N ATOM 0 H HIS A 23 7.720 19.922 8.702 1.00 21.42 H new ATOM 0 HA HIS A 23 10.110 21.502 8.230 1.00 42.22 H new ATOM 0 HB2 HIS A 23 7.741 22.366 8.630 1.00 23.43 H new ATOM 0 HB3 HIS A 23 7.862 21.785 10.279 1.00 23.43 H new ATOM 0 HD2 HIS A 23 8.931 23.622 12.014 1.00 71.41 H new ATOM 0 HE1 HIS A 23 10.661 26.202 9.132 1.00 53.43 H new ATOM 0 HE2 HIS A 23 10.200 25.857 11.604 1.00 31.23 H new ATOM 376 N SER A 24 10.901 19.434 10.062 1.00 71.40 N ATOM 377 CA SER A 24 11.619 18.796 11.179 1.00 31.22 C ATOM 378 C SER A 24 12.716 19.694 11.768 1.00 44.00 C ATOM 379 O SER A 24 12.737 19.950 12.973 1.00 14.11 O ATOM 380 CB SER A 24 12.241 17.464 10.733 1.00 33.41 C ATOM 381 OG SER A 24 12.826 16.779 11.831 1.00 60.02 O ATOM 0 H SER A 24 10.898 18.886 9.202 1.00 71.40 H new ATOM 0 HA SER A 24 10.878 18.619 11.958 1.00 31.22 H new ATOM 0 HB2 SER A 24 11.476 16.837 10.275 1.00 33.41 H new ATOM 0 HB3 SER A 24 12.998 17.650 9.971 1.00 33.41 H new ATOM 0 HG SER A 24 13.213 15.934 11.521 1.00 60.02 H new ATOM 387 N LYS A 25 13.612 20.188 10.915 1.00 2.02 N ATOM 388 CA LYS A 25 14.751 20.984 11.369 1.00 73.45 C ATOM 389 C LYS A 25 15.414 21.740 10.206 1.00 3.31 C ATOM 390 O LYS A 25 16.259 21.208 9.482 1.00 32.41 O ATOM 391 CB LYS A 25 15.783 20.104 12.100 1.00 3.12 C ATOM 392 CG LYS A 25 16.293 18.917 11.286 1.00 43.41 C ATOM 393 CD LYS A 25 17.338 18.120 12.061 1.00 52.42 C ATOM 394 CE LYS A 25 17.835 16.918 11.269 1.00 63.21 C ATOM 395 NZ LYS A 25 18.769 16.072 12.058 1.00 44.11 N ATOM 0 H LYS A 25 13.571 20.051 9.905 1.00 2.02 H new ATOM 0 HA LYS A 25 14.369 21.724 12.072 1.00 73.45 H new ATOM 0 HB2 LYS A 25 16.633 20.724 12.386 1.00 3.12 H new ATOM 0 HB3 LYS A 25 15.336 19.731 13.022 1.00 3.12 H new ATOM 0 HG2 LYS A 25 15.458 18.267 11.024 1.00 43.41 H new ATOM 0 HG3 LYS A 25 16.725 19.274 10.351 1.00 43.41 H new ATOM 0 HD2 LYS A 25 18.180 18.767 12.306 1.00 52.42 H new ATOM 0 HD3 LYS A 25 16.911 17.782 13.005 1.00 52.42 H new ATOM 0 HE2 LYS A 25 16.983 16.317 10.952 1.00 63.21 H new ATOM 0 HE3 LYS A 25 18.336 17.263 10.365 1.00 63.21 H new ATOM 0 HZ1 LYS A 25 19.081 15.266 11.479 1.00 44.11 H new ATOM 0 HZ2 LYS A 25 19.596 16.637 12.339 1.00 44.11 H new ATOM 0 HZ3 LYS A 25 18.285 15.720 12.908 1.00 44.11 H new ATOM 409 N ALA A 26 14.989 22.979 10.018 1.00 63.21 N ATOM 410 CA ALA A 26 15.635 23.890 9.066 1.00 2.24 C ATOM 411 C ALA A 26 16.864 24.569 9.702 1.00 25.51 C ATOM 412 O ALA A 26 17.457 25.482 9.120 1.00 45.23 O ATOM 413 CB ALA A 26 14.633 24.934 8.583 1.00 74.33 C ATOM 0 H ALA A 26 14.195 23.386 10.512 1.00 63.21 H new ATOM 0 HA ALA A 26 15.980 23.310 8.210 1.00 2.24 H new ATOM 0 HB1 ALA A 26 15.120 25.606 7.877 1.00 74.33 H new ATOM 0 HB2 ALA A 26 13.797 24.436 8.092 1.00 74.33 H new ATOM 0 HB3 ALA A 26 14.265 25.507 9.434 1.00 74.33 H new ATOM 419 N ASP A 27 17.232 24.105 10.901 1.00 31.02 N ATOM 420 CA ASP A 27 18.381 24.632 11.646 1.00 75.10 C ATOM 421 C ASP A 27 19.677 24.561 10.819 1.00 1.14 C ATOM 422 O ASP A 27 20.443 23.598 10.913 1.00 44.42 O ATOM 423 CB ASP A 27 18.553 23.856 12.957 1.00 72.42 C ATOM 424 CG ASP A 27 17.298 23.865 13.814 1.00 62.23 C ATOM 425 OD1 ASP A 27 16.296 23.235 13.416 1.00 32.50 O ATOM 426 OD2 ASP A 27 17.313 24.476 14.903 1.00 74.13 O ATOM 0 H ASP A 27 16.741 23.352 11.383 1.00 31.02 H new ATOM 0 HA ASP A 27 18.184 25.681 11.865 1.00 75.10 H new ATOM 0 HB2 ASP A 27 18.826 22.825 12.731 1.00 72.42 H new ATOM 0 HB3 ASP A 27 19.378 24.287 13.524 1.00 72.42 H new ATOM 431 N ASN A 28 19.903 25.588 10.007 1.00 55.40 N ATOM 432 CA ASN A 28 21.056 25.651 9.105 1.00 33.23 C ATOM 433 C ASN A 28 21.004 26.943 8.281 1.00 71.31 C ATOM 434 O ASN A 28 21.994 27.664 8.166 1.00 32.21 O ATOM 435 CB ASN A 28 21.070 24.435 8.162 1.00 14.24 C ATOM 436 CG ASN A 28 22.400 24.258 7.456 1.00 4.33 C ATOM 437 OD1 ASN A 28 22.577 24.933 6.340 1.00 71.13 O flip ATOM 438 ND2 ASN A 28 23.270 23.526 7.920 1.00 45.32 N flip ATOM 0 H ASN A 28 19.293 26.404 9.953 1.00 55.40 H new ATOM 0 HA ASN A 28 21.966 25.640 9.705 1.00 33.23 H new ATOM 0 HB2 ASN A 28 20.844 23.535 8.733 1.00 14.24 H new ATOM 0 HB3 ASN A 28 20.281 24.548 7.419 1.00 14.24 H new ATOM 0 HD21 ASN A 28 23.099 23.017 8.787 1.00 45.32 H new ATOM 0 HD22 ASN A 28 24.163 23.427 7.438 1.00 45.32 H new ATOM 445 N GLY A 29 19.826 27.228 7.715 1.00 34.22 N ATOM 446 CA GLY A 29 19.653 28.426 6.900 1.00 31.13 C ATOM 447 C GLY A 29 18.540 28.299 5.859 1.00 62.31 C ATOM 448 O GLY A 29 17.787 29.244 5.628 1.00 31.42 O ATOM 0 H GLY A 29 18.990 26.651 7.807 1.00 34.22 H new ATOM 0 HA2 GLY A 29 19.435 29.271 7.552 1.00 31.13 H new ATOM 0 HA3 GLY A 29 20.591 28.649 6.392 1.00 31.13 H new ATOM 452 N GLN A 30 18.439 27.133 5.221 1.00 23.03 N ATOM 453 CA GLN A 30 17.418 26.897 4.182 1.00 30.23 C ATOM 454 C GLN A 30 16.168 26.218 4.763 1.00 50.43 C ATOM 455 O GLN A 30 16.249 25.480 5.744 1.00 52.43 O ATOM 456 CB GLN A 30 17.992 26.037 3.041 1.00 3.14 C ATOM 457 CG GLN A 30 18.710 24.772 3.516 1.00 15.13 C ATOM 458 CD GLN A 30 20.214 24.961 3.713 1.00 1.15 C ATOM 459 OE1 GLN A 30 20.654 26.186 3.938 1.00 70.32 O flip ATOM 460 NE2 GLN A 30 20.982 24.011 3.629 1.00 31.05 N flip ATOM 0 H GLN A 30 19.047 26.334 5.400 1.00 23.03 H new ATOM 0 HA GLN A 30 17.127 27.870 3.787 1.00 30.23 H new ATOM 0 HB2 GLN A 30 17.181 25.752 2.371 1.00 3.14 H new ATOM 0 HB3 GLN A 30 18.688 26.641 2.459 1.00 3.14 H new ATOM 0 HG2 GLN A 30 18.267 24.444 4.456 1.00 15.13 H new ATOM 0 HG3 GLN A 30 18.544 23.976 2.790 1.00 15.13 H new ATOM 0 HE21 GLN A 30 20.618 23.074 3.455 1.00 31.05 H new ATOM 0 HE22 GLN A 30 21.986 24.156 3.733 1.00 31.05 H new ATOM 469 N LYS A 31 15.013 26.461 4.141 1.00 41.13 N ATOM 470 CA LYS A 31 13.747 25.895 4.621 1.00 65.51 C ATOM 471 C LYS A 31 13.552 24.455 4.129 1.00 52.00 C ATOM 472 O LYS A 31 13.693 24.171 2.940 1.00 1.20 O ATOM 473 CB LYS A 31 12.539 26.732 4.158 1.00 24.30 C ATOM 474 CG LYS A 31 12.577 28.210 4.546 1.00 21.43 C ATOM 475 CD LYS A 31 13.403 29.042 3.569 1.00 11.31 C ATOM 476 CE LYS A 31 13.217 30.534 3.800 1.00 62.44 C ATOM 477 NZ LYS A 31 13.948 31.338 2.787 1.00 14.44 N ATOM 0 H LYS A 31 14.926 27.043 3.308 1.00 41.13 H new ATOM 0 HA LYS A 31 13.803 25.906 5.710 1.00 65.51 H new ATOM 0 HB2 LYS A 31 12.464 26.661 3.073 1.00 24.30 H new ATOM 0 HB3 LYS A 31 11.632 26.289 4.570 1.00 24.30 H new ATOM 0 HG2 LYS A 31 11.560 28.600 4.583 1.00 21.43 H new ATOM 0 HG3 LYS A 31 12.994 28.310 5.548 1.00 21.43 H new ATOM 0 HD2 LYS A 31 14.457 28.786 3.675 1.00 11.31 H new ATOM 0 HD3 LYS A 31 13.116 28.794 2.547 1.00 11.31 H new ATOM 0 HE2 LYS A 31 12.156 30.779 3.763 1.00 62.44 H new ATOM 0 HE3 LYS A 31 13.570 30.795 4.797 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 13.800 32.350 2.974 1.00 14.44 H new ATOM 0 HZ2 LYS A 31 14.964 31.122 2.839 1.00 14.44 H new ATOM 0 HZ3 LYS A 31 13.593 31.106 1.837 1.00 14.44 H new ATOM 491 N TYR A 32 13.229 23.555 5.050 1.00 42.01 N ATOM 492 CA TYR A 32 12.817 22.195 4.696 1.00 13.13 C ATOM 493 C TYR A 32 11.304 22.049 4.804 1.00 53.33 C ATOM 494 O TYR A 32 10.752 21.998 5.909 1.00 30.22 O ATOM 495 CB TYR A 32 13.525 21.174 5.587 1.00 3.41 C ATOM 496 CG TYR A 32 14.947 20.923 5.151 1.00 42.22 C ATOM 497 CD1 TYR A 32 15.215 19.997 4.156 1.00 71.45 C ATOM 498 CD2 TYR A 32 16.011 21.621 5.708 1.00 62.31 C ATOM 499 CE1 TYR A 32 16.507 19.765 3.728 1.00 55.21 C ATOM 500 CE2 TYR A 32 17.309 21.398 5.283 1.00 43.31 C ATOM 501 CZ TYR A 32 17.550 20.466 4.293 1.00 31.42 C ATOM 502 OH TYR A 32 18.839 20.240 3.858 1.00 70.23 O ATOM 0 H TYR A 32 13.244 23.740 6.053 1.00 42.01 H new ATOM 0 HA TYR A 32 13.104 22.004 3.662 1.00 13.13 H new ATOM 0 HB2 TYR A 32 13.521 21.529 6.617 1.00 3.41 H new ATOM 0 HB3 TYR A 32 12.971 20.235 5.571 1.00 3.41 H new ATOM 0 HD1 TYR A 32 14.400 19.448 3.708 1.00 71.45 H new ATOM 0 HD2 TYR A 32 15.823 22.348 6.484 1.00 62.31 H new ATOM 0 HE1 TYR A 32 16.699 19.037 2.954 1.00 55.21 H new ATOM 0 HE2 TYR A 32 18.127 21.949 5.722 1.00 43.31 H new ATOM 0 HH TYR A 32 19.458 20.814 4.356 1.00 70.23 H new ATOM 512 N LYS A 33 10.632 22.005 3.655 1.00 62.23 N ATOM 513 CA LYS A 33 9.171 21.955 3.621 1.00 12.03 C ATOM 514 C LYS A 33 8.636 21.141 2.426 1.00 65.13 C ATOM 515 O LYS A 33 8.269 21.704 1.390 1.00 32.34 O ATOM 516 CB LYS A 33 8.588 23.381 3.575 1.00 50.31 C ATOM 517 CG LYS A 33 8.767 24.190 4.861 1.00 30.34 C ATOM 518 CD LYS A 33 8.629 25.687 4.602 1.00 53.00 C ATOM 519 CE LYS A 33 8.595 26.510 5.885 1.00 24.31 C ATOM 520 NZ LYS A 33 7.282 26.414 6.579 1.00 2.42 N ATOM 0 H LYS A 33 11.075 22.003 2.736 1.00 62.23 H new ATOM 0 HA LYS A 33 8.851 21.451 4.533 1.00 12.03 H new ATOM 0 HB2 LYS A 33 9.056 23.923 2.753 1.00 50.31 H new ATOM 0 HB3 LYS A 33 7.524 23.316 3.349 1.00 50.31 H new ATOM 0 HG2 LYS A 33 8.025 23.877 5.596 1.00 30.34 H new ATOM 0 HG3 LYS A 33 9.748 23.982 5.289 1.00 30.34 H new ATOM 0 HD2 LYS A 33 9.462 26.022 3.983 1.00 53.00 H new ATOM 0 HD3 LYS A 33 7.716 25.870 4.035 1.00 53.00 H new ATOM 0 HE2 LYS A 33 9.384 26.168 6.555 1.00 24.31 H new ATOM 0 HE3 LYS A 33 8.805 27.554 5.651 1.00 24.31 H new ATOM 0 HZ1 LYS A 33 7.209 27.169 7.290 1.00 2.42 H new ATOM 0 HZ2 LYS A 33 6.514 26.517 5.885 1.00 2.42 H new ATOM 0 HZ3 LYS A 33 7.204 25.489 7.047 1.00 2.42 H new ATOM 534 N ASP A 34 8.626 19.818 2.572 1.00 24.24 N ATOM 535 CA ASP A 34 7.940 18.925 1.625 1.00 22.34 C ATOM 536 C ASP A 34 6.783 18.206 2.336 1.00 34.42 C ATOM 537 O ASP A 34 6.885 17.875 3.519 1.00 30.03 O ATOM 538 CB ASP A 34 8.916 17.898 1.038 1.00 12.51 C ATOM 539 CG ASP A 34 10.032 18.549 0.234 1.00 74.21 C ATOM 540 OD1 ASP A 34 9.834 18.804 -0.973 1.00 1.12 O ATOM 541 OD2 ASP A 34 11.115 18.804 0.803 1.00 15.33 O ATOM 0 H ASP A 34 9.087 19.332 3.341 1.00 24.24 H new ATOM 0 HA ASP A 34 7.544 19.526 0.806 1.00 22.34 H new ATOM 0 HB2 ASP A 34 9.350 17.310 1.847 1.00 12.51 H new ATOM 0 HB3 ASP A 34 8.369 17.205 0.399 1.00 12.51 H new ATOM 546 N TYR A 35 5.685 17.969 1.625 1.00 1.35 N ATOM 547 CA TYR A 35 4.488 17.383 2.239 1.00 44.52 C ATOM 548 C TYR A 35 4.597 15.856 2.372 1.00 60.52 C ATOM 549 O TYR A 35 4.963 15.158 1.425 1.00 5.41 O ATOM 550 CB TYR A 35 3.235 17.775 1.444 1.00 25.31 C ATOM 551 CG TYR A 35 3.047 19.278 1.332 1.00 23.01 C ATOM 552 CD1 TYR A 35 3.150 20.096 2.455 1.00 21.54 C ATOM 553 CD2 TYR A 35 2.782 19.882 0.109 1.00 62.32 C ATOM 554 CE1 TYR A 35 2.991 21.466 2.361 1.00 60.35 C ATOM 555 CE2 TYR A 35 2.622 21.253 0.008 1.00 44.43 C ATOM 556 CZ TYR A 35 2.727 22.039 1.135 1.00 72.33 C ATOM 557 OH TYR A 35 2.569 23.404 1.036 1.00 51.44 O ATOM 0 H TYR A 35 5.595 18.171 0.629 1.00 1.35 H new ATOM 0 HA TYR A 35 4.405 17.786 3.248 1.00 44.52 H new ATOM 0 HB2 TYR A 35 3.298 17.347 0.443 1.00 25.31 H new ATOM 0 HB3 TYR A 35 2.358 17.340 1.922 1.00 25.31 H new ATOM 0 HD1 TYR A 35 3.358 19.651 3.417 1.00 21.54 H new ATOM 0 HD2 TYR A 35 2.699 19.271 -0.778 1.00 62.32 H new ATOM 0 HE1 TYR A 35 3.073 22.084 3.243 1.00 60.35 H new ATOM 0 HE2 TYR A 35 2.416 21.705 -0.951 1.00 44.43 H new ATOM 0 HH TYR A 35 2.390 23.646 0.103 1.00 51.44 H new ATOM 567 N GLU A 36 4.265 15.357 3.561 1.00 11.53 N ATOM 568 CA GLU A 36 4.404 13.932 3.898 1.00 42.22 C ATOM 569 C GLU A 36 3.156 13.132 3.491 1.00 31.02 C ATOM 570 O GLU A 36 2.039 13.457 3.897 1.00 24.15 O ATOM 571 CB GLU A 36 4.640 13.785 5.412 1.00 53.15 C ATOM 572 CG GLU A 36 4.872 12.348 5.882 1.00 40.33 C ATOM 573 CD GLU A 36 4.945 12.230 7.400 1.00 31.43 C ATOM 574 OE1 GLU A 36 5.941 12.696 7.995 1.00 74.13 O ATOM 575 OE2 GLU A 36 4.005 11.675 8.011 1.00 32.21 O ATOM 0 H GLU A 36 3.892 15.925 4.322 1.00 11.53 H new ATOM 0 HA GLU A 36 5.254 13.533 3.345 1.00 42.22 H new ATOM 0 HB2 GLU A 36 5.503 14.389 5.693 1.00 53.15 H new ATOM 0 HB3 GLU A 36 3.779 14.193 5.942 1.00 53.15 H new ATOM 0 HG2 GLU A 36 4.067 11.714 5.511 1.00 40.33 H new ATOM 0 HG3 GLU A 36 5.799 11.973 5.448 1.00 40.33 H new ATOM 582 N TYR A 37 3.348 12.089 2.686 1.00 75.11 N ATOM 583 CA TYR A 37 2.243 11.211 2.279 1.00 42.12 C ATOM 584 C TYR A 37 2.490 9.755 2.707 1.00 3.21 C ATOM 585 O TYR A 37 3.345 9.065 2.147 1.00 10.44 O ATOM 586 CB TYR A 37 2.025 11.296 0.764 1.00 21.00 C ATOM 587 CG TYR A 37 1.581 12.672 0.304 1.00 32.13 C ATOM 588 CD1 TYR A 37 0.245 13.044 0.372 1.00 0.21 C ATOM 589 CD2 TYR A 37 2.496 13.605 -0.180 1.00 11.53 C ATOM 590 CE1 TYR A 37 -0.171 14.297 -0.029 1.00 61.43 C ATOM 591 CE2 TYR A 37 2.087 14.864 -0.578 1.00 41.20 C ATOM 592 CZ TYR A 37 0.752 15.204 -0.500 1.00 32.24 C ATOM 593 OH TYR A 37 0.333 16.457 -0.890 1.00 14.02 O ATOM 0 H TYR A 37 4.256 11.828 2.301 1.00 75.11 H new ATOM 0 HA TYR A 37 1.341 11.555 2.785 1.00 42.12 H new ATOM 0 HB2 TYR A 37 2.951 11.030 0.254 1.00 21.00 H new ATOM 0 HB3 TYR A 37 1.276 10.561 0.469 1.00 21.00 H new ATOM 0 HD1 TYR A 37 -0.483 12.339 0.746 1.00 0.21 H new ATOM 0 HD2 TYR A 37 3.541 13.340 -0.245 1.00 11.53 H new ATOM 0 HE1 TYR A 37 -1.216 14.565 0.026 1.00 61.43 H new ATOM 0 HE2 TYR A 37 2.808 15.578 -0.948 1.00 41.20 H new ATOM 0 HH TYR A 37 0.782 17.136 -0.345 1.00 14.02 H new ATOM 603 N LYS A 38 1.733 9.303 3.711 1.00 53.02 N ATOM 604 CA LYS A 38 1.829 7.929 4.216 1.00 70.04 C ATOM 605 C LYS A 38 0.497 7.187 4.019 1.00 23.34 C ATOM 606 O LYS A 38 -0.531 7.555 4.602 1.00 63.51 O ATOM 607 CB LYS A 38 2.214 7.936 5.705 1.00 4.20 C ATOM 608 CG LYS A 38 2.343 6.543 6.321 1.00 53.14 C ATOM 609 CD LYS A 38 2.697 6.604 7.805 1.00 24.53 C ATOM 610 CE LYS A 38 2.800 5.214 8.421 1.00 55.30 C ATOM 611 NZ LYS A 38 3.169 5.277 9.859 1.00 23.41 N ATOM 0 H LYS A 38 1.040 9.875 4.195 1.00 53.02 H new ATOM 0 HA LYS A 38 2.603 7.408 3.653 1.00 70.04 H new ATOM 0 HB2 LYS A 38 3.161 8.463 5.822 1.00 4.20 H new ATOM 0 HB3 LYS A 38 1.465 8.500 6.261 1.00 4.20 H new ATOM 0 HG2 LYS A 38 1.405 6.002 6.194 1.00 53.14 H new ATOM 0 HG3 LYS A 38 3.110 5.981 5.788 1.00 53.14 H new ATOM 0 HD2 LYS A 38 3.644 7.128 7.931 1.00 24.53 H new ATOM 0 HD3 LYS A 38 1.940 7.181 8.336 1.00 24.53 H new ATOM 0 HE2 LYS A 38 1.847 4.696 8.312 1.00 55.30 H new ATOM 0 HE3 LYS A 38 3.544 4.630 7.879 1.00 55.30 H new ATOM 0 HZ1 LYS A 38 3.230 4.313 10.244 1.00 23.41 H new ATOM 0 HZ2 LYS A 38 4.090 5.749 9.961 1.00 23.41 H new ATOM 0 HZ3 LYS A 38 2.446 5.813 10.380 1.00 23.41 H new ATOM 625 N LEU A 39 0.519 6.143 3.199 1.00 44.02 N ATOM 626 CA LEU A 39 -0.695 5.395 2.860 1.00 31.10 C ATOM 627 C LEU A 39 -0.426 3.889 2.714 1.00 44.33 C ATOM 628 O LEU A 39 0.692 3.471 2.423 1.00 23.53 O ATOM 629 CB LEU A 39 -1.322 5.976 1.578 1.00 54.44 C ATOM 630 CG LEU A 39 -0.328 6.424 0.485 1.00 4.40 C ATOM 631 CD1 LEU A 39 0.417 5.236 -0.115 1.00 52.40 C ATOM 632 CD2 LEU A 39 -1.049 7.218 -0.602 1.00 32.11 C ATOM 0 H LEU A 39 1.366 5.791 2.753 1.00 44.02 H new ATOM 0 HA LEU A 39 -1.401 5.505 3.683 1.00 31.10 H new ATOM 0 HB2 LEU A 39 -1.989 5.227 1.151 1.00 54.44 H new ATOM 0 HB3 LEU A 39 -1.939 6.831 1.854 1.00 54.44 H new ATOM 0 HG LEU A 39 0.413 7.072 0.954 1.00 4.40 H new ATOM 0 HD11 LEU A 39 1.108 5.589 -0.881 1.00 52.40 H new ATOM 0 HD12 LEU A 39 0.975 4.723 0.668 1.00 52.40 H new ATOM 0 HD13 LEU A 39 -0.299 4.546 -0.562 1.00 52.40 H new ATOM 0 HD21 LEU A 39 -0.333 7.525 -1.364 1.00 32.11 H new ATOM 0 HD22 LEU A 39 -1.818 6.595 -1.058 1.00 32.11 H new ATOM 0 HD23 LEU A 39 -1.511 8.101 -0.161 1.00 32.11 H new ATOM 644 N THR A 40 -1.457 3.079 2.925 1.00 30.33 N ATOM 645 CA THR A 40 -1.326 1.618 2.845 1.00 32.14 C ATOM 646 C THR A 40 -2.022 1.049 1.601 1.00 60.04 C ATOM 647 O THR A 40 -3.219 1.257 1.393 1.00 33.12 O ATOM 648 CB THR A 40 -1.907 0.933 4.107 1.00 73.45 C ATOM 649 OG1 THR A 40 -1.289 1.481 5.283 1.00 44.43 O ATOM 650 CG2 THR A 40 -1.689 -0.579 4.073 1.00 13.33 C ATOM 0 H THR A 40 -2.396 3.404 3.153 1.00 30.33 H new ATOM 0 HA THR A 40 -0.259 1.407 2.777 1.00 32.14 H new ATOM 0 HB THR A 40 -2.980 1.121 4.128 1.00 73.45 H new ATOM 0 HG1 THR A 40 -1.660 1.047 6.080 1.00 44.43 H new ATOM 0 HG21 THR A 40 -2.109 -1.027 4.973 1.00 13.33 H new ATOM 0 HG22 THR A 40 -2.181 -0.998 3.195 1.00 13.33 H new ATOM 0 HG23 THR A 40 -0.621 -0.792 4.026 1.00 13.33 H new ATOM 658 N GLY A 41 -1.263 0.324 0.778 1.00 42.14 N ATOM 659 CA GLY A 41 -1.813 -0.281 -0.433 1.00 3.44 C ATOM 660 C GLY A 41 -2.037 -1.783 -0.290 1.00 0.03 C ATOM 661 O GLY A 41 -1.124 -2.519 0.089 1.00 32.24 O ATOM 0 H GLY A 41 -0.270 0.143 0.928 1.00 42.14 H new ATOM 0 HA2 GLY A 41 -2.759 0.202 -0.678 1.00 3.44 H new ATOM 0 HA3 GLY A 41 -1.135 -0.096 -1.267 1.00 3.44 H new ATOM 665 N PHE A 42 -3.256 -2.235 -0.586 1.00 41.10 N ATOM 666 CA PHE A 42 -3.605 -3.661 -0.509 1.00 31.11 C ATOM 667 C PHE A 42 -3.658 -4.296 -1.909 1.00 3.52 C ATOM 668 O PHE A 42 -4.596 -4.059 -2.674 1.00 52.25 O ATOM 669 CB PHE A 42 -4.964 -3.841 0.186 1.00 32.42 C ATOM 670 CG PHE A 42 -5.016 -3.287 1.591 1.00 20.25 C ATOM 671 CD1 PHE A 42 -5.286 -1.940 1.815 1.00 43.35 C ATOM 672 CD2 PHE A 42 -4.797 -4.109 2.691 1.00 5.33 C ATOM 673 CE1 PHE A 42 -5.335 -1.430 3.100 1.00 41.34 C ATOM 674 CE2 PHE A 42 -4.846 -3.601 3.977 1.00 1.01 C ATOM 675 CZ PHE A 42 -5.117 -2.261 4.181 1.00 43.55 C ATOM 0 H PHE A 42 -4.024 -1.634 -0.883 1.00 41.10 H new ATOM 0 HA PHE A 42 -2.830 -4.162 0.072 1.00 31.11 H new ATOM 0 HB2 PHE A 42 -5.734 -3.355 -0.413 1.00 32.42 H new ATOM 0 HB3 PHE A 42 -5.207 -4.903 0.216 1.00 32.42 H new ATOM 0 HD1 PHE A 42 -5.460 -1.284 0.975 1.00 43.35 H new ATOM 0 HD2 PHE A 42 -4.586 -5.157 2.540 1.00 5.33 H new ATOM 0 HE1 PHE A 42 -5.544 -0.382 3.258 1.00 41.34 H new ATOM 0 HE2 PHE A 42 -4.672 -4.251 4.821 1.00 1.01 H new ATOM 0 HZ PHE A 42 -5.158 -1.864 5.185 1.00 43.55 H new ATOM 685 N ASP A 43 -2.652 -5.102 -2.237 1.00 72.42 N ATOM 686 CA ASP A 43 -2.581 -5.750 -3.551 1.00 74.03 C ATOM 687 C ASP A 43 -1.586 -6.925 -3.532 1.00 62.42 C ATOM 688 O ASP A 43 -0.912 -7.157 -2.532 1.00 33.31 O ATOM 689 CB ASP A 43 -2.196 -4.714 -4.620 1.00 33.42 C ATOM 690 CG ASP A 43 -2.285 -5.255 -6.036 1.00 63.54 C ATOM 691 OD1 ASP A 43 -3.254 -5.987 -6.339 1.00 72.11 O ATOM 692 OD2 ASP A 43 -1.396 -4.943 -6.852 1.00 13.10 O ATOM 0 H ASP A 43 -1.875 -5.324 -1.615 1.00 72.42 H new ATOM 0 HA ASP A 43 -3.562 -6.157 -3.797 1.00 74.03 H new ATOM 0 HB2 ASP A 43 -2.849 -3.846 -4.528 1.00 33.42 H new ATOM 0 HB3 ASP A 43 -1.179 -4.369 -4.433 1.00 33.42 H new ATOM 697 N LYS A 44 -1.523 -7.671 -4.636 1.00 61.42 N ATOM 698 CA LYS A 44 -0.642 -8.838 -4.761 1.00 72.14 C ATOM 699 C LYS A 44 -0.991 -9.911 -3.715 1.00 63.03 C ATOM 700 O LYS A 44 -0.274 -10.106 -2.734 1.00 53.31 O ATOM 701 CB LYS A 44 0.842 -8.428 -4.656 1.00 73.41 C ATOM 702 CG LYS A 44 1.819 -9.572 -4.926 1.00 52.12 C ATOM 703 CD LYS A 44 3.279 -9.132 -4.795 1.00 41.05 C ATOM 704 CE LYS A 44 3.646 -8.042 -5.799 1.00 44.20 C ATOM 705 NZ LYS A 44 5.099 -7.719 -5.764 1.00 62.22 N ATOM 0 H LYS A 44 -2.080 -7.485 -5.470 1.00 61.42 H new ATOM 0 HA LYS A 44 -0.802 -9.269 -5.749 1.00 72.14 H new ATOM 0 HB2 LYS A 44 1.037 -7.622 -5.363 1.00 73.41 H new ATOM 0 HB3 LYS A 44 1.030 -8.030 -3.659 1.00 73.41 H new ATOM 0 HG2 LYS A 44 1.623 -10.386 -4.228 1.00 52.12 H new ATOM 0 HG3 LYS A 44 1.648 -9.964 -5.929 1.00 52.12 H new ATOM 0 HD2 LYS A 44 3.457 -8.767 -3.784 1.00 41.05 H new ATOM 0 HD3 LYS A 44 3.931 -9.993 -4.942 1.00 41.05 H new ATOM 0 HE2 LYS A 44 3.370 -8.366 -6.803 1.00 44.20 H new ATOM 0 HE3 LYS A 44 3.069 -7.142 -5.585 1.00 44.20 H new ATOM 0 HZ1 LYS A 44 5.226 -6.717 -5.518 1.00 62.22 H new ATOM 0 HZ2 LYS A 44 5.570 -8.313 -5.051 1.00 62.22 H new ATOM 0 HZ3 LYS A 44 5.518 -7.902 -6.698 1.00 62.22 H new ATOM 719 N ASP A 45 -2.138 -10.556 -3.911 1.00 2.15 N ATOM 720 CA ASP A 45 -2.590 -11.659 -3.044 1.00 55.22 C ATOM 721 C ASP A 45 -2.898 -11.197 -1.607 1.00 65.14 C ATOM 722 O ASP A 45 -2.967 -12.011 -0.680 1.00 32.54 O ATOM 723 CB ASP A 45 -1.549 -12.785 -3.027 1.00 72.24 C ATOM 724 CG ASP A 45 -1.452 -13.491 -4.365 1.00 32.43 C ATOM 725 OD1 ASP A 45 -0.689 -13.026 -5.237 1.00 3.03 O ATOM 726 OD2 ASP A 45 -2.143 -14.514 -4.551 1.00 1.43 O ATOM 0 H ASP A 45 -2.783 -10.336 -4.670 1.00 2.15 H new ATOM 0 HA ASP A 45 -3.523 -12.032 -3.466 1.00 55.22 H new ATOM 0 HB2 ASP A 45 -0.575 -12.374 -2.763 1.00 72.24 H new ATOM 0 HB3 ASP A 45 -1.810 -13.508 -2.254 1.00 72.24 H new ATOM 731 N GLY A 46 -3.104 -9.896 -1.430 1.00 13.13 N ATOM 732 CA GLY A 46 -3.482 -9.359 -0.123 1.00 52.43 C ATOM 733 C GLY A 46 -2.318 -8.764 0.668 1.00 45.15 C ATOM 734 O GLY A 46 -2.400 -8.633 1.892 1.00 53.45 O ATOM 0 H GLY A 46 -3.017 -9.197 -2.167 1.00 13.13 H new ATOM 0 HA2 GLY A 46 -4.242 -8.590 -0.264 1.00 52.43 H new ATOM 0 HA3 GLY A 46 -3.939 -10.154 0.466 1.00 52.43 H new ATOM 738 N LYS A 47 -1.235 -8.402 -0.022 1.00 24.13 N ATOM 739 CA LYS A 47 -0.094 -7.734 0.619 1.00 14.24 C ATOM 740 C LYS A 47 -0.466 -6.309 1.050 1.00 30.24 C ATOM 741 O LYS A 47 -0.871 -5.488 0.224 1.00 61.42 O ATOM 742 CB LYS A 47 1.105 -7.679 -0.343 1.00 40.34 C ATOM 743 CG LYS A 47 1.687 -9.040 -0.708 1.00 61.22 C ATOM 744 CD LYS A 47 2.292 -9.754 0.499 1.00 1.12 C ATOM 745 CE LYS A 47 2.936 -11.080 0.102 1.00 52.32 C ATOM 746 NZ LYS A 47 3.507 -11.793 1.272 1.00 51.13 N ATOM 0 H LYS A 47 -1.121 -8.559 -1.023 1.00 24.13 H new ATOM 0 HA LYS A 47 0.177 -8.311 1.503 1.00 14.24 H new ATOM 0 HB2 LYS A 47 0.797 -7.173 -1.258 1.00 40.34 H new ATOM 0 HB3 LYS A 47 1.890 -7.072 0.109 1.00 40.34 H new ATOM 0 HG2 LYS A 47 0.905 -9.663 -1.141 1.00 61.22 H new ATOM 0 HG3 LYS A 47 2.453 -8.912 -1.473 1.00 61.22 H new ATOM 0 HD2 LYS A 47 3.038 -9.112 0.966 1.00 1.12 H new ATOM 0 HD3 LYS A 47 1.516 -9.934 1.243 1.00 1.12 H new ATOM 0 HE2 LYS A 47 2.193 -11.714 -0.381 1.00 52.32 H new ATOM 0 HE3 LYS A 47 3.723 -10.896 -0.630 1.00 52.32 H new ATOM 0 HZ1 LYS A 47 3.934 -12.688 0.959 1.00 51.13 H new ATOM 0 HZ2 LYS A 47 4.235 -11.200 1.719 1.00 51.13 H new ATOM 0 HZ3 LYS A 47 2.752 -11.992 1.960 1.00 51.13 H new ATOM 760 N GLU A 48 -0.342 -6.021 2.343 1.00 4.24 N ATOM 761 CA GLU A 48 -0.590 -4.671 2.853 1.00 30.31 C ATOM 762 C GLU A 48 0.730 -3.925 3.090 1.00 14.03 C ATOM 763 O GLU A 48 1.438 -4.167 4.067 1.00 33.31 O ATOM 764 CB GLU A 48 -1.431 -4.706 4.141 1.00 72.45 C ATOM 765 CG GLU A 48 -0.859 -5.570 5.262 1.00 53.20 C ATOM 766 CD GLU A 48 -1.629 -5.409 6.563 1.00 4.51 C ATOM 767 OE1 GLU A 48 -2.772 -5.911 6.650 1.00 65.41 O ATOM 768 OE2 GLU A 48 -1.108 -4.756 7.498 1.00 51.30 O ATOM 0 H GLU A 48 -0.073 -6.699 3.056 1.00 4.24 H new ATOM 0 HA GLU A 48 -1.159 -4.131 2.096 1.00 30.31 H new ATOM 0 HB2 GLU A 48 -1.545 -3.687 4.510 1.00 72.45 H new ATOM 0 HB3 GLU A 48 -2.429 -5.070 3.896 1.00 72.45 H new ATOM 0 HG2 GLU A 48 -0.879 -6.616 4.958 1.00 53.20 H new ATOM 0 HG3 GLU A 48 0.186 -5.305 5.425 1.00 53.20 H new ATOM 775 N LYS A 49 1.067 -3.028 2.174 1.00 35.33 N ATOM 776 CA LYS A 49 2.303 -2.248 2.276 1.00 62.44 C ATOM 777 C LYS A 49 2.012 -0.807 2.719 1.00 12.31 C ATOM 778 O LYS A 49 1.132 -0.149 2.170 1.00 24.25 O ATOM 779 CB LYS A 49 3.037 -2.233 0.923 1.00 1.43 C ATOM 780 CG LYS A 49 4.391 -1.522 0.957 1.00 70.34 C ATOM 781 CD LYS A 49 5.426 -2.307 1.759 1.00 51.23 C ATOM 782 CE LYS A 49 6.765 -1.577 1.834 1.00 64.31 C ATOM 783 NZ LYS A 49 6.692 -0.330 2.643 1.00 2.23 N ATOM 0 H LYS A 49 0.505 -2.819 1.349 1.00 35.33 H new ATOM 0 HA LYS A 49 2.936 -2.721 3.027 1.00 62.44 H new ATOM 0 HB2 LYS A 49 3.186 -3.260 0.591 1.00 1.43 H new ATOM 0 HB3 LYS A 49 2.402 -1.747 0.182 1.00 1.43 H new ATOM 0 HG2 LYS A 49 4.752 -1.380 -0.062 1.00 70.34 H new ATOM 0 HG3 LYS A 49 4.270 -0.530 1.393 1.00 70.34 H new ATOM 0 HD2 LYS A 49 5.049 -2.478 2.767 1.00 51.23 H new ATOM 0 HD3 LYS A 49 5.572 -3.286 1.303 1.00 51.23 H new ATOM 0 HE2 LYS A 49 7.514 -2.242 2.265 1.00 64.31 H new ATOM 0 HE3 LYS A 49 7.098 -1.333 0.825 1.00 64.31 H new ATOM 0 HZ1 LYS A 49 7.599 -0.177 3.128 1.00 2.23 H new ATOM 0 HZ2 LYS A 49 6.493 0.478 2.019 1.00 2.23 H new ATOM 0 HZ3 LYS A 49 5.933 -0.418 3.348 1.00 2.23 H new ATOM 797 N GLU A 50 2.745 -0.325 3.716 1.00 11.31 N ATOM 798 CA GLU A 50 2.671 1.086 4.114 1.00 40.44 C ATOM 799 C GLU A 50 3.677 1.930 3.309 1.00 65.52 C ATOM 800 O GLU A 50 4.860 2.006 3.641 1.00 2.42 O ATOM 801 CB GLU A 50 2.889 1.257 5.639 1.00 13.13 C ATOM 802 CG GLU A 50 3.675 0.130 6.318 1.00 41.42 C ATOM 803 CD GLU A 50 5.079 -0.063 5.765 1.00 72.35 C ATOM 804 OE1 GLU A 50 6.011 0.633 6.221 1.00 42.22 O ATOM 805 OE2 GLU A 50 5.255 -0.918 4.867 1.00 32.43 O ATOM 0 H GLU A 50 3.397 -0.884 4.266 1.00 11.31 H new ATOM 0 HA GLU A 50 1.667 1.446 3.888 1.00 40.44 H new ATOM 0 HB2 GLU A 50 3.412 2.198 5.811 1.00 13.13 H new ATOM 0 HB3 GLU A 50 1.915 1.341 6.122 1.00 13.13 H new ATOM 0 HG2 GLU A 50 3.741 0.339 7.386 1.00 41.42 H new ATOM 0 HG3 GLU A 50 3.121 -0.802 6.209 1.00 41.42 H new ATOM 812 N LEU A 51 3.202 2.542 2.225 1.00 12.20 N ATOM 813 CA LEU A 51 4.072 3.311 1.329 1.00 52.25 C ATOM 814 C LEU A 51 4.194 4.773 1.791 1.00 0.23 C ATOM 815 O LEU A 51 3.236 5.364 2.298 1.00 73.24 O ATOM 816 CB LEU A 51 3.559 3.259 -0.124 1.00 24.31 C ATOM 817 CG LEU A 51 3.322 1.847 -0.708 1.00 2.44 C ATOM 818 CD1 LEU A 51 1.956 1.301 -0.297 1.00 13.52 C ATOM 819 CD2 LEU A 51 3.459 1.849 -2.229 1.00 2.01 C ATOM 0 H LEU A 51 2.222 2.522 1.944 1.00 12.20 H new ATOM 0 HA LEU A 51 5.060 2.853 1.365 1.00 52.25 H new ATOM 0 HB2 LEU A 51 2.623 3.815 -0.178 1.00 24.31 H new ATOM 0 HB3 LEU A 51 4.276 3.778 -0.760 1.00 24.31 H new ATOM 0 HG LEU A 51 4.089 1.191 -0.297 1.00 2.44 H new ATOM 0 HD11 LEU A 51 1.818 0.307 -0.723 1.00 13.52 H new ATOM 0 HD12 LEU A 51 1.900 1.241 0.790 1.00 13.52 H new ATOM 0 HD13 LEU A 51 1.173 1.965 -0.665 1.00 13.52 H new ATOM 0 HD21 LEU A 51 3.287 0.843 -2.611 1.00 2.01 H new ATOM 0 HD22 LEU A 51 2.726 2.531 -2.659 1.00 2.01 H new ATOM 0 HD23 LEU A 51 4.462 2.175 -2.504 1.00 2.01 H new ATOM 831 N GLU A 52 5.379 5.348 1.609 1.00 73.42 N ATOM 832 CA GLU A 52 5.651 6.725 2.031 1.00 31.21 C ATOM 833 C GLU A 52 6.390 7.501 0.932 1.00 54.20 C ATOM 834 O GLU A 52 7.395 7.031 0.391 1.00 71.51 O ATOM 835 CB GLU A 52 6.464 6.710 3.344 1.00 25.22 C ATOM 836 CG GLU A 52 6.921 8.086 3.842 1.00 33.44 C ATOM 837 CD GLU A 52 8.329 8.456 3.381 1.00 12.43 C ATOM 838 OE1 GLU A 52 9.305 7.961 3.987 1.00 33.43 O ATOM 839 OE2 GLU A 52 8.470 9.239 2.419 1.00 4.44 O ATOM 0 H GLU A 52 6.173 4.881 1.170 1.00 73.42 H new ATOM 0 HA GLU A 52 4.704 7.236 2.208 1.00 31.21 H new ATOM 0 HB2 GLU A 52 5.860 6.242 4.121 1.00 25.22 H new ATOM 0 HB3 GLU A 52 7.343 6.082 3.201 1.00 25.22 H new ATOM 0 HG2 GLU A 52 6.220 8.843 3.491 1.00 33.44 H new ATOM 0 HG3 GLU A 52 6.887 8.101 4.931 1.00 33.44 H new ATOM 846 N PHE A 53 5.879 8.683 0.600 1.00 64.10 N ATOM 847 CA PHE A 53 6.515 9.562 -0.390 1.00 4.04 C ATOM 848 C PHE A 53 6.215 11.041 -0.098 1.00 73.31 C ATOM 849 O PHE A 53 5.068 11.419 0.130 1.00 74.50 O ATOM 850 CB PHE A 53 6.081 9.184 -1.823 1.00 15.33 C ATOM 851 CG PHE A 53 4.586 9.107 -2.037 1.00 64.23 C ATOM 852 CD1 PHE A 53 3.873 7.985 -1.640 1.00 4.43 C ATOM 853 CD2 PHE A 53 3.897 10.145 -2.653 1.00 44.53 C ATOM 854 CE1 PHE A 53 2.513 7.899 -1.846 1.00 1.41 C ATOM 855 CE2 PHE A 53 2.533 10.063 -2.859 1.00 14.15 C ATOM 856 CZ PHE A 53 1.843 8.938 -2.457 1.00 1.22 C ATOM 0 H PHE A 53 5.021 9.060 1.002 1.00 64.10 H new ATOM 0 HA PHE A 53 7.593 9.421 -0.314 1.00 4.04 H new ATOM 0 HB2 PHE A 53 6.495 9.915 -2.517 1.00 15.33 H new ATOM 0 HB3 PHE A 53 6.520 8.219 -2.077 1.00 15.33 H new ATOM 0 HD1 PHE A 53 4.391 7.167 -1.162 1.00 4.43 H new ATOM 0 HD2 PHE A 53 4.434 11.025 -2.974 1.00 44.53 H new ATOM 0 HE1 PHE A 53 1.973 7.019 -1.529 1.00 1.41 H new ATOM 0 HE2 PHE A 53 2.008 10.878 -3.334 1.00 14.15 H new ATOM 0 HZ PHE A 53 0.778 8.871 -2.621 1.00 1.22 H new ATOM 866 N THR A 54 7.259 11.870 -0.081 1.00 43.43 N ATOM 867 CA THR A 54 7.111 13.308 0.184 1.00 72.12 C ATOM 868 C THR A 54 7.137 14.128 -1.114 1.00 55.42 C ATOM 869 O THR A 54 8.038 13.974 -1.945 1.00 25.22 O ATOM 870 CB THR A 54 8.217 13.827 1.140 1.00 21.34 C ATOM 871 OG1 THR A 54 9.524 13.511 0.622 1.00 23.31 O ATOM 872 CG2 THR A 54 8.061 13.224 2.533 1.00 14.31 C ATOM 0 H THR A 54 8.220 11.573 -0.248 1.00 43.43 H new ATOM 0 HA THR A 54 6.140 13.436 0.663 1.00 72.12 H new ATOM 0 HB THR A 54 8.112 14.910 1.212 1.00 21.34 H new ATOM 0 HG1 THR A 54 9.486 13.468 -0.356 1.00 23.31 H new ATOM 0 HG21 THR A 54 8.848 13.604 3.184 1.00 14.31 H new ATOM 0 HG22 THR A 54 7.088 13.499 2.942 1.00 14.31 H new ATOM 0 HG23 THR A 54 8.135 12.138 2.470 1.00 14.31 H new ATOM 880 N ALA A 55 6.147 15.004 -1.279 1.00 65.13 N ATOM 881 CA ALA A 55 6.022 15.823 -2.493 1.00 34.54 C ATOM 882 C ALA A 55 6.215 17.317 -2.194 1.00 73.13 C ATOM 883 O ALA A 55 5.809 17.806 -1.141 1.00 21.53 O ATOM 884 CB ALA A 55 4.662 15.589 -3.149 1.00 44.22 C ATOM 0 H ALA A 55 5.416 15.168 -0.587 1.00 65.13 H new ATOM 0 HA ALA A 55 6.811 15.518 -3.180 1.00 34.54 H new ATOM 0 HB1 ALA A 55 4.581 16.201 -4.047 1.00 44.22 H new ATOM 0 HB2 ALA A 55 4.563 14.537 -3.417 1.00 44.22 H new ATOM 0 HB3 ALA A 55 3.870 15.862 -2.452 1.00 44.22 H new ATOM 890 N GLN A 56 6.828 18.037 -3.136 1.00 72.40 N ATOM 891 CA GLN A 56 7.082 19.479 -2.977 1.00 14.02 C ATOM 892 C GLN A 56 5.778 20.291 -2.895 1.00 44.34 C ATOM 893 O GLN A 56 5.735 21.354 -2.272 1.00 23.12 O ATOM 894 CB GLN A 56 7.931 20.005 -4.143 1.00 13.42 C ATOM 895 CG GLN A 56 7.249 19.874 -5.503 1.00 34.31 C ATOM 896 CD GLN A 56 8.102 20.384 -6.650 1.00 2.13 C ATOM 897 OE1 GLN A 56 8.884 19.646 -7.235 1.00 33.54 O ATOM 898 NE2 GLN A 56 7.963 21.652 -6.977 1.00 24.43 N ATOM 0 H GLN A 56 7.160 17.649 -4.019 1.00 72.40 H new ATOM 0 HA GLN A 56 7.621 19.604 -2.038 1.00 14.02 H new ATOM 0 HB2 GLN A 56 8.169 21.054 -3.964 1.00 13.42 H new ATOM 0 HB3 GLN A 56 8.877 19.463 -4.166 1.00 13.42 H new ATOM 0 HG2 GLN A 56 7.002 18.827 -5.679 1.00 34.31 H new ATOM 0 HG3 GLN A 56 6.308 20.424 -5.485 1.00 34.31 H new ATOM 0 HE21 GLN A 56 7.302 22.240 -6.469 1.00 24.43 H new ATOM 0 HE22 GLN A 56 8.516 22.046 -7.738 1.00 24.43 H new ATOM 907 N LYS A 57 4.721 19.789 -3.530 1.00 3.43 N ATOM 908 CA LYS A 57 3.447 20.512 -3.590 1.00 52.23 C ATOM 909 C LYS A 57 2.254 19.589 -3.298 1.00 15.41 C ATOM 910 O LYS A 57 2.340 18.373 -3.468 1.00 75.34 O ATOM 911 CB LYS A 57 3.289 21.175 -4.968 1.00 62.21 C ATOM 912 CG LYS A 57 2.093 22.119 -5.075 1.00 53.34 C ATOM 913 CD LYS A 57 2.142 22.940 -6.360 1.00 51.43 C ATOM 914 CE LYS A 57 1.017 23.964 -6.427 1.00 44.20 C ATOM 915 NZ LYS A 57 1.210 24.927 -7.546 1.00 3.21 N ATOM 0 H LYS A 57 4.718 18.889 -4.009 1.00 3.43 H new ATOM 0 HA LYS A 57 3.459 21.281 -2.818 1.00 52.23 H new ATOM 0 HB2 LYS A 57 4.198 21.731 -5.198 1.00 62.21 H new ATOM 0 HB3 LYS A 57 3.192 20.396 -5.724 1.00 62.21 H new ATOM 0 HG2 LYS A 57 1.169 21.542 -5.046 1.00 53.34 H new ATOM 0 HG3 LYS A 57 2.078 22.788 -4.215 1.00 53.34 H new ATOM 0 HD2 LYS A 57 3.102 23.452 -6.427 1.00 51.43 H new ATOM 0 HD3 LYS A 57 2.076 22.273 -7.219 1.00 51.43 H new ATOM 0 HE2 LYS A 57 0.064 23.449 -6.551 1.00 44.20 H new ATOM 0 HE3 LYS A 57 0.965 24.508 -5.484 1.00 44.20 H new ATOM 0 HZ1 LYS A 57 0.424 25.608 -7.558 1.00 3.21 H new ATOM 0 HZ2 LYS A 57 2.107 25.437 -7.415 1.00 3.21 H new ATOM 0 HZ3 LYS A 57 1.234 24.410 -8.448 1.00 3.21 H new ATOM 929 N ASN A 58 1.148 20.188 -2.861 1.00 30.41 N ATOM 930 CA ASN A 58 -0.057 19.448 -2.474 1.00 21.35 C ATOM 931 C ASN A 58 -0.623 18.588 -3.619 1.00 55.00 C ATOM 932 O ASN A 58 -0.972 19.095 -4.688 1.00 32.12 O ATOM 933 CB ASN A 58 -1.121 20.433 -1.978 1.00 54.55 C ATOM 934 CG ASN A 58 -1.422 21.522 -2.998 1.00 32.11 C ATOM 935 OD1 ASN A 58 -0.758 22.555 -3.036 1.00 31.21 O ATOM 936 ND2 ASN A 58 -2.419 21.303 -3.831 1.00 24.32 N ATOM 0 H ASN A 58 1.059 21.200 -2.764 1.00 30.41 H new ATOM 0 HA ASN A 58 0.223 18.761 -1.676 1.00 21.35 H new ATOM 0 HB2 ASN A 58 -2.038 19.889 -1.750 1.00 54.55 H new ATOM 0 HB3 ASN A 58 -0.783 20.892 -1.049 1.00 54.55 H new ATOM 0 HD21 ASN A 58 -2.659 22.002 -4.534 1.00 24.32 H new ATOM 0 HD22 ASN A 58 -2.951 20.434 -3.773 1.00 24.32 H new ATOM 943 N LEU A 59 -0.700 17.283 -3.386 1.00 62.32 N ATOM 944 CA LEU A 59 -1.324 16.357 -4.334 1.00 31.14 C ATOM 945 C LEU A 59 -2.842 16.287 -4.108 1.00 60.24 C ATOM 946 O LEU A 59 -3.359 16.821 -3.125 1.00 32.31 O ATOM 947 CB LEU A 59 -0.700 14.960 -4.195 1.00 32.32 C ATOM 948 CG LEU A 59 0.828 14.912 -4.350 1.00 63.03 C ATOM 949 CD1 LEU A 59 1.335 13.474 -4.259 1.00 63.21 C ATOM 950 CD2 LEU A 59 1.260 15.561 -5.665 1.00 41.24 C ATOM 0 H LEU A 59 -0.337 16.836 -2.544 1.00 62.32 H new ATOM 0 HA LEU A 59 -1.146 16.725 -5.344 1.00 31.14 H new ATOM 0 HB2 LEU A 59 -0.964 14.557 -3.217 1.00 32.32 H new ATOM 0 HB3 LEU A 59 -1.147 14.303 -4.942 1.00 32.32 H new ATOM 0 HG LEU A 59 1.272 15.480 -3.532 1.00 63.03 H new ATOM 0 HD11 LEU A 59 2.419 13.463 -4.371 1.00 63.21 H new ATOM 0 HD12 LEU A 59 1.066 13.054 -3.290 1.00 63.21 H new ATOM 0 HD13 LEU A 59 0.882 12.878 -5.051 1.00 63.21 H new ATOM 0 HD21 LEU A 59 2.345 15.516 -5.754 1.00 41.24 H new ATOM 0 HD22 LEU A 59 0.805 15.028 -6.500 1.00 41.24 H new ATOM 0 HD23 LEU A 59 0.938 16.602 -5.680 1.00 41.24 H new ATOM 962 N ARG A 60 -3.559 15.636 -5.020 1.00 11.41 N ATOM 963 CA ARG A 60 -5.012 15.495 -4.883 1.00 34.13 C ATOM 964 C ARG A 60 -5.368 14.245 -4.064 1.00 53.14 C ATOM 965 O ARG A 60 -4.836 13.160 -4.300 1.00 42.52 O ATOM 966 CB ARG A 60 -5.685 15.450 -6.262 1.00 73.45 C ATOM 967 CG ARG A 60 -5.320 16.637 -7.155 1.00 4.14 C ATOM 968 CD ARG A 60 -6.393 16.922 -8.203 1.00 4.32 C ATOM 969 NE ARG A 60 -6.696 15.760 -9.038 1.00 24.51 N ATOM 970 CZ ARG A 60 -7.907 15.412 -9.394 1.00 50.52 C ATOM 971 NH1 ARG A 60 -8.937 16.039 -8.922 1.00 4.04 N ATOM 972 NH2 ARG A 60 -8.088 14.422 -10.209 1.00 64.41 N ATOM 0 H ARG A 60 -3.166 15.201 -5.855 1.00 11.41 H new ATOM 0 HA ARG A 60 -5.387 16.367 -4.347 1.00 34.13 H new ATOM 0 HB2 ARG A 60 -5.403 14.526 -6.766 1.00 73.45 H new ATOM 0 HB3 ARG A 60 -6.767 15.424 -6.130 1.00 73.45 H new ATOM 0 HG2 ARG A 60 -5.174 17.523 -6.537 1.00 4.14 H new ATOM 0 HG3 ARG A 60 -4.372 16.436 -7.654 1.00 4.14 H new ATOM 0 HD2 ARG A 60 -7.304 17.251 -7.703 1.00 4.32 H new ATOM 0 HD3 ARG A 60 -6.064 17.744 -8.839 1.00 4.32 H new ATOM 0 HE ARG A 60 -5.917 15.186 -9.362 1.00 24.51 H new ATOM 0 HH11 ARG A 60 -8.808 16.811 -8.267 1.00 4.04 H new ATOM 0 HH12 ARG A 60 -9.877 15.761 -9.205 1.00 4.04 H new ATOM 0 HH21 ARG A 60 -7.286 13.910 -10.576 1.00 64.41 H new ATOM 0 HH22 ARG A 60 -9.033 14.154 -10.484 1.00 64.41 H new ATOM 986 N LYS A 61 -6.285 14.405 -3.108 1.00 1.14 N ATOM 987 CA LYS A 61 -6.636 13.326 -2.172 1.00 32.02 C ATOM 988 C LYS A 61 -7.942 12.626 -2.561 1.00 15.43 C ATOM 989 O LYS A 61 -8.652 13.076 -3.464 1.00 14.33 O ATOM 990 CB LYS A 61 -6.702 13.839 -0.715 1.00 62.44 C ATOM 991 CG LYS A 61 -7.525 15.113 -0.501 1.00 60.02 C ATOM 992 CD LYS A 61 -6.775 16.364 -0.962 1.00 41.14 C ATOM 993 CE LYS A 61 -7.498 17.644 -0.565 1.00 72.34 C ATOM 994 NZ LYS A 61 -7.587 17.797 0.911 1.00 55.32 N ATOM 0 H LYS A 61 -6.801 15.272 -2.958 1.00 1.14 H new ATOM 0 HA LYS A 61 -5.838 12.586 -2.235 1.00 32.02 H new ATOM 0 HB2 LYS A 61 -7.117 13.050 -0.089 1.00 62.44 H new ATOM 0 HB3 LYS A 61 -5.686 14.021 -0.366 1.00 62.44 H new ATOM 0 HG2 LYS A 61 -8.466 15.033 -1.046 1.00 60.02 H new ATOM 0 HG3 LYS A 61 -7.776 15.209 0.555 1.00 60.02 H new ATOM 0 HD2 LYS A 61 -5.774 16.365 -0.531 1.00 41.14 H new ATOM 0 HD3 LYS A 61 -6.656 16.336 -2.045 1.00 41.14 H new ATOM 0 HE2 LYS A 61 -6.975 18.502 -0.988 1.00 72.34 H new ATOM 0 HE3 LYS A 61 -8.501 17.641 -0.991 1.00 72.34 H new ATOM 0 HZ1 LYS A 61 -7.799 18.788 1.145 1.00 55.32 H new ATOM 0 HZ2 LYS A 61 -8.343 17.185 1.278 1.00 55.32 H new ATOM 0 HZ3 LYS A 61 -6.681 17.525 1.343 1.00 55.32 H new ATOM 1008 N GLU A 62 -8.230 11.509 -1.879 1.00 3.33 N ATOM 1009 CA GLU A 62 -9.392 10.648 -2.181 1.00 74.43 C ATOM 1010 C GLU A 62 -9.164 9.821 -3.464 1.00 2.25 C ATOM 1011 O GLU A 62 -9.454 8.623 -3.502 1.00 70.24 O ATOM 1012 CB GLU A 62 -10.692 11.473 -2.281 1.00 72.54 C ATOM 1013 CG GLU A 62 -11.952 10.640 -2.537 1.00 34.50 C ATOM 1014 CD GLU A 62 -12.550 10.861 -3.922 1.00 11.31 C ATOM 1015 OE1 GLU A 62 -13.320 11.825 -4.095 1.00 24.12 O ATOM 1016 OE2 GLU A 62 -12.258 10.067 -4.843 1.00 62.04 O ATOM 0 H GLU A 62 -7.665 11.172 -1.099 1.00 3.33 H new ATOM 0 HA GLU A 62 -9.502 9.950 -1.351 1.00 74.43 H new ATOM 0 HB2 GLU A 62 -10.824 12.034 -1.356 1.00 72.54 H new ATOM 0 HB3 GLU A 62 -10.584 12.203 -3.084 1.00 72.54 H new ATOM 0 HG2 GLU A 62 -11.711 9.584 -2.417 1.00 34.50 H new ATOM 0 HG3 GLU A 62 -12.700 10.884 -1.783 1.00 34.50 H new ATOM 1023 N ALA A 63 -8.630 10.462 -4.504 1.00 4.31 N ATOM 1024 CA ALA A 63 -8.308 9.781 -5.761 1.00 50.00 C ATOM 1025 C ALA A 63 -7.057 8.897 -5.620 1.00 60.11 C ATOM 1026 O ALA A 63 -6.252 9.077 -4.703 1.00 3.13 O ATOM 1027 CB ALA A 63 -8.115 10.801 -6.880 1.00 71.24 C ATOM 0 H ALA A 63 -8.410 11.458 -4.501 1.00 4.31 H new ATOM 0 HA ALA A 63 -9.146 9.131 -6.013 1.00 50.00 H new ATOM 0 HB1 ALA A 63 -7.876 10.282 -7.808 1.00 71.24 H new ATOM 0 HB2 ALA A 63 -9.032 11.375 -7.011 1.00 71.24 H new ATOM 0 HB3 ALA A 63 -7.299 11.475 -6.621 1.00 71.24 H new ATOM 1033 N PHE A 64 -6.892 7.950 -6.543 1.00 63.13 N ATOM 1034 CA PHE A 64 -5.788 6.984 -6.479 1.00 23.34 C ATOM 1035 C PHE A 64 -4.630 7.362 -7.419 1.00 61.03 C ATOM 1036 O PHE A 64 -4.808 8.102 -8.386 1.00 45.41 O ATOM 1037 CB PHE A 64 -6.296 5.575 -6.836 1.00 52.23 C ATOM 1038 CG PHE A 64 -7.291 5.007 -5.851 1.00 71.51 C ATOM 1039 CD1 PHE A 64 -8.612 5.432 -5.847 1.00 62.54 C ATOM 1040 CD2 PHE A 64 -6.904 4.042 -4.932 1.00 50.32 C ATOM 1041 CE1 PHE A 64 -9.522 4.907 -4.948 1.00 0.30 C ATOM 1042 CE2 PHE A 64 -7.810 3.517 -4.031 1.00 14.32 C ATOM 1043 CZ PHE A 64 -9.120 3.950 -4.040 1.00 23.33 C ATOM 0 H PHE A 64 -7.508 7.828 -7.347 1.00 63.13 H new ATOM 0 HA PHE A 64 -5.409 6.997 -5.457 1.00 23.34 H new ATOM 0 HB2 PHE A 64 -6.757 5.607 -7.823 1.00 52.23 H new ATOM 0 HB3 PHE A 64 -5.443 4.900 -6.904 1.00 52.23 H new ATOM 0 HD1 PHE A 64 -8.933 6.182 -6.555 1.00 62.54 H new ATOM 0 HD2 PHE A 64 -5.881 3.697 -4.921 1.00 50.32 H new ATOM 0 HE1 PHE A 64 -10.547 5.246 -4.957 1.00 0.30 H new ATOM 0 HE2 PHE A 64 -7.493 2.768 -3.320 1.00 14.32 H new ATOM 0 HZ PHE A 64 -9.830 3.540 -3.337 1.00 23.33 H new ATOM 1053 N LEU A 65 -3.439 6.853 -7.114 1.00 24.05 N ATOM 1054 CA LEU A 65 -2.272 7.001 -7.990 1.00 0.42 C ATOM 1055 C LEU A 65 -1.582 5.647 -8.194 1.00 23.52 C ATOM 1056 O LEU A 65 -1.557 4.814 -7.285 1.00 13.22 O ATOM 1057 CB LEU A 65 -1.238 7.991 -7.409 1.00 1.35 C ATOM 1058 CG LEU A 65 -1.777 9.362 -6.954 1.00 61.34 C ATOM 1059 CD1 LEU A 65 -2.349 9.279 -5.541 1.00 33.20 C ATOM 1060 CD2 LEU A 65 -0.683 10.427 -7.032 1.00 23.35 C ATOM 0 H LEU A 65 -3.253 6.329 -6.259 1.00 24.05 H new ATOM 0 HA LEU A 65 -2.638 7.389 -8.940 1.00 0.42 H new ATOM 0 HB2 LEU A 65 -0.752 7.516 -6.557 1.00 1.35 H new ATOM 0 HB3 LEU A 65 -0.468 8.160 -8.161 1.00 1.35 H new ATOM 0 HG LEU A 65 -2.582 9.650 -7.630 1.00 61.34 H new ATOM 0 HD11 LEU A 65 -2.723 10.258 -5.242 1.00 33.20 H new ATOM 0 HD12 LEU A 65 -3.165 8.557 -5.521 1.00 33.20 H new ATOM 0 HD13 LEU A 65 -1.568 8.963 -4.850 1.00 33.20 H new ATOM 0 HD21 LEU A 65 -1.085 11.386 -6.706 1.00 23.35 H new ATOM 0 HD22 LEU A 65 0.147 10.144 -6.385 1.00 23.35 H new ATOM 0 HD23 LEU A 65 -0.330 10.512 -8.060 1.00 23.35 H new ATOM 1072 N ARG A 66 -1.032 5.418 -9.386 1.00 51.24 N ATOM 1073 CA ARG A 66 -0.181 4.249 -9.610 1.00 24.05 C ATOM 1074 C ARG A 66 1.236 4.538 -9.102 1.00 13.23 C ATOM 1075 O ARG A 66 2.031 5.196 -9.775 1.00 61.21 O ATOM 1076 CB ARG A 66 -0.133 3.850 -11.096 1.00 51.52 C ATOM 1077 CG ARG A 66 0.808 2.673 -11.362 1.00 61.42 C ATOM 1078 CD ARG A 66 0.967 2.374 -12.850 1.00 15.44 C ATOM 1079 NE ARG A 66 -0.255 1.843 -13.453 1.00 32.14 N ATOM 1080 CZ ARG A 66 -0.675 2.157 -14.646 1.00 43.14 C ATOM 1081 NH1 ARG A 66 -0.023 3.007 -15.373 1.00 1.42 N ATOM 1082 NH2 ARG A 66 -1.751 1.611 -15.107 1.00 54.24 N ATOM 0 H ARG A 66 -1.158 6.017 -10.202 1.00 51.24 H new ATOM 0 HA ARG A 66 -0.610 3.413 -9.058 1.00 24.05 H new ATOM 0 HB2 ARG A 66 -1.137 3.590 -11.431 1.00 51.52 H new ATOM 0 HB3 ARG A 66 0.188 4.707 -11.688 1.00 51.52 H new ATOM 0 HG2 ARG A 66 1.786 2.890 -10.932 1.00 61.42 H new ATOM 0 HG3 ARG A 66 0.427 1.786 -10.856 1.00 61.42 H new ATOM 0 HD2 ARG A 66 1.257 3.287 -13.371 1.00 15.44 H new ATOM 0 HD3 ARG A 66 1.776 1.657 -12.988 1.00 15.44 H new ATOM 0 HE ARG A 66 -0.813 1.187 -12.906 1.00 32.14 H new ATOM 0 HH11 ARG A 66 0.829 3.438 -15.013 1.00 1.42 H new ATOM 0 HH12 ARG A 66 -0.361 3.245 -16.305 1.00 1.42 H new ATOM 0 HH21 ARG A 66 -2.266 0.939 -14.538 1.00 54.24 H new ATOM 0 HH22 ARG A 66 -2.086 1.852 -16.040 1.00 54.24 H new ATOM 1096 N VAL A 67 1.532 4.073 -7.894 1.00 30.55 N ATOM 1097 CA VAL A 67 2.845 4.284 -7.286 1.00 53.31 C ATOM 1098 C VAL A 67 3.829 3.170 -7.653 1.00 74.22 C ATOM 1099 O VAL A 67 3.560 1.978 -7.480 1.00 51.22 O ATOM 1100 CB VAL A 67 2.746 4.421 -5.744 1.00 3.20 C ATOM 1101 CG1 VAL A 67 2.007 5.703 -5.367 1.00 64.14 C ATOM 1102 CG2 VAL A 67 2.058 3.203 -5.129 1.00 23.54 C ATOM 0 H VAL A 67 0.880 3.546 -7.313 1.00 30.55 H new ATOM 0 HA VAL A 67 3.227 5.221 -7.691 1.00 53.31 H new ATOM 0 HB VAL A 67 3.758 4.474 -5.343 1.00 3.20 H new ATOM 0 HG11 VAL A 67 1.947 5.783 -4.282 1.00 64.14 H new ATOM 0 HG12 VAL A 67 2.545 6.563 -5.765 1.00 64.14 H new ATOM 0 HG13 VAL A 67 1.001 5.679 -5.785 1.00 64.14 H new ATOM 0 HG21 VAL A 67 2.002 3.325 -4.047 1.00 23.54 H new ATOM 0 HG22 VAL A 67 1.051 3.109 -5.537 1.00 23.54 H new ATOM 0 HG23 VAL A 67 2.630 2.305 -5.364 1.00 23.54 H new ATOM 1112 N TYR A 68 4.961 3.593 -8.194 1.00 44.01 N ATOM 1113 CA TYR A 68 6.057 2.704 -8.551 1.00 42.24 C ATOM 1114 C TYR A 68 6.727 2.137 -7.287 1.00 30.22 C ATOM 1115 O TYR A 68 7.531 2.810 -6.633 1.00 35.32 O ATOM 1116 CB TYR A 68 7.048 3.490 -9.426 1.00 70.50 C ATOM 1117 CG TYR A 68 8.434 2.893 -9.547 1.00 60.00 C ATOM 1118 CD1 TYR A 68 8.683 1.798 -10.362 1.00 40.43 C ATOM 1119 CD2 TYR A 68 9.498 3.450 -8.852 1.00 4.24 C ATOM 1120 CE1 TYR A 68 9.958 1.269 -10.476 1.00 12.31 C ATOM 1121 CE2 TYR A 68 10.774 2.932 -8.964 1.00 24.01 C ATOM 1122 CZ TYR A 68 10.999 1.841 -9.776 1.00 14.24 C ATOM 1123 OH TYR A 68 12.273 1.327 -9.896 1.00 61.22 O ATOM 0 H TYR A 68 5.147 4.574 -8.400 1.00 44.01 H new ATOM 0 HA TYR A 68 5.686 1.849 -9.116 1.00 42.24 H new ATOM 0 HB2 TYR A 68 6.625 3.585 -10.426 1.00 70.50 H new ATOM 0 HB3 TYR A 68 7.141 4.498 -9.022 1.00 70.50 H new ATOM 0 HD1 TYR A 68 7.870 1.351 -10.916 1.00 40.43 H new ATOM 0 HD2 TYR A 68 9.326 4.303 -8.213 1.00 4.24 H new ATOM 0 HE1 TYR A 68 10.136 0.413 -11.110 1.00 12.31 H new ATOM 0 HE2 TYR A 68 11.591 3.380 -8.418 1.00 24.01 H new ATOM 0 HH TYR A 68 12.889 1.846 -9.338 1.00 61.22 H new ATOM 1133 N HIS A 69 6.361 0.905 -6.938 1.00 24.24 N ATOM 1134 CA HIS A 69 6.876 0.250 -5.734 1.00 42.10 C ATOM 1135 C HIS A 69 8.297 -0.291 -5.939 1.00 31.13 C ATOM 1136 O HIS A 69 8.515 -1.255 -6.674 1.00 22.40 O ATOM 1137 CB HIS A 69 5.928 -0.876 -5.296 1.00 31.23 C ATOM 1138 CG HIS A 69 6.423 -1.688 -4.130 1.00 42.51 C ATOM 1139 ND1 HIS A 69 6.463 -3.066 -4.135 1.00 11.24 N ATOM 1140 CD2 HIS A 69 6.895 -1.310 -2.917 1.00 55.02 C ATOM 1141 CE1 HIS A 69 6.931 -3.498 -2.985 1.00 10.11 C ATOM 1142 NE2 HIS A 69 7.203 -2.456 -2.225 1.00 5.04 N ATOM 0 H HIS A 69 5.706 0.336 -7.475 1.00 24.24 H new ATOM 0 HA HIS A 69 6.926 1.001 -4.945 1.00 42.10 H new ATOM 0 HB2 HIS A 69 4.963 -0.441 -5.036 1.00 31.23 H new ATOM 0 HB3 HIS A 69 5.760 -1.543 -6.142 1.00 31.23 H new ATOM 0 HD1 HIS A 69 6.174 -3.660 -4.912 1.00 11.24 H new ATOM 0 HD2 HIS A 69 7.008 -0.297 -2.561 1.00 55.02 H new ATOM 0 HE1 HIS A 69 7.069 -4.533 -2.709 1.00 10.11 H new ATOM 1151 N SER A 70 9.256 0.348 -5.279 1.00 52.23 N ATOM 1152 CA SER A 70 10.656 -0.093 -5.301 1.00 63.02 C ATOM 1153 C SER A 70 11.185 -0.303 -3.883 1.00 43.32 C ATOM 1154 O SER A 70 11.012 0.552 -3.014 1.00 41.31 O ATOM 1155 CB SER A 70 11.541 0.934 -6.022 1.00 32.22 C ATOM 1156 OG SER A 70 12.916 0.597 -5.898 1.00 33.41 O ATOM 0 H SER A 70 9.092 1.182 -4.715 1.00 52.23 H new ATOM 0 HA SER A 70 10.691 -1.040 -5.840 1.00 63.02 H new ATOM 0 HB2 SER A 70 11.267 0.979 -7.076 1.00 32.22 H new ATOM 0 HB3 SER A 70 11.367 1.926 -5.605 1.00 32.22 H new ATOM 0 HG SER A 70 13.373 0.768 -6.748 1.00 33.41 H new ATOM 1162 N ASP A 71 11.845 -1.436 -3.656 1.00 41.21 N ATOM 1163 CA ASP A 71 12.423 -1.749 -2.343 1.00 30.25 C ATOM 1164 C ASP A 71 13.420 -0.667 -1.877 1.00 22.11 C ATOM 1165 O ASP A 71 13.750 -0.586 -0.693 1.00 41.15 O ATOM 1166 CB ASP A 71 13.104 -3.121 -2.385 1.00 72.34 C ATOM 1167 CG ASP A 71 12.118 -4.237 -2.687 1.00 25.43 C ATOM 1168 OD1 ASP A 71 11.909 -4.550 -3.876 1.00 71.14 O ATOM 1169 OD2 ASP A 71 11.538 -4.798 -1.732 1.00 71.22 O ATOM 0 H ASP A 71 11.995 -2.156 -4.363 1.00 41.21 H new ATOM 0 HA ASP A 71 11.609 -1.771 -1.619 1.00 30.25 H new ATOM 0 HB2 ASP A 71 13.887 -3.114 -3.143 1.00 72.34 H new ATOM 0 HB3 ASP A 71 13.589 -3.315 -1.428 1.00 72.34 H new ATOM 1174 N LYS A 72 13.887 0.163 -2.813 1.00 30.53 N ATOM 1175 CA LYS A 72 14.786 1.283 -2.493 1.00 74.52 C ATOM 1176 C LYS A 72 14.172 2.236 -1.447 1.00 12.12 C ATOM 1177 O LYS A 72 14.703 2.391 -0.343 1.00 12.24 O ATOM 1178 CB LYS A 72 15.110 2.078 -3.766 1.00 2.20 C ATOM 1179 CG LYS A 72 16.027 1.361 -4.749 1.00 31.22 C ATOM 1180 CD LYS A 72 16.143 2.136 -6.062 1.00 52.40 C ATOM 1181 CE LYS A 72 17.258 1.598 -6.953 1.00 45.45 C ATOM 1182 NZ LYS A 72 18.612 1.854 -6.383 1.00 41.41 N ATOM 0 H LYS A 72 13.658 0.083 -3.804 1.00 30.53 H new ATOM 0 HA LYS A 72 15.696 0.856 -2.073 1.00 74.52 H new ATOM 0 HB2 LYS A 72 14.176 2.322 -4.273 1.00 2.20 H new ATOM 0 HB3 LYS A 72 15.574 3.022 -3.480 1.00 2.20 H new ATOM 0 HG2 LYS A 72 17.016 1.240 -4.306 1.00 31.22 H new ATOM 0 HG3 LYS A 72 15.642 0.361 -4.947 1.00 31.22 H new ATOM 0 HD2 LYS A 72 15.195 2.084 -6.598 1.00 52.40 H new ATOM 0 HD3 LYS A 72 16.329 3.188 -5.846 1.00 52.40 H new ATOM 0 HE2 LYS A 72 17.122 0.526 -7.093 1.00 45.45 H new ATOM 0 HE3 LYS A 72 17.188 2.060 -7.938 1.00 45.45 H new ATOM 0 HZ1 LYS A 72 19.335 1.659 -7.105 1.00 41.41 H new ATOM 0 HZ2 LYS A 72 18.681 2.848 -6.084 1.00 41.41 H new ATOM 0 HZ3 LYS A 72 18.766 1.234 -5.562 1.00 41.41 H new ATOM 1196 N LYS A 73 13.046 2.859 -1.803 1.00 31.35 N ATOM 1197 CA LYS A 73 12.415 3.893 -0.960 1.00 64.31 C ATOM 1198 C LYS A 73 10.873 3.741 -0.939 1.00 5.54 C ATOM 1199 O LYS A 73 10.132 4.664 -0.585 1.00 35.34 O ATOM 1200 CB LYS A 73 12.837 5.288 -1.484 1.00 13.24 C ATOM 1201 CG LYS A 73 12.321 6.475 -0.659 1.00 72.21 C ATOM 1202 CD LYS A 73 11.263 7.280 -1.418 1.00 33.33 C ATOM 1203 CE LYS A 73 10.591 8.319 -0.527 1.00 74.31 C ATOM 1204 NZ LYS A 73 9.885 7.686 0.615 1.00 63.22 N ATOM 0 H LYS A 73 12.546 2.669 -2.672 1.00 31.35 H new ATOM 0 HA LYS A 73 12.754 3.776 0.069 1.00 64.31 H new ATOM 0 HB2 LYS A 73 13.926 5.333 -1.516 1.00 13.24 H new ATOM 0 HB3 LYS A 73 12.483 5.397 -2.509 1.00 13.24 H new ATOM 0 HG2 LYS A 73 11.897 6.110 0.277 1.00 72.21 H new ATOM 0 HG3 LYS A 73 13.155 7.126 -0.399 1.00 72.21 H new ATOM 0 HD2 LYS A 73 11.727 7.778 -2.269 1.00 33.33 H new ATOM 0 HD3 LYS A 73 10.509 6.602 -1.818 1.00 33.33 H new ATOM 0 HE2 LYS A 73 11.340 9.016 -0.151 1.00 74.31 H new ATOM 0 HE3 LYS A 73 9.882 8.901 -1.116 1.00 74.31 H new ATOM 0 HZ1 LYS A 73 9.512 8.425 1.245 1.00 63.22 H new ATOM 0 HZ2 LYS A 73 9.099 7.106 0.259 1.00 63.22 H new ATOM 0 HZ3 LYS A 73 10.549 7.084 1.143 1.00 63.22 H new ATOM 1218 N GLY A 74 10.394 2.553 -1.291 1.00 24.01 N ATOM 1219 CA GLY A 74 8.956 2.309 -1.359 1.00 34.34 C ATOM 1220 C GLY A 74 8.321 2.897 -2.615 1.00 5.05 C ATOM 1221 O GLY A 74 7.861 2.161 -3.488 1.00 31.22 O ATOM 0 H GLY A 74 10.974 1.749 -1.532 1.00 24.01 H new ATOM 0 HA2 GLY A 74 8.772 1.235 -1.332 1.00 34.34 H new ATOM 0 HA3 GLY A 74 8.476 2.737 -0.479 1.00 34.34 H new ATOM 1225 N VAL A 75 8.302 4.226 -2.708 1.00 14.35 N ATOM 1226 CA VAL A 75 7.743 4.920 -3.879 1.00 42.14 C ATOM 1227 C VAL A 75 8.734 5.951 -4.446 1.00 12.31 C ATOM 1228 O VAL A 75 9.011 6.971 -3.817 1.00 11.03 O ATOM 1229 CB VAL A 75 6.415 5.645 -3.534 1.00 21.31 C ATOM 1230 CG1 VAL A 75 5.840 6.345 -4.767 1.00 1.20 C ATOM 1231 CG2 VAL A 75 5.400 4.674 -2.937 1.00 50.51 C ATOM 0 H VAL A 75 8.667 4.849 -1.988 1.00 14.35 H new ATOM 0 HA VAL A 75 7.549 4.152 -4.628 1.00 42.14 H new ATOM 0 HB VAL A 75 6.633 6.405 -2.784 1.00 21.31 H new ATOM 0 HG11 VAL A 75 4.909 6.846 -4.500 1.00 1.20 H new ATOM 0 HG12 VAL A 75 6.556 7.080 -5.135 1.00 1.20 H new ATOM 0 HG13 VAL A 75 5.645 5.608 -5.546 1.00 1.20 H new ATOM 0 HG21 VAL A 75 4.479 5.208 -2.704 1.00 50.51 H new ATOM 0 HG22 VAL A 75 5.189 3.882 -3.655 1.00 50.51 H new ATOM 0 HG23 VAL A 75 5.807 4.238 -2.025 1.00 50.51 H new ATOM 1241 N SER A 76 9.270 5.676 -5.636 1.00 22.40 N ATOM 1242 CA SER A 76 10.174 6.620 -6.320 1.00 43.14 C ATOM 1243 C SER A 76 9.457 7.352 -7.465 1.00 31.40 C ATOM 1244 O SER A 76 10.014 8.265 -8.079 1.00 21.25 O ATOM 1245 CB SER A 76 11.415 5.898 -6.872 1.00 50.24 C ATOM 1246 OG SER A 76 12.200 5.323 -5.831 1.00 14.31 O ATOM 0 H SER A 76 9.098 4.812 -6.150 1.00 22.40 H new ATOM 0 HA SER A 76 10.490 7.353 -5.578 1.00 43.14 H new ATOM 0 HB2 SER A 76 11.103 5.117 -7.565 1.00 50.24 H new ATOM 0 HB3 SER A 76 12.023 6.603 -7.439 1.00 50.24 H new ATOM 0 HG SER A 76 12.978 4.872 -6.219 1.00 14.31 H new ATOM 1252 N ALA A 77 8.223 6.943 -7.754 1.00 54.34 N ATOM 1253 CA ALA A 77 7.425 7.562 -8.822 1.00 21.43 C ATOM 1254 C ALA A 77 5.922 7.321 -8.611 1.00 42.12 C ATOM 1255 O ALA A 77 5.525 6.312 -8.026 1.00 12.20 O ATOM 1256 CB ALA A 77 7.860 7.035 -10.189 1.00 35.44 C ATOM 0 H ALA A 77 7.749 6.184 -7.265 1.00 54.34 H new ATOM 0 HA ALA A 77 7.600 8.637 -8.786 1.00 21.43 H new ATOM 0 HB1 ALA A 77 7.259 7.504 -10.968 1.00 35.44 H new ATOM 0 HB2 ALA A 77 8.912 7.270 -10.352 1.00 35.44 H new ATOM 0 HB3 ALA A 77 7.720 5.955 -10.224 1.00 35.44 H new ATOM 1262 N TRP A 78 5.096 8.250 -9.090 1.00 31.01 N ATOM 1263 CA TRP A 78 3.638 8.168 -8.916 1.00 72.31 C ATOM 1264 C TRP A 78 2.885 8.977 -9.988 1.00 42.23 C ATOM 1265 O TRP A 78 3.322 10.059 -10.386 1.00 14.52 O ATOM 1266 CB TRP A 78 3.241 8.646 -7.500 1.00 4.12 C ATOM 1267 CG TRP A 78 4.030 9.830 -7.008 1.00 41.40 C ATOM 1268 CD1 TRP A 78 5.147 9.793 -6.221 1.00 52.12 C ATOM 1269 CD2 TRP A 78 3.774 11.216 -7.273 1.00 4.33 C ATOM 1270 NE1 TRP A 78 5.600 11.066 -5.983 1.00 31.41 N ATOM 1271 CE2 TRP A 78 4.776 11.957 -6.614 1.00 30.41 C ATOM 1272 CE3 TRP A 78 2.797 11.906 -8.000 1.00 0.14 C ATOM 1273 CZ2 TRP A 78 4.831 13.347 -6.666 1.00 60.32 C ATOM 1274 CZ3 TRP A 78 2.853 13.286 -8.048 1.00 20.05 C ATOM 1275 CH2 TRP A 78 3.865 13.993 -7.385 1.00 10.30 C ATOM 0 H TRP A 78 5.409 9.073 -9.604 1.00 31.01 H new ATOM 0 HA TRP A 78 3.350 7.123 -9.035 1.00 72.31 H new ATOM 0 HB2 TRP A 78 2.182 8.903 -7.498 1.00 4.12 H new ATOM 0 HB3 TRP A 78 3.370 7.821 -6.800 1.00 4.12 H new ATOM 0 HD1 TRP A 78 5.606 8.892 -5.842 1.00 52.12 H new ATOM 0 HE1 TRP A 78 6.419 11.309 -5.426 1.00 31.41 H new ATOM 0 HE3 TRP A 78 2.013 11.370 -8.514 1.00 0.14 H new ATOM 0 HZ2 TRP A 78 5.609 13.895 -6.156 1.00 60.32 H new ATOM 0 HZ3 TRP A 78 2.104 13.829 -8.606 1.00 20.05 H new ATOM 0 HH2 TRP A 78 3.882 15.071 -7.443 1.00 10.30 H new ATOM 1286 N GLU A 79 1.760 8.432 -10.463 1.00 15.04 N ATOM 1287 CA GLU A 79 0.901 9.124 -11.440 1.00 74.54 C ATOM 1288 C GLU A 79 -0.583 8.979 -11.073 1.00 34.40 C ATOM 1289 O GLU A 79 -0.999 7.949 -10.545 1.00 43.43 O ATOM 1290 CB GLU A 79 1.136 8.585 -12.857 1.00 10.30 C ATOM 1291 CG GLU A 79 2.539 8.846 -13.397 1.00 63.03 C ATOM 1292 CD GLU A 79 2.694 8.422 -14.847 1.00 43.20 C ATOM 1293 OE1 GLU A 79 2.235 9.170 -15.742 1.00 61.40 O ATOM 1294 OE2 GLU A 79 3.261 7.341 -15.109 1.00 11.40 O ATOM 0 H GLU A 79 1.419 7.511 -10.188 1.00 15.04 H new ATOM 0 HA GLU A 79 1.167 10.181 -11.415 1.00 74.54 H new ATOM 0 HB2 GLU A 79 0.950 7.511 -12.861 1.00 10.30 H new ATOM 0 HB3 GLU A 79 0.409 9.037 -13.531 1.00 10.30 H new ATOM 0 HG2 GLU A 79 2.768 9.908 -13.306 1.00 63.03 H new ATOM 0 HG3 GLU A 79 3.265 8.310 -12.786 1.00 63.03 H new ATOM 1301 N GLU A 80 -1.376 9.999 -11.393 1.00 42.34 N ATOM 1302 CA GLU A 80 -2.784 10.072 -10.966 1.00 33.33 C ATOM 1303 C GLU A 80 -3.717 9.202 -11.830 1.00 73.34 C ATOM 1304 O GLU A 80 -3.579 9.147 -13.052 1.00 62.15 O ATOM 1305 CB GLU A 80 -3.270 11.526 -11.030 1.00 55.23 C ATOM 1306 CG GLU A 80 -4.697 11.724 -10.519 1.00 72.43 C ATOM 1307 CD GLU A 80 -5.300 13.047 -10.954 1.00 52.51 C ATOM 1308 OE1 GLU A 80 -4.846 14.106 -10.471 1.00 11.22 O ATOM 1309 OE2 GLU A 80 -6.242 13.037 -11.775 1.00 64.22 O ATOM 0 H GLU A 80 -1.070 10.796 -11.951 1.00 42.34 H new ATOM 0 HA GLU A 80 -2.822 9.691 -9.946 1.00 33.33 H new ATOM 0 HB2 GLU A 80 -2.595 12.151 -10.445 1.00 55.23 H new ATOM 0 HB3 GLU A 80 -3.212 11.873 -12.062 1.00 55.23 H new ATOM 0 HG2 GLU A 80 -5.324 10.908 -10.880 1.00 72.43 H new ATOM 0 HG3 GLU A 80 -4.699 11.670 -9.430 1.00 72.43 H new ATOM 1316 N VAL A 81 -4.676 8.541 -11.174 1.00 4.43 N ATOM 1317 CA VAL A 81 -5.740 7.780 -11.854 1.00 11.23 C ATOM 1318 C VAL A 81 -7.077 7.903 -11.084 1.00 22.44 C ATOM 1319 O VAL A 81 -7.142 7.649 -9.880 1.00 23.52 O ATOM 1320 CB VAL A 81 -5.372 6.273 -12.012 1.00 30.43 C ATOM 1321 CG1 VAL A 81 -4.210 6.087 -12.989 1.00 73.40 C ATOM 1322 CG2 VAL A 81 -5.040 5.646 -10.656 1.00 43.13 C ATOM 0 H VAL A 81 -4.740 8.516 -10.156 1.00 4.43 H new ATOM 0 HA VAL A 81 -5.849 8.211 -12.849 1.00 11.23 H new ATOM 0 HB VAL A 81 -6.243 5.761 -12.422 1.00 30.43 H new ATOM 0 HG11 VAL A 81 -3.976 5.026 -13.079 1.00 73.40 H new ATOM 0 HG12 VAL A 81 -4.490 6.481 -13.966 1.00 73.40 H new ATOM 0 HG13 VAL A 81 -3.335 6.621 -12.619 1.00 73.40 H new ATOM 0 HG21 VAL A 81 -4.787 4.595 -10.793 1.00 43.13 H new ATOM 0 HG22 VAL A 81 -4.193 6.168 -10.211 1.00 43.13 H new ATOM 0 HG23 VAL A 81 -5.904 5.728 -9.996 1.00 43.13 H new ATOM 1332 N LYS A 82 -8.146 8.298 -11.778 1.00 13.24 N ATOM 1333 CA LYS A 82 -9.458 8.472 -11.135 1.00 14.14 C ATOM 1334 C LYS A 82 -10.113 7.124 -10.812 1.00 70.24 C ATOM 1335 O LYS A 82 -10.185 6.234 -11.660 1.00 32.11 O ATOM 1336 CB LYS A 82 -10.406 9.276 -12.027 1.00 34.14 C ATOM 1337 CG LYS A 82 -9.867 10.638 -12.452 1.00 32.25 C ATOM 1338 CD LYS A 82 -10.844 11.362 -13.376 1.00 10.22 C ATOM 1339 CE LYS A 82 -12.193 11.604 -12.703 1.00 53.40 C ATOM 1340 NZ LYS A 82 -13.178 12.220 -13.632 1.00 25.54 N ATOM 0 H LYS A 82 -8.134 8.503 -12.777 1.00 13.24 H new ATOM 0 HA LYS A 82 -9.280 9.014 -10.206 1.00 14.14 H new ATOM 0 HB2 LYS A 82 -10.628 8.692 -12.920 1.00 34.14 H new ATOM 0 HB3 LYS A 82 -11.348 9.420 -11.498 1.00 34.14 H new ATOM 0 HG2 LYS A 82 -9.680 11.248 -11.569 1.00 32.25 H new ATOM 0 HG3 LYS A 82 -8.911 10.510 -12.960 1.00 32.25 H new ATOM 0 HD2 LYS A 82 -10.415 12.316 -13.682 1.00 10.22 H new ATOM 0 HD3 LYS A 82 -10.991 10.773 -14.282 1.00 10.22 H new ATOM 0 HE2 LYS A 82 -12.588 10.658 -12.332 1.00 53.40 H new ATOM 0 HE3 LYS A 82 -12.055 12.253 -11.838 1.00 53.40 H new ATOM 0 HZ1 LYS A 82 -14.079 12.367 -13.135 1.00 25.54 H new ATOM 0 HZ2 LYS A 82 -12.814 13.135 -13.967 1.00 25.54 H new ATOM 0 HZ3 LYS A 82 -13.330 11.589 -14.445 1.00 25.54 H new ATOM 1354 N LYS A 83 -10.647 7.011 -9.603 1.00 33.31 N ATOM 1355 CA LYS A 83 -11.257 5.760 -9.125 1.00 4.33 C ATOM 1356 C LYS A 83 -12.461 5.347 -9.990 1.00 73.31 C ATOM 1357 O LYS A 83 -12.882 4.190 -9.980 1.00 1.35 O ATOM 1358 CB LYS A 83 -11.688 5.889 -7.646 1.00 3.33 C ATOM 1359 CG LYS A 83 -12.960 6.705 -7.401 1.00 62.12 C ATOM 1360 CD LYS A 83 -12.836 8.154 -7.869 1.00 54.24 C ATOM 1361 CE LYS A 83 -14.115 8.941 -7.597 1.00 62.43 C ATOM 1362 NZ LYS A 83 -14.108 10.269 -8.266 1.00 23.43 N ATOM 0 H LYS A 83 -10.674 7.772 -8.925 1.00 33.31 H new ATOM 0 HA LYS A 83 -10.499 4.981 -9.207 1.00 4.33 H new ATOM 0 HB2 LYS A 83 -11.835 4.888 -7.239 1.00 3.33 H new ATOM 0 HB3 LYS A 83 -10.871 6.344 -7.086 1.00 3.33 H new ATOM 0 HG2 LYS A 83 -13.795 6.232 -7.918 1.00 62.12 H new ATOM 0 HG3 LYS A 83 -13.195 6.691 -6.337 1.00 62.12 H new ATOM 0 HD2 LYS A 83 -11.999 8.631 -7.360 1.00 54.24 H new ATOM 0 HD3 LYS A 83 -12.614 8.175 -8.936 1.00 54.24 H new ATOM 0 HE2 LYS A 83 -14.974 8.366 -7.943 1.00 62.43 H new ATOM 0 HE3 LYS A 83 -14.234 9.078 -6.522 1.00 62.43 H new ATOM 0 HZ1 LYS A 83 -15.015 10.748 -8.096 1.00 23.43 H new ATOM 0 HZ2 LYS A 83 -13.334 10.847 -7.881 1.00 23.43 H new ATOM 0 HZ3 LYS A 83 -13.970 10.142 -9.289 1.00 23.43 H new ATOM 1376 N ASP A 84 -12.998 6.304 -10.744 1.00 24.23 N ATOM 1377 CA ASP A 84 -14.169 6.076 -11.596 1.00 72.03 C ATOM 1378 C ASP A 84 -13.867 5.110 -12.757 1.00 50.51 C ATOM 1379 O ASP A 84 -14.781 4.519 -13.338 1.00 44.31 O ATOM 1380 CB ASP A 84 -14.654 7.412 -12.161 1.00 50.44 C ATOM 1381 CG ASP A 84 -14.768 8.475 -11.085 1.00 42.30 C ATOM 1382 OD1 ASP A 84 -15.841 8.589 -10.463 1.00 61.51 O ATOM 1383 OD2 ASP A 84 -13.770 9.187 -10.842 1.00 1.54 O ATOM 0 H ASP A 84 -12.637 7.257 -10.783 1.00 24.23 H new ATOM 0 HA ASP A 84 -14.941 5.618 -10.978 1.00 72.03 H new ATOM 0 HB2 ASP A 84 -13.964 7.751 -12.934 1.00 50.44 H new ATOM 0 HB3 ASP A 84 -15.624 7.273 -12.638 1.00 50.44 H new ATOM 1388 N GLU A 85 -12.587 4.951 -13.095 1.00 55.21 N ATOM 1389 CA GLU A 85 -12.195 4.166 -14.273 1.00 61.42 C ATOM 1390 C GLU A 85 -11.388 2.908 -13.900 1.00 4.34 C ATOM 1391 O GLU A 85 -10.910 2.186 -14.778 1.00 61.24 O ATOM 1392 CB GLU A 85 -11.401 5.061 -15.236 1.00 22.02 C ATOM 1393 CG GLU A 85 -12.186 6.295 -15.687 1.00 41.54 C ATOM 1394 CD GLU A 85 -11.417 7.177 -16.659 1.00 24.31 C ATOM 1395 OE1 GLU A 85 -11.468 6.911 -17.879 1.00 71.34 O ATOM 1396 OE2 GLU A 85 -10.764 8.142 -16.207 1.00 63.41 O ATOM 0 H GLU A 85 -11.806 5.351 -12.575 1.00 55.21 H new ATOM 0 HA GLU A 85 -13.103 3.813 -14.762 1.00 61.42 H new ATOM 0 HB2 GLU A 85 -10.479 5.381 -14.750 1.00 22.02 H new ATOM 0 HB3 GLU A 85 -11.114 4.479 -16.112 1.00 22.02 H new ATOM 0 HG2 GLU A 85 -13.116 5.974 -16.157 1.00 41.54 H new ATOM 0 HG3 GLU A 85 -12.458 6.884 -14.811 1.00 41.54 H new ATOM 1403 N LEU A 86 -11.256 2.638 -12.600 1.00 1.02 N ATOM 1404 CA LEU A 86 -10.573 1.422 -12.123 1.00 1.04 C ATOM 1405 C LEU A 86 -11.490 0.187 -12.225 1.00 71.12 C ATOM 1406 O LEU A 86 -12.699 0.279 -11.989 1.00 32.51 O ATOM 1407 CB LEU A 86 -10.084 1.607 -10.670 1.00 34.04 C ATOM 1408 CG LEU A 86 -8.722 2.308 -10.508 1.00 40.32 C ATOM 1409 CD1 LEU A 86 -8.734 3.699 -11.127 1.00 32.44 C ATOM 1410 CD2 LEU A 86 -8.320 2.375 -9.035 1.00 44.43 C ATOM 0 H LEU A 86 -11.610 3.240 -11.856 1.00 1.02 H new ATOM 0 HA LEU A 86 -9.709 1.255 -12.766 1.00 1.04 H new ATOM 0 HB2 LEU A 86 -10.834 2.179 -10.124 1.00 34.04 H new ATOM 0 HB3 LEU A 86 -10.026 0.626 -10.198 1.00 34.04 H new ATOM 0 HG LEU A 86 -7.979 1.715 -11.042 1.00 40.32 H new ATOM 0 HD11 LEU A 86 -7.757 4.165 -10.994 1.00 32.44 H new ATOM 0 HD12 LEU A 86 -8.958 3.622 -12.191 1.00 32.44 H new ATOM 0 HD13 LEU A 86 -9.495 4.308 -10.639 1.00 32.44 H new ATOM 0 HD21 LEU A 86 -7.355 2.874 -8.943 1.00 44.43 H new ATOM 0 HD22 LEU A 86 -9.072 2.934 -8.478 1.00 44.43 H new ATOM 0 HD23 LEU A 86 -8.246 1.365 -8.632 1.00 44.43 H new ATOM 1422 N PRO A 87 -10.921 -0.990 -12.575 1.00 52.10 N ATOM 1423 CA PRO A 87 -11.699 -2.234 -12.774 1.00 42.02 C ATOM 1424 C PRO A 87 -12.477 -2.687 -11.523 1.00 31.05 C ATOM 1425 O PRO A 87 -11.995 -2.581 -10.395 1.00 3.10 O ATOM 1426 CB PRO A 87 -10.628 -3.274 -13.152 1.00 61.23 C ATOM 1427 CG PRO A 87 -9.341 -2.699 -12.662 1.00 32.42 C ATOM 1428 CD PRO A 87 -9.480 -1.209 -12.808 1.00 23.15 C ATOM 0 HA PRO A 87 -12.472 -2.095 -13.530 1.00 42.02 H new ATOM 0 HB2 PRO A 87 -10.832 -4.238 -12.686 1.00 61.23 H new ATOM 0 HB3 PRO A 87 -10.602 -3.440 -14.229 1.00 61.23 H new ATOM 0 HG2 PRO A 87 -9.159 -2.975 -11.623 1.00 32.42 H new ATOM 0 HG3 PRO A 87 -8.498 -3.073 -13.244 1.00 32.42 H new ATOM 0 HD2 PRO A 87 -8.867 -0.673 -12.083 1.00 23.15 H new ATOM 0 HD3 PRO A 87 -9.174 -0.869 -13.798 1.00 23.15 H new ATOM 1436 N ALA A 88 -13.681 -3.218 -11.738 1.00 25.44 N ATOM 1437 CA ALA A 88 -14.554 -3.645 -10.636 1.00 34.23 C ATOM 1438 C ALA A 88 -13.959 -4.809 -9.820 1.00 30.12 C ATOM 1439 O ALA A 88 -14.231 -4.938 -8.626 1.00 1.44 O ATOM 1440 CB ALA A 88 -15.924 -4.035 -11.180 1.00 44.35 C ATOM 0 H ALA A 88 -14.078 -3.364 -12.666 1.00 25.44 H new ATOM 0 HA ALA A 88 -14.650 -2.798 -9.957 1.00 34.23 H new ATOM 0 HB1 ALA A 88 -16.566 -4.350 -10.357 1.00 44.35 H new ATOM 0 HB2 ALA A 88 -16.373 -3.178 -11.683 1.00 44.35 H new ATOM 0 HB3 ALA A 88 -15.814 -4.855 -11.889 1.00 44.35 H new ATOM 1446 N LYS A 89 -13.138 -5.639 -10.462 1.00 11.11 N ATOM 1447 CA LYS A 89 -12.568 -6.828 -9.807 1.00 2.30 C ATOM 1448 C LYS A 89 -11.710 -6.467 -8.581 1.00 3.51 C ATOM 1449 O LYS A 89 -11.689 -7.201 -7.592 1.00 25.24 O ATOM 1450 CB LYS A 89 -11.741 -7.663 -10.801 1.00 33.34 C ATOM 1451 CG LYS A 89 -12.575 -8.405 -11.851 1.00 4.32 C ATOM 1452 CD LYS A 89 -12.999 -7.512 -13.019 1.00 42.21 C ATOM 1453 CE LYS A 89 -11.811 -7.121 -13.891 1.00 32.52 C ATOM 1454 NZ LYS A 89 -12.230 -6.375 -15.105 1.00 2.52 N ATOM 0 H LYS A 89 -12.850 -5.515 -11.433 1.00 11.11 H new ATOM 0 HA LYS A 89 -13.411 -7.423 -9.456 1.00 2.30 H new ATOM 0 HB2 LYS A 89 -11.037 -7.006 -11.312 1.00 33.34 H new ATOM 0 HB3 LYS A 89 -11.151 -8.390 -10.243 1.00 33.34 H new ATOM 0 HG2 LYS A 89 -11.999 -9.247 -12.235 1.00 4.32 H new ATOM 0 HG3 LYS A 89 -13.465 -8.818 -11.375 1.00 4.32 H new ATOM 0 HD2 LYS A 89 -13.739 -8.034 -13.626 1.00 42.21 H new ATOM 0 HD3 LYS A 89 -13.479 -6.612 -12.634 1.00 42.21 H new ATOM 0 HE2 LYS A 89 -11.121 -6.509 -13.310 1.00 32.52 H new ATOM 0 HE3 LYS A 89 -11.268 -8.019 -14.187 1.00 32.52 H new ATOM 0 HZ1 LYS A 89 -11.391 -6.129 -15.668 1.00 2.52 H new ATOM 0 HZ2 LYS A 89 -12.868 -6.968 -15.674 1.00 2.52 H new ATOM 0 HZ3 LYS A 89 -12.725 -5.505 -14.824 1.00 2.52 H new ATOM 1468 N VAL A 90 -10.996 -5.342 -8.647 1.00 41.44 N ATOM 1469 CA VAL A 90 -10.204 -4.875 -7.501 1.00 4.03 C ATOM 1470 C VAL A 90 -11.086 -4.103 -6.499 1.00 14.31 C ATOM 1471 O VAL A 90 -10.881 -4.177 -5.284 1.00 42.42 O ATOM 1472 CB VAL A 90 -9.007 -3.993 -7.953 1.00 10.11 C ATOM 1473 CG1 VAL A 90 -9.482 -2.725 -8.657 1.00 14.13 C ATOM 1474 CG2 VAL A 90 -8.100 -3.652 -6.771 1.00 32.24 C ATOM 0 H VAL A 90 -10.948 -4.741 -9.470 1.00 41.44 H new ATOM 0 HA VAL A 90 -9.803 -5.759 -7.005 1.00 4.03 H new ATOM 0 HB VAL A 90 -8.426 -4.572 -8.671 1.00 10.11 H new ATOM 0 HG11 VAL A 90 -8.619 -2.132 -8.960 1.00 14.13 H new ATOM 0 HG12 VAL A 90 -10.064 -2.994 -9.538 1.00 14.13 H new ATOM 0 HG13 VAL A 90 -10.103 -2.142 -7.977 1.00 14.13 H new ATOM 0 HG21 VAL A 90 -7.271 -3.034 -7.115 1.00 32.24 H new ATOM 0 HG22 VAL A 90 -8.671 -3.107 -6.020 1.00 32.24 H new ATOM 0 HG23 VAL A 90 -7.711 -4.572 -6.334 1.00 32.24 H new ATOM 1484 N LYS A 91 -12.089 -3.388 -7.014 1.00 32.22 N ATOM 1485 CA LYS A 91 -13.041 -2.657 -6.168 1.00 74.24 C ATOM 1486 C LYS A 91 -13.849 -3.646 -5.300 1.00 32.54 C ATOM 1487 O LYS A 91 -14.307 -3.309 -4.205 1.00 23.24 O ATOM 1488 CB LYS A 91 -13.970 -1.799 -7.058 1.00 55.11 C ATOM 1489 CG LYS A 91 -14.501 -0.519 -6.399 1.00 24.31 C ATOM 1490 CD LYS A 91 -15.539 -0.802 -5.315 1.00 22.32 C ATOM 1491 CE LYS A 91 -16.015 0.475 -4.634 1.00 14.44 C ATOM 1492 NZ LYS A 91 -14.900 1.219 -3.984 1.00 73.21 N ATOM 0 H LYS A 91 -12.265 -3.298 -8.015 1.00 32.22 H new ATOM 0 HA LYS A 91 -12.499 -1.992 -5.496 1.00 74.24 H new ATOM 0 HB2 LYS A 91 -13.429 -1.525 -7.964 1.00 55.11 H new ATOM 0 HB3 LYS A 91 -14.819 -2.410 -7.366 1.00 55.11 H new ATOM 0 HG2 LYS A 91 -13.668 0.033 -5.964 1.00 24.31 H new ATOM 0 HG3 LYS A 91 -14.944 0.121 -7.162 1.00 24.31 H new ATOM 0 HD2 LYS A 91 -16.392 -1.318 -5.756 1.00 22.32 H new ATOM 0 HD3 LYS A 91 -15.111 -1.473 -4.570 1.00 22.32 H new ATOM 0 HE2 LYS A 91 -16.498 1.118 -5.370 1.00 14.44 H new ATOM 0 HE3 LYS A 91 -16.768 0.226 -3.886 1.00 14.44 H new ATOM 0 HZ1 LYS A 91 -15.277 1.804 -3.211 1.00 73.21 H new ATOM 0 HZ2 LYS A 91 -14.209 0.543 -3.601 1.00 73.21 H new ATOM 0 HZ3 LYS A 91 -14.435 1.830 -4.686 1.00 73.21 H new ATOM 1506 N GLU A 92 -13.995 -4.878 -5.800 1.00 13.24 N ATOM 1507 CA GLU A 92 -14.635 -5.976 -5.053 1.00 73.44 C ATOM 1508 C GLU A 92 -13.994 -6.168 -3.663 1.00 62.22 C ATOM 1509 O GLU A 92 -14.625 -6.685 -2.740 1.00 74.55 O ATOM 1510 CB GLU A 92 -14.532 -7.280 -5.864 1.00 23.44 C ATOM 1511 CG GLU A 92 -15.085 -8.518 -5.156 1.00 51.44 C ATOM 1512 CD GLU A 92 -14.914 -9.788 -5.978 1.00 31.53 C ATOM 1513 OE1 GLU A 92 -13.771 -10.080 -6.391 1.00 34.30 O ATOM 1514 OE2 GLU A 92 -15.915 -10.501 -6.212 1.00 51.25 O ATOM 0 H GLU A 92 -13.675 -5.146 -6.731 1.00 13.24 H new ATOM 0 HA GLU A 92 -15.683 -5.717 -4.901 1.00 73.44 H new ATOM 0 HB2 GLU A 92 -15.064 -7.149 -6.806 1.00 23.44 H new ATOM 0 HB3 GLU A 92 -13.485 -7.457 -6.111 1.00 23.44 H new ATOM 0 HG2 GLU A 92 -14.581 -8.639 -4.197 1.00 51.44 H new ATOM 0 HG3 GLU A 92 -16.143 -8.368 -4.943 1.00 51.44 H new ATOM 1521 N LYS A 93 -12.729 -5.761 -3.529 1.00 74.51 N ATOM 1522 CA LYS A 93 -12.026 -5.800 -2.238 1.00 30.11 C ATOM 1523 C LYS A 93 -11.904 -4.387 -1.636 1.00 33.33 C ATOM 1524 O LYS A 93 -12.090 -4.191 -0.432 1.00 44.01 O ATOM 1525 CB LYS A 93 -10.624 -6.419 -2.392 1.00 71.13 C ATOM 1526 CG LYS A 93 -10.608 -7.869 -2.887 1.00 61.24 C ATOM 1527 CD LYS A 93 -10.929 -7.977 -4.378 1.00 33.33 C ATOM 1528 CE LYS A 93 -10.834 -9.412 -4.880 1.00 45.14 C ATOM 1529 NZ LYS A 93 -11.084 -9.505 -6.343 1.00 15.10 N ATOM 0 H LYS A 93 -12.167 -5.399 -4.299 1.00 74.51 H new ATOM 0 HA LYS A 93 -12.614 -6.423 -1.563 1.00 30.11 H new ATOM 0 HB2 LYS A 93 -10.047 -5.807 -3.086 1.00 71.13 H new ATOM 0 HB3 LYS A 93 -10.115 -6.374 -1.429 1.00 71.13 H new ATOM 0 HG2 LYS A 93 -9.627 -8.305 -2.696 1.00 61.24 H new ATOM 0 HG3 LYS A 93 -11.332 -8.453 -2.319 1.00 61.24 H new ATOM 0 HD2 LYS A 93 -11.933 -7.595 -4.561 1.00 33.33 H new ATOM 0 HD3 LYS A 93 -10.241 -7.349 -4.943 1.00 33.33 H new ATOM 0 HE2 LYS A 93 -9.845 -9.811 -4.655 1.00 45.14 H new ATOM 0 HE3 LYS A 93 -11.556 -10.031 -4.348 1.00 45.14 H new ATOM 0 HZ1 LYS A 93 -12.026 -9.913 -6.509 1.00 15.10 H new ATOM 0 HZ2 LYS A 93 -11.039 -8.555 -6.764 1.00 15.10 H new ATOM 0 HZ3 LYS A 93 -10.362 -10.112 -6.781 1.00 15.10 H new ATOM 1543 N LEU A 94 -11.588 -3.403 -2.480 1.00 52.13 N ATOM 1544 CA LEU A 94 -11.435 -2.013 -2.031 1.00 53.03 C ATOM 1545 C LEU A 94 -12.813 -1.337 -1.882 1.00 33.32 C ATOM 1546 O LEU A 94 -13.336 -0.729 -2.823 1.00 3.05 O ATOM 1547 CB LEU A 94 -10.539 -1.237 -3.020 1.00 33.34 C ATOM 1548 CG LEU A 94 -9.829 0.025 -2.470 1.00 75.34 C ATOM 1549 CD1 LEU A 94 -10.825 1.126 -2.104 1.00 35.53 C ATOM 1550 CD2 LEU A 94 -8.951 -0.333 -1.267 1.00 64.00 C ATOM 0 H LEU A 94 -11.433 -3.540 -3.479 1.00 52.13 H new ATOM 0 HA LEU A 94 -10.954 -2.007 -1.053 1.00 53.03 H new ATOM 0 HB2 LEU A 94 -9.777 -1.919 -3.397 1.00 33.34 H new ATOM 0 HB3 LEU A 94 -11.150 -0.940 -3.872 1.00 33.34 H new ATOM 0 HG LEU A 94 -9.192 0.415 -3.264 1.00 75.34 H new ATOM 0 HD11 LEU A 94 -10.285 1.993 -1.723 1.00 35.53 H new ATOM 0 HD12 LEU A 94 -11.392 1.413 -2.990 1.00 35.53 H new ATOM 0 HD13 LEU A 94 -11.509 0.759 -1.339 1.00 35.53 H new ATOM 0 HD21 LEU A 94 -8.460 0.566 -0.894 1.00 64.00 H new ATOM 0 HD22 LEU A 94 -9.570 -0.761 -0.479 1.00 64.00 H new ATOM 0 HD23 LEU A 94 -8.197 -1.059 -1.570 1.00 64.00 H new ATOM 1562 N GLY A 95 -13.404 -1.469 -0.699 1.00 11.11 N ATOM 1563 CA GLY A 95 -14.718 -0.889 -0.435 1.00 43.11 C ATOM 1564 C GLY A 95 -15.818 -1.941 -0.330 1.00 13.23 C ATOM 1565 O GLY A 95 -16.660 -1.888 0.570 1.00 14.22 O ATOM 0 H GLY A 95 -12.997 -1.970 0.090 1.00 11.11 H new ATOM 0 HA2 GLY A 95 -14.678 -0.318 0.492 1.00 43.11 H new ATOM 0 HA3 GLY A 95 -14.967 -0.188 -1.231 1.00 43.11 H new ATOM 1569 N VAL A 96 -15.819 -2.893 -1.258 1.00 12.23 N ATOM 1570 CA VAL A 96 -16.788 -3.994 -1.240 1.00 71.13 C ATOM 1571 C VAL A 96 -16.219 -5.208 -0.483 1.00 21.44 C ATOM 1572 O VAL A 96 -15.004 -5.353 -0.341 1.00 53.02 O ATOM 1573 CB VAL A 96 -17.182 -4.409 -2.687 1.00 53.31 C ATOM 1574 CG1 VAL A 96 -18.228 -5.527 -2.690 1.00 42.41 C ATOM 1575 CG2 VAL A 96 -17.683 -3.195 -3.472 1.00 24.53 C ATOM 0 H VAL A 96 -15.160 -2.928 -2.035 1.00 12.23 H new ATOM 0 HA VAL A 96 -17.681 -3.644 -0.722 1.00 71.13 H new ATOM 0 HB VAL A 96 -16.289 -4.798 -3.176 1.00 53.31 H new ATOM 0 HG11 VAL A 96 -18.477 -5.789 -3.718 1.00 42.41 H new ATOM 0 HG12 VAL A 96 -17.826 -6.402 -2.180 1.00 42.41 H new ATOM 0 HG13 VAL A 96 -19.126 -5.187 -2.174 1.00 42.41 H new ATOM 0 HG21 VAL A 96 -17.955 -3.502 -4.482 1.00 24.53 H new ATOM 0 HG22 VAL A 96 -18.556 -2.774 -2.973 1.00 24.53 H new ATOM 0 HG23 VAL A 96 -16.896 -2.443 -3.521 1.00 24.53 H new ATOM 1585 N LYS A 97 -17.099 -6.057 0.039 1.00 62.44 N ATOM 1586 CA LYS A 97 -16.680 -7.283 0.727 1.00 71.23 C ATOM 1587 C LYS A 97 -16.839 -8.519 -0.169 1.00 70.15 C ATOM 1588 O LYS A 97 -17.961 -8.926 -0.487 1.00 13.14 O ATOM 1589 CB LYS A 97 -17.488 -7.469 2.021 1.00 62.41 C ATOM 1590 CG LYS A 97 -17.114 -6.489 3.127 1.00 42.52 C ATOM 1591 CD LYS A 97 -15.687 -6.718 3.623 1.00 15.20 C ATOM 1592 CE LYS A 97 -15.288 -5.712 4.696 1.00 13.25 C ATOM 1593 NZ LYS A 97 -15.246 -4.320 4.169 1.00 55.03 N ATOM 0 H LYS A 97 -18.109 -5.922 0.001 1.00 62.44 H new ATOM 0 HA LYS A 97 -15.623 -7.178 0.971 1.00 71.23 H new ATOM 0 HB2 LYS A 97 -18.549 -7.359 1.795 1.00 62.41 H new ATOM 0 HB3 LYS A 97 -17.343 -8.486 2.385 1.00 62.41 H new ATOM 0 HG2 LYS A 97 -17.212 -5.468 2.758 1.00 42.52 H new ATOM 0 HG3 LYS A 97 -17.810 -6.595 3.959 1.00 42.52 H new ATOM 0 HD2 LYS A 97 -15.600 -7.728 4.023 1.00 15.20 H new ATOM 0 HD3 LYS A 97 -14.995 -6.646 2.784 1.00 15.20 H new ATOM 0 HE2 LYS A 97 -15.996 -5.765 5.523 1.00 13.25 H new ATOM 0 HE3 LYS A 97 -14.309 -5.978 5.096 1.00 13.25 H new ATOM 0 HZ1 LYS A 97 -14.780 -3.700 4.862 1.00 55.03 H new ATOM 0 HZ2 LYS A 97 -14.713 -4.303 3.276 1.00 55.03 H new ATOM 0 HZ3 LYS A 97 -16.215 -3.983 4.000 1.00 55.03 H new ATOM 1607 N LEU A 98 -15.713 -9.101 -0.588 1.00 35.32 N ATOM 1608 CA LEU A 98 -15.731 -10.354 -1.356 1.00 63.34 C ATOM 1609 C LEU A 98 -16.471 -11.470 -0.583 1.00 2.12 C ATOM 1610 O LEU A 98 -15.921 -12.117 0.311 1.00 62.24 O ATOM 1611 CB LEU A 98 -14.298 -10.798 -1.753 1.00 42.14 C ATOM 1612 CG LEU A 98 -13.330 -11.196 -0.612 1.00 11.44 C ATOM 1613 CD1 LEU A 98 -12.035 -11.765 -1.189 1.00 3.11 C ATOM 1614 CD2 LEU A 98 -13.027 -10.014 0.312 1.00 55.30 C ATOM 0 H LEU A 98 -14.780 -8.729 -0.411 1.00 35.32 H new ATOM 0 HA LEU A 98 -16.281 -10.167 -2.278 1.00 63.34 H new ATOM 0 HB2 LEU A 98 -14.385 -11.647 -2.431 1.00 42.14 H new ATOM 0 HB3 LEU A 98 -13.838 -9.986 -2.316 1.00 42.14 H new ATOM 0 HG LEU A 98 -13.822 -11.964 -0.015 1.00 11.44 H new ATOM 0 HD11 LEU A 98 -11.364 -12.040 -0.375 1.00 3.11 H new ATOM 0 HD12 LEU A 98 -12.260 -12.647 -1.788 1.00 3.11 H new ATOM 0 HD13 LEU A 98 -11.555 -11.014 -1.816 1.00 3.11 H new ATOM 0 HD21 LEU A 98 -12.345 -10.333 1.100 1.00 55.30 H new ATOM 0 HD22 LEU A 98 -12.566 -9.211 -0.264 1.00 55.30 H new ATOM 0 HD23 LEU A 98 -13.954 -9.655 0.759 1.00 55.30 H new ATOM 1626 N GLU A 99 -17.739 -11.660 -0.931 1.00 42.23 N ATOM 1627 CA GLU A 99 -18.614 -12.612 -0.238 1.00 15.03 C ATOM 1628 C GLU A 99 -18.677 -13.963 -0.966 1.00 30.42 C ATOM 1629 O GLU A 99 -18.472 -15.015 -0.357 1.00 3.12 O ATOM 1630 CB GLU A 99 -20.026 -12.019 -0.116 1.00 31.14 C ATOM 1631 CG GLU A 99 -21.058 -12.976 0.481 1.00 25.10 C ATOM 1632 CD GLU A 99 -22.461 -12.384 0.563 1.00 2.32 C ATOM 1633 OE1 GLU A 99 -22.791 -11.492 -0.248 1.00 64.23 O ATOM 1634 OE2 GLU A 99 -23.248 -12.827 1.426 1.00 70.12 O ATOM 0 H GLU A 99 -18.192 -11.163 -1.698 1.00 42.23 H new ATOM 0 HA GLU A 99 -18.198 -12.790 0.754 1.00 15.03 H new ATOM 0 HB2 GLU A 99 -19.979 -11.122 0.501 1.00 31.14 H new ATOM 0 HB3 GLU A 99 -20.364 -11.708 -1.105 1.00 31.14 H new ATOM 0 HG2 GLU A 99 -21.090 -13.884 -0.121 1.00 25.10 H new ATOM 0 HG3 GLU A 99 -20.736 -13.267 1.481 1.00 25.10 H new ATOM 1641 N HIS A 100 -18.956 -13.918 -2.272 1.00 45.22 N ATOM 1642 CA HIS A 100 -19.135 -15.130 -3.086 1.00 12.35 C ATOM 1643 C HIS A 100 -20.321 -15.982 -2.595 1.00 54.42 C ATOM 1644 O HIS A 100 -20.226 -16.681 -1.584 1.00 41.45 O ATOM 1645 CB HIS A 100 -17.855 -15.978 -3.092 1.00 51.23 C ATOM 1646 CG HIS A 100 -16.657 -15.278 -3.658 1.00 63.54 C ATOM 1647 ND1 HIS A 100 -16.314 -15.334 -4.988 1.00 45.33 N ATOM 1648 CD2 HIS A 100 -15.708 -14.518 -3.064 1.00 31.12 C ATOM 1649 CE1 HIS A 100 -15.210 -14.649 -5.187 1.00 54.22 C ATOM 1650 NE2 HIS A 100 -14.815 -14.140 -4.038 1.00 22.12 N ATOM 0 H HIS A 100 -19.064 -13.049 -2.794 1.00 45.22 H new ATOM 0 HA HIS A 100 -19.352 -14.801 -4.102 1.00 12.35 H new ATOM 0 HB2 HIS A 100 -17.632 -16.287 -2.071 1.00 51.23 H new ATOM 0 HB3 HIS A 100 -18.037 -16.886 -3.667 1.00 51.23 H new ATOM 0 HD2 HIS A 100 -15.661 -14.257 -2.017 1.00 31.12 H new ATOM 0 HE1 HIS A 100 -14.709 -14.524 -6.136 1.00 54.22 H new ATOM 0 HE2 HIS A 100 -13.986 -13.563 -3.895 1.00 22.12 H new ATOM 1659 N HIS A 101 -21.443 -15.918 -3.312 1.00 64.33 N ATOM 1660 CA HIS A 101 -22.624 -16.718 -2.965 1.00 4.51 C ATOM 1661 C HIS A 101 -22.472 -18.181 -3.410 1.00 34.40 C ATOM 1662 O HIS A 101 -22.613 -18.508 -4.592 1.00 15.31 O ATOM 1663 CB HIS A 101 -23.898 -16.108 -3.571 1.00 5.21 C ATOM 1664 CG HIS A 101 -24.525 -15.056 -2.707 1.00 51.13 C ATOM 1665 ND1 HIS A 101 -25.682 -15.273 -1.991 1.00 10.35 N ATOM 1666 CD2 HIS A 101 -24.159 -13.778 -2.439 1.00 40.24 C ATOM 1667 CE1 HIS A 101 -25.998 -14.184 -1.326 1.00 14.11 C ATOM 1668 NE2 HIS A 101 -25.094 -13.262 -1.574 1.00 74.31 N ATOM 0 H HIS A 101 -21.562 -15.325 -4.133 1.00 64.33 H new ATOM 0 HA HIS A 101 -22.712 -16.706 -1.879 1.00 4.51 H new ATOM 0 HB2 HIS A 101 -23.658 -15.674 -4.542 1.00 5.21 H new ATOM 0 HB3 HIS A 101 -24.623 -16.902 -3.747 1.00 5.21 H new ATOM 0 HD2 HIS A 101 -23.295 -13.263 -2.832 1.00 40.24 H new ATOM 0 HE1 HIS A 101 -26.857 -14.066 -0.683 1.00 14.11 H new ATOM 0 HE2 HIS A 101 -25.088 -12.318 -1.188 1.00 74.31 H new ATOM 1677 N HIS A 102 -22.187 -19.056 -2.450 1.00 75.14 N ATOM 1678 CA HIS A 102 -22.058 -20.489 -2.719 1.00 45.22 C ATOM 1679 C HIS A 102 -23.432 -21.123 -3.008 1.00 25.43 C ATOM 1680 O HIS A 102 -24.448 -20.711 -2.443 1.00 35.41 O ATOM 1681 CB HIS A 102 -21.388 -21.190 -1.528 1.00 34.11 C ATOM 1682 CG HIS A 102 -21.136 -22.652 -1.747 1.00 3.52 C ATOM 1683 ND1 HIS A 102 -22.066 -23.630 -1.466 1.00 12.51 N ATOM 1684 CD2 HIS A 102 -20.048 -23.300 -2.225 1.00 75.15 C ATOM 1685 CE1 HIS A 102 -21.564 -24.812 -1.760 1.00 12.22 C ATOM 1686 NE2 HIS A 102 -20.345 -24.639 -2.221 1.00 74.02 N ATOM 0 H HIS A 102 -22.040 -18.799 -1.474 1.00 75.14 H new ATOM 0 HA HIS A 102 -21.434 -20.616 -3.604 1.00 45.22 H new ATOM 0 HB2 HIS A 102 -20.440 -20.696 -1.314 1.00 34.11 H new ATOM 0 HB3 HIS A 102 -22.017 -21.068 -0.646 1.00 34.11 H new ATOM 0 HD2 HIS A 102 -19.122 -22.848 -2.548 1.00 75.15 H new ATOM 0 HE1 HIS A 102 -22.067 -25.760 -1.642 1.00 12.22 H new ATOM 0 HE2 HIS A 102 -19.719 -25.383 -2.527 1.00 74.02 H new ATOM 1695 N HIS A 103 -23.452 -22.128 -3.879 1.00 3.03 N ATOM 1696 CA HIS A 103 -24.699 -22.783 -4.284 1.00 74.20 C ATOM 1697 C HIS A 103 -25.151 -23.840 -3.265 1.00 25.32 C ATOM 1698 O HIS A 103 -24.367 -24.687 -2.835 1.00 52.12 O ATOM 1699 CB HIS A 103 -24.533 -23.421 -5.671 1.00 71.35 C ATOM 1700 CG HIS A 103 -24.302 -22.419 -6.763 1.00 30.24 C ATOM 1701 ND1 HIS A 103 -25.109 -22.319 -7.874 1.00 73.22 N ATOM 1702 CD2 HIS A 103 -23.353 -21.463 -6.908 1.00 12.33 C ATOM 1703 CE1 HIS A 103 -24.670 -21.347 -8.649 1.00 72.14 C ATOM 1704 NE2 HIS A 103 -23.608 -20.811 -8.086 1.00 62.01 N ATOM 0 H HIS A 103 -22.616 -22.510 -4.321 1.00 3.03 H new ATOM 0 HA HIS A 103 -25.474 -22.018 -4.327 1.00 74.20 H new ATOM 0 HB2 HIS A 103 -23.695 -24.118 -5.644 1.00 71.35 H new ATOM 0 HB3 HIS A 103 -25.425 -24.003 -5.904 1.00 71.35 H new ATOM 0 HD2 HIS A 103 -22.545 -21.254 -6.222 1.00 12.33 H new ATOM 0 HE1 HIS A 103 -25.108 -21.042 -9.588 1.00 72.14 H new ATOM 0 HE2 HIS A 103 -23.063 -20.036 -8.465 1.00 62.01 H new ATOM 1713 N HIS A 104 -26.416 -23.770 -2.874 1.00 32.34 N ATOM 1714 CA HIS A 104 -27.010 -24.754 -1.966 1.00 14.22 C ATOM 1715 C HIS A 104 -28.476 -25.023 -2.334 1.00 74.33 C ATOM 1716 O HIS A 104 -29.232 -24.101 -2.628 1.00 21.12 O ATOM 1717 CB HIS A 104 -26.888 -24.293 -0.503 1.00 70.12 C ATOM 1718 CG HIS A 104 -27.294 -22.867 -0.259 1.00 3.51 C ATOM 1719 ND1 HIS A 104 -26.417 -21.919 0.221 1.00 33.20 N ATOM 1720 CD2 HIS A 104 -28.485 -22.230 -0.400 1.00 2.44 C ATOM 1721 CE1 HIS A 104 -27.040 -20.770 0.364 1.00 64.04 C ATOM 1722 NE2 HIS A 104 -28.292 -20.929 -0.007 1.00 31.41 N ATOM 0 H HIS A 104 -27.059 -23.037 -3.172 1.00 32.34 H new ATOM 0 HA HIS A 104 -26.458 -25.688 -2.073 1.00 14.22 H new ATOM 0 HB2 HIS A 104 -27.501 -24.943 0.121 1.00 70.12 H new ATOM 0 HB3 HIS A 104 -25.855 -24.423 -0.180 1.00 70.12 H new ATOM 0 HD2 HIS A 104 -29.408 -22.664 -0.754 1.00 2.44 H new ATOM 0 HE1 HIS A 104 -26.599 -19.852 0.724 1.00 64.04 H new ATOM 0 HE2 HIS A 104 -29.006 -20.201 -0.003 1.00 31.41 H new ATOM 1731 N HIS A 105 -28.862 -26.294 -2.327 1.00 11.51 N ATOM 1732 CA HIS A 105 -30.226 -26.699 -2.692 1.00 43.54 C ATOM 1733 C HIS A 105 -31.094 -26.964 -1.444 1.00 12.12 C ATOM 1734 O HIS A 105 -31.833 -26.044 -1.015 1.00 36.78 O ATOM 1735 CB HIS A 105 -30.163 -27.945 -3.588 1.00 12.00 C ATOM 1736 CG HIS A 105 -29.304 -27.750 -4.802 1.00 30.20 C ATOM 1737 ND1 HIS A 105 -28.025 -28.251 -4.910 1.00 20.22 N ATOM 1738 CD2 HIS A 105 -29.543 -27.094 -5.964 1.00 1.01 C ATOM 1739 CE1 HIS A 105 -27.516 -27.913 -6.075 1.00 55.11 C ATOM 1740 NE2 HIS A 105 -28.415 -27.211 -6.735 1.00 5.23 N ATOM 1741 OXT HIS A 105 -31.010 -28.076 -0.879 1.00 36.78 O ATOM 0 H HIS A 105 -28.250 -27.069 -2.072 1.00 11.51 H new ATOM 0 HA HIS A 105 -30.696 -25.882 -3.239 1.00 43.54 H new ATOM 0 HB2 HIS A 105 -29.778 -28.784 -3.008 1.00 12.00 H new ATOM 0 HB3 HIS A 105 -31.172 -28.211 -3.902 1.00 12.00 H new ATOM 0 HD2 HIS A 105 -30.452 -26.576 -6.232 1.00 1.01 H new ATOM 0 HE1 HIS A 105 -26.528 -28.168 -6.430 1.00 55.11 H new ATOM 0 HE2 HIS A 105 -28.292 -26.818 -7.668 1.00 5.23 H new TER 1750 HIS A 105