USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=32 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 37 TYR OH : rot -95:sc= -1.28 USER MOD Set 1.2: A 58 ASN : amide:sc= 0 K(o=-1.3,f=-2.1) USER MOD Set 2.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -1.1! C(o=-1.1!,f=-4.1!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0884 (180deg=-0.476) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0053 (180deg=-0.16) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 6 MET CE :methyl -166:sc= -0.0216 (180deg=-0.285) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0521 (180deg=-0.344) USER MOD Single : A 12 TYR OH : rot -7:sc= 0.0804 USER MOD Single : A 14 GLN :FLIP amide:sc= 0.203 F(o=-1.2!,f=0.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0237) USER MOD Single : A 23 HIS :FLIP no HE2:sc= 0.127 F(o=-1.3,f=0.13) 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 28 ASN :FLIP amide:sc= -0.376 F(o=-3.3!,f=-0.38) USER MOD Single : A 30 GLN : amide:sc= 0.163! C(o=0.16!,f=-3.9!) 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+ -153:sc= 0.37 (180deg=-1.17) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0.826 (180deg=0.108) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.0514 (180deg=0.051) USER MOD Single : A 54 THR OG1 : rot 28:sc= 0.291 USER MOD Single : A 56 GLN : amide:sc= -0.0206 K(o=-0.021,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.523) USER MOD Single : A 61 LYS NZ :NH3+ 136:sc= 0.474 (180deg=-0.212) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 70 SER OG : rot 5:sc= 0.436 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -22:sc= 0.307 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0.444 (180deg=0.386) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= -0.0927 (180deg=-0.536) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -137:sc= 1.04 (180deg=-0.116) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 0.948 (180deg=0.0646) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-0.93) USER MOD Single : A 102 HIS : no HD1:sc= -0.0735 X(o=-0.073,f=-0.073) USER MOD Single : A 103 HIS : no HE2:sc= 0.722 K(o=0.72,f=-2.2!) USER MOD Single : A 104 HIS : no HE2:sc= 0.401 K(o=0.4,f=-1.9!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.455 -10.247 -6.586 1.00 1.32 N ATOM 2 CA MET A 1 22.099 -10.139 -7.195 1.00 44.12 C ATOM 3 C MET A 1 21.013 -10.086 -6.110 1.00 42.35 C ATOM 4 O MET A 1 20.512 -11.120 -5.662 1.00 4.33 O ATOM 5 CB MET A 1 21.838 -11.321 -8.140 1.00 11.31 C ATOM 6 CG MET A 1 22.850 -11.443 -9.272 1.00 42.21 C ATOM 7 SD MET A 1 22.881 -9.988 -10.341 1.00 62.34 S ATOM 8 CE MET A 1 21.216 -10.015 -11.009 1.00 52.04 C ATOM 0 H1 MET A 1 24.178 -10.094 -7.318 1.00 1.32 H new ATOM 0 H2 MET A 1 23.559 -9.528 -5.841 1.00 1.32 H new ATOM 0 H3 MET A 1 23.576 -11.194 -6.173 1.00 1.32 H new ATOM 0 HA MET A 1 22.061 -9.213 -7.768 1.00 44.12 H new ATOM 0 HB2 MET A 1 21.843 -12.244 -7.561 1.00 11.31 H new ATOM 0 HB3 MET A 1 20.841 -11.218 -8.567 1.00 11.31 H new ATOM 0 HG2 MET A 1 23.843 -11.600 -8.851 1.00 42.21 H new ATOM 0 HG3 MET A 1 22.615 -12.323 -9.870 1.00 42.21 H new ATOM 0 HE1 MET A 1 21.173 -9.395 -11.905 1.00 52.04 H new ATOM 0 HE2 MET A 1 20.942 -11.039 -11.263 1.00 52.04 H new ATOM 0 HE3 MET A 1 20.519 -9.627 -10.266 1.00 52.04 H new ATOM 20 N ASP A 2 20.658 -8.880 -5.685 1.00 64.22 N ATOM 21 CA ASP A 2 19.676 -8.693 -4.612 1.00 52.11 C ATOM 22 C ASP A 2 18.260 -8.506 -5.190 1.00 22.53 C ATOM 23 O ASP A 2 17.761 -7.384 -5.311 1.00 43.41 O ATOM 24 CB ASP A 2 20.081 -7.492 -3.751 1.00 72.40 C ATOM 25 CG ASP A 2 21.518 -7.602 -3.259 1.00 51.33 C ATOM 26 OD1 ASP A 2 22.442 -7.249 -4.021 1.00 41.30 O ATOM 27 OD2 ASP A 2 21.733 -8.056 -2.117 1.00 2.35 O ATOM 0 H ASP A 2 21.034 -8.011 -6.065 1.00 64.22 H new ATOM 0 HA ASP A 2 19.659 -9.586 -3.987 1.00 52.11 H new ATOM 0 HB2 ASP A 2 19.965 -6.576 -4.330 1.00 72.40 H new ATOM 0 HB3 ASP A 2 19.410 -7.416 -2.896 1.00 72.40 H new ATOM 32 N LEU A 3 17.624 -9.616 -5.556 1.00 62.42 N ATOM 33 CA LEU A 3 16.302 -9.587 -6.207 1.00 20.21 C ATOM 34 C LEU A 3 15.152 -9.414 -5.195 1.00 35.54 C ATOM 35 O LEU A 3 13.981 -9.589 -5.540 1.00 40.20 O ATOM 36 CB LEU A 3 16.092 -10.875 -7.018 1.00 41.24 C ATOM 37 CG LEU A 3 17.128 -11.140 -8.127 1.00 0.43 C ATOM 38 CD1 LEU A 3 16.825 -12.451 -8.850 1.00 22.24 C ATOM 39 CD2 LEU A 3 17.176 -9.976 -9.115 1.00 50.14 C ATOM 0 H LEU A 3 17.999 -10.554 -5.415 1.00 62.42 H new ATOM 0 HA LEU A 3 16.285 -8.721 -6.869 1.00 20.21 H new ATOM 0 HB2 LEU A 3 16.098 -11.721 -6.331 1.00 41.24 H new ATOM 0 HB3 LEU A 3 15.102 -10.840 -7.472 1.00 41.24 H new ATOM 0 HG LEU A 3 18.109 -11.229 -7.659 1.00 0.43 H new ATOM 0 HD11 LEU A 3 17.569 -12.617 -9.629 1.00 22.24 H new ATOM 0 HD12 LEU A 3 16.855 -13.275 -8.137 1.00 22.24 H new ATOM 0 HD13 LEU A 3 15.834 -12.397 -9.301 1.00 22.24 H new ATOM 0 HD21 LEU A 3 17.914 -10.186 -9.889 1.00 50.14 H new ATOM 0 HD22 LEU A 3 16.196 -9.848 -9.574 1.00 50.14 H new ATOM 0 HD23 LEU A 3 17.452 -9.063 -8.588 1.00 50.14 H new ATOM 51 N ASN A 4 15.485 -9.062 -3.954 1.00 44.43 N ATOM 52 CA ASN A 4 14.475 -8.857 -2.901 1.00 73.22 C ATOM 53 C ASN A 4 14.373 -7.378 -2.487 1.00 31.44 C ATOM 54 O ASN A 4 13.779 -7.052 -1.461 1.00 70.21 O ATOM 55 CB ASN A 4 14.813 -9.727 -1.686 1.00 11.15 C ATOM 56 CG ASN A 4 14.797 -11.206 -2.023 1.00 20.22 C ATOM 57 OD1 ASN A 4 13.996 -11.662 -2.834 1.00 51.43 O ATOM 58 ND2 ASN A 4 15.694 -11.963 -1.426 1.00 43.22 N ATOM 0 H ASN A 4 16.446 -8.911 -3.647 1.00 44.43 H new ATOM 0 HA ASN A 4 13.505 -9.150 -3.302 1.00 73.22 H new ATOM 0 HB2 ASN A 4 15.797 -9.452 -1.306 1.00 11.15 H new ATOM 0 HB3 ASN A 4 14.097 -9.529 -0.888 1.00 11.15 H new ATOM 0 HD21 ASN A 4 15.738 -12.961 -1.633 1.00 43.22 H new ATOM 0 HD22 ASN A 4 16.345 -11.551 -0.757 1.00 43.22 H new ATOM 65 N ARG A 5 14.946 -6.488 -3.297 1.00 20.40 N ATOM 66 CA ARG A 5 14.913 -5.042 -3.020 1.00 42.43 C ATOM 67 C ARG A 5 14.336 -4.253 -4.208 1.00 55.03 C ATOM 68 O ARG A 5 14.343 -3.021 -4.212 1.00 52.41 O ATOM 69 CB ARG A 5 16.335 -4.539 -2.728 1.00 41.13 C ATOM 70 CG ARG A 5 17.038 -5.264 -1.588 1.00 25.13 C ATOM 71 CD ARG A 5 18.479 -4.793 -1.430 1.00 44.12 C ATOM 72 NE ARG A 5 19.169 -5.483 -0.345 1.00 13.01 N ATOM 73 CZ ARG A 5 20.469 -5.602 -0.264 1.00 72.12 C ATOM 74 NH1 ARG A 5 21.236 -5.141 -1.201 1.00 72.14 N ATOM 75 NH2 ARG A 5 21.004 -6.192 0.752 1.00 32.11 N ATOM 0 H ARG A 5 15.441 -6.738 -4.153 1.00 20.40 H new ATOM 0 HA ARG A 5 14.269 -4.883 -2.155 1.00 42.43 H new ATOM 0 HB2 ARG A 5 16.936 -4.640 -3.632 1.00 41.13 H new ATOM 0 HB3 ARG A 5 16.290 -3.476 -2.493 1.00 41.13 H new ATOM 0 HG2 ARG A 5 16.495 -5.095 -0.658 1.00 25.13 H new ATOM 0 HG3 ARG A 5 17.024 -6.338 -1.775 1.00 25.13 H new ATOM 0 HD2 ARG A 5 19.018 -4.957 -2.363 1.00 44.12 H new ATOM 0 HD3 ARG A 5 18.490 -3.720 -1.241 1.00 44.12 H new ATOM 0 HE ARG A 5 18.603 -5.898 0.395 1.00 13.01 H new ATOM 0 HH11 ARG A 5 20.827 -4.679 -2.013 1.00 72.14 H new ATOM 0 HH12 ARG A 5 22.248 -5.240 -1.126 1.00 72.14 H new ATOM 0 HH21 ARG A 5 20.413 -6.567 1.494 1.00 32.11 H new ATOM 0 HH22 ARG A 5 22.018 -6.284 0.813 1.00 32.11 H new ATOM 89 N MET A 6 13.811 -4.967 -5.201 1.00 42.00 N ATOM 90 CA MET A 6 13.470 -4.357 -6.494 1.00 42.40 C ATOM 91 C MET A 6 12.120 -4.816 -7.043 1.00 4.21 C ATOM 92 O MET A 6 11.876 -4.707 -8.248 1.00 13.42 O ATOM 93 CB MET A 6 14.551 -4.701 -7.519 1.00 72.21 C ATOM 94 CG MET A 6 14.980 -6.164 -7.501 1.00 52.02 C ATOM 95 SD MET A 6 16.375 -6.496 -8.599 1.00 23.10 S ATOM 96 CE MET A 6 15.661 -6.130 -10.202 1.00 31.41 C ATOM 0 H MET A 6 13.611 -5.965 -5.141 1.00 42.00 H new ATOM 0 HA MET A 6 13.407 -3.282 -6.323 1.00 42.40 H new ATOM 0 HB2 MET A 6 14.185 -4.453 -8.515 1.00 72.21 H new ATOM 0 HB3 MET A 6 15.424 -4.075 -7.335 1.00 72.21 H new ATOM 0 HG2 MET A 6 15.249 -6.447 -6.483 1.00 52.02 H new ATOM 0 HG3 MET A 6 14.136 -6.789 -7.793 1.00 52.02 H new ATOM 0 HE1 MET A 6 16.309 -6.521 -10.987 1.00 31.41 H new ATOM 0 HE2 MET A 6 14.678 -6.596 -10.278 1.00 31.41 H new ATOM 0 HE3 MET A 6 15.561 -5.051 -10.318 1.00 31.41 H new ATOM 106 N GLY A 7 11.241 -5.314 -6.190 1.00 0.11 N ATOM 107 CA GLY A 7 9.966 -5.809 -6.679 1.00 61.32 C ATOM 108 C GLY A 7 9.019 -4.684 -7.095 1.00 42.53 C ATOM 109 O GLY A 7 8.033 -4.397 -6.418 1.00 50.45 O ATOM 0 H GLY A 7 11.380 -5.386 -5.182 1.00 0.11 H new ATOM 0 HA2 GLY A 7 10.138 -6.467 -7.531 1.00 61.32 H new ATOM 0 HA3 GLY A 7 9.492 -6.410 -5.903 1.00 61.32 H new ATOM 113 N LYS A 8 9.324 -4.055 -8.225 1.00 3.25 N ATOM 114 CA LYS A 8 8.597 -2.873 -8.688 1.00 30.32 C ATOM 115 C LYS A 8 7.163 -3.195 -9.144 1.00 40.12 C ATOM 116 O LYS A 8 6.893 -4.253 -9.723 1.00 60.10 O ATOM 117 CB LYS A 8 9.384 -2.192 -9.808 1.00 52.25 C ATOM 118 CG LYS A 8 9.681 -3.100 -10.990 1.00 73.03 C ATOM 119 CD LYS A 8 10.600 -2.427 -12.001 1.00 23.20 C ATOM 120 CE LYS A 8 10.779 -3.284 -13.241 1.00 23.42 C ATOM 121 NZ LYS A 8 9.501 -3.463 -13.974 1.00 1.01 N ATOM 0 H LYS A 8 10.079 -4.347 -8.846 1.00 3.25 H new ATOM 0 HA LYS A 8 8.502 -2.193 -7.841 1.00 30.32 H new ATOM 0 HB2 LYS A 8 8.823 -1.326 -10.159 1.00 52.25 H new ATOM 0 HB3 LYS A 8 10.325 -1.819 -9.403 1.00 52.25 H new ATOM 0 HG2 LYS A 8 10.144 -4.021 -10.634 1.00 73.03 H new ATOM 0 HG3 LYS A 8 8.747 -3.380 -11.477 1.00 73.03 H new ATOM 0 HD2 LYS A 8 10.187 -1.458 -12.283 1.00 23.20 H new ATOM 0 HD3 LYS A 8 11.571 -2.239 -11.543 1.00 23.20 H new ATOM 0 HE2 LYS A 8 11.515 -2.822 -13.900 1.00 23.42 H new ATOM 0 HE3 LYS A 8 11.174 -4.259 -12.956 1.00 23.42 H new ATOM 0 HZ1 LYS A 8 9.697 -3.811 -14.934 1.00 1.01 H new ATOM 0 HZ2 LYS A 8 8.906 -4.152 -13.471 1.00 1.01 H new ATOM 0 HZ3 LYS A 8 9.003 -2.552 -14.031 1.00 1.01 H new ATOM 135 N ASP A 9 6.251 -2.259 -8.882 1.00 64.42 N ATOM 136 CA ASP A 9 4.830 -2.434 -9.193 1.00 2.43 C ATOM 137 C ASP A 9 4.078 -1.101 -9.042 1.00 41.41 C ATOM 138 O ASP A 9 4.674 -0.079 -8.695 1.00 14.22 O ATOM 139 CB ASP A 9 4.212 -3.486 -8.260 1.00 2.40 C ATOM 140 CG ASP A 9 3.108 -4.289 -8.929 1.00 61.22 C ATOM 141 OD1 ASP A 9 1.957 -3.811 -8.974 1.00 1.32 O ATOM 142 OD2 ASP A 9 3.391 -5.397 -9.424 1.00 63.40 O ATOM 0 H ASP A 9 6.473 -1.362 -8.450 1.00 64.42 H new ATOM 0 HA ASP A 9 4.742 -2.773 -10.225 1.00 2.43 H new ATOM 0 HB2 ASP A 9 4.993 -4.165 -7.918 1.00 2.40 H new ATOM 0 HB3 ASP A 9 3.810 -2.990 -7.376 1.00 2.40 H new ATOM 147 N GLU A 10 2.773 -1.128 -9.289 1.00 24.43 N ATOM 148 CA GLU A 10 1.920 0.059 -9.162 1.00 51.12 C ATOM 149 C GLU A 10 0.765 -0.191 -8.175 1.00 44.42 C ATOM 150 O GLU A 10 -0.117 -1.016 -8.425 1.00 52.20 O ATOM 151 CB GLU A 10 1.368 0.463 -10.543 1.00 43.10 C ATOM 152 CG GLU A 10 0.768 -0.704 -11.330 1.00 14.10 C ATOM 153 CD GLU A 10 0.176 -0.291 -12.670 1.00 22.10 C ATOM 154 OE1 GLU A 10 0.949 0.123 -13.562 1.00 33.55 O ATOM 155 OE2 GLU A 10 -1.060 -0.405 -12.837 1.00 25.13 O ATOM 0 H GLU A 10 2.273 -1.968 -9.582 1.00 24.43 H new ATOM 0 HA GLU A 10 2.526 0.875 -8.769 1.00 51.12 H new ATOM 0 HB2 GLU A 10 0.605 1.230 -10.410 1.00 43.10 H new ATOM 0 HB3 GLU A 10 2.171 0.910 -11.129 1.00 43.10 H new ATOM 0 HG2 GLU A 10 1.541 -1.454 -11.499 1.00 14.10 H new ATOM 0 HG3 GLU A 10 -0.009 -1.176 -10.729 1.00 14.10 H new ATOM 162 N TYR A 11 0.772 0.523 -7.049 1.00 4.01 N ATOM 163 CA TYR A 11 -0.300 0.401 -6.047 1.00 14.33 C ATOM 164 C TYR A 11 -1.405 1.434 -6.298 1.00 4.12 C ATOM 165 O TYR A 11 -1.118 2.597 -6.563 1.00 33.24 O ATOM 166 CB TYR A 11 0.242 0.623 -4.627 1.00 24.24 C ATOM 167 CG TYR A 11 1.255 -0.398 -4.148 1.00 62.14 C ATOM 168 CD1 TYR A 11 2.591 -0.315 -4.517 1.00 74.43 C ATOM 169 CD2 TYR A 11 0.879 -1.421 -3.288 1.00 20.13 C ATOM 170 CE1 TYR A 11 3.515 -1.219 -4.041 1.00 60.33 C ATOM 171 CE2 TYR A 11 1.799 -2.333 -2.814 1.00 61.32 C ATOM 172 CZ TYR A 11 3.117 -2.227 -3.193 1.00 72.24 C ATOM 173 OH TYR A 11 4.049 -3.123 -2.715 1.00 63.53 O ATOM 0 H TYR A 11 1.503 1.191 -6.804 1.00 4.01 H new ATOM 0 HA TYR A 11 -0.703 -0.608 -6.137 1.00 14.33 H new ATOM 0 HB2 TYR A 11 0.699 1.611 -4.582 1.00 24.24 H new ATOM 0 HB3 TYR A 11 -0.598 0.629 -3.933 1.00 24.24 H new ATOM 0 HD1 TYR A 11 2.910 0.470 -5.187 1.00 74.43 H new ATOM 0 HD2 TYR A 11 -0.154 -1.504 -2.984 1.00 20.13 H new ATOM 0 HE1 TYR A 11 4.551 -1.137 -4.333 1.00 60.33 H new ATOM 0 HE2 TYR A 11 1.486 -3.125 -2.150 1.00 61.32 H new ATOM 0 HH TYR A 11 3.608 -3.772 -2.128 1.00 63.53 H new ATOM 183 N TYR A 12 -2.663 1.007 -6.204 1.00 35.43 N ATOM 184 CA TYR A 12 -3.809 1.922 -6.328 1.00 32.44 C ATOM 185 C TYR A 12 -4.310 2.357 -4.941 1.00 42.22 C ATOM 186 O TYR A 12 -5.031 1.619 -4.264 1.00 22.12 O ATOM 187 CB TYR A 12 -4.941 1.249 -7.124 1.00 3.05 C ATOM 188 CG TYR A 12 -4.637 1.085 -8.608 1.00 20.13 C ATOM 189 CD1 TYR A 12 -3.481 0.440 -9.042 1.00 11.12 C ATOM 190 CD2 TYR A 12 -5.505 1.585 -9.577 1.00 10.13 C ATOM 191 CE1 TYR A 12 -3.202 0.300 -10.389 1.00 2.43 C ATOM 192 CE2 TYR A 12 -5.230 1.449 -10.925 1.00 62.25 C ATOM 193 CZ TYR A 12 -4.079 0.804 -11.325 1.00 71.12 C ATOM 194 OH TYR A 12 -3.796 0.682 -12.668 1.00 32.31 O ATOM 0 H TYR A 12 -2.920 0.033 -6.042 1.00 35.43 H new ATOM 0 HA TYR A 12 -3.485 2.813 -6.866 1.00 32.44 H new ATOM 0 HB2 TYR A 12 -5.142 0.268 -6.693 1.00 3.05 H new ATOM 0 HB3 TYR A 12 -5.851 1.838 -7.012 1.00 3.05 H new ATOM 0 HD1 TYR A 12 -2.790 0.042 -8.313 1.00 11.12 H new ATOM 0 HD2 TYR A 12 -6.410 2.088 -9.269 1.00 10.13 H new ATOM 0 HE1 TYR A 12 -2.300 -0.202 -10.706 1.00 2.43 H new ATOM 0 HE2 TYR A 12 -5.913 1.846 -11.661 1.00 62.25 H new ATOM 0 HH TYR A 12 -2.891 0.323 -12.780 1.00 32.31 H new ATOM 204 N VAL A 13 -3.918 3.559 -4.520 1.00 63.22 N ATOM 205 CA VAL A 13 -4.251 4.061 -3.178 1.00 73.32 C ATOM 206 C VAL A 13 -5.056 5.370 -3.226 1.00 64.44 C ATOM 207 O VAL A 13 -4.890 6.184 -4.134 1.00 52.11 O ATOM 208 CB VAL A 13 -2.969 4.293 -2.338 1.00 1.51 C ATOM 209 CG1 VAL A 13 -2.224 2.979 -2.110 1.00 73.11 C ATOM 210 CG2 VAL A 13 -2.058 5.320 -3.011 1.00 63.03 C ATOM 0 H VAL A 13 -3.369 4.207 -5.085 1.00 63.22 H new ATOM 0 HA VAL A 13 -4.868 3.293 -2.711 1.00 73.32 H new ATOM 0 HB VAL A 13 -3.268 4.687 -1.367 1.00 1.51 H new ATOM 0 HG11 VAL A 13 -1.328 3.167 -1.518 1.00 73.11 H new ATOM 0 HG12 VAL A 13 -2.871 2.282 -1.578 1.00 73.11 H new ATOM 0 HG13 VAL A 13 -1.941 2.550 -3.071 1.00 73.11 H new ATOM 0 HG21 VAL A 13 -1.165 5.467 -2.404 1.00 63.03 H new ATOM 0 HG22 VAL A 13 -1.770 4.959 -3.999 1.00 63.03 H new ATOM 0 HG23 VAL A 13 -2.589 6.267 -3.111 1.00 63.03 H new ATOM 220 N GLN A 14 -5.931 5.562 -2.242 1.00 54.54 N ATOM 221 CA GLN A 14 -6.704 6.803 -2.115 1.00 32.33 C ATOM 222 C GLN A 14 -5.969 7.778 -1.175 1.00 11.04 C ATOM 223 O GLN A 14 -5.281 7.355 -0.245 1.00 34.04 O ATOM 224 CB GLN A 14 -8.116 6.490 -1.574 1.00 74.45 C ATOM 225 CG GLN A 14 -9.242 7.367 -2.134 1.00 54.14 C ATOM 226 CD GLN A 14 -9.140 8.837 -1.750 1.00 42.41 C ATOM 227 OE1 GLN A 14 -8.534 9.639 -2.603 1.00 62.43 O flip ATOM 228 NE2 GLN A 14 -9.636 9.255 -0.712 1.00 42.41 N flip ATOM 0 H GLN A 14 -6.126 4.873 -1.516 1.00 54.54 H new ATOM 0 HA GLN A 14 -6.804 7.269 -3.095 1.00 32.33 H new ATOM 0 HB2 GLN A 14 -8.348 5.447 -1.792 1.00 74.45 H new ATOM 0 HB3 GLN A 14 -8.103 6.594 -0.489 1.00 74.45 H new ATOM 0 HG2 GLN A 14 -9.243 7.287 -3.221 1.00 54.14 H new ATOM 0 HG3 GLN A 14 -10.198 6.978 -1.785 1.00 54.14 H new ATOM 0 HE21 GLN A 14 -10.098 8.610 -0.072 1.00 42.41 H new ATOM 0 HE22 GLN A 14 -9.587 10.249 -0.487 1.00 42.41 H new ATOM 237 N ILE A 15 -6.107 9.076 -1.423 1.00 24.51 N ATOM 238 CA ILE A 15 -5.418 10.093 -0.620 1.00 12.31 C ATOM 239 C ILE A 15 -5.921 10.112 0.834 1.00 0.01 C ATOM 240 O ILE A 15 -6.915 10.764 1.155 1.00 41.22 O ATOM 241 CB ILE A 15 -5.581 11.509 -1.231 1.00 73.32 C ATOM 242 CG1 ILE A 15 -5.276 11.479 -2.739 1.00 34.24 C ATOM 243 CG2 ILE A 15 -4.677 12.518 -0.513 1.00 51.23 C ATOM 244 CD1 ILE A 15 -3.929 10.884 -3.087 1.00 44.43 C ATOM 0 H ILE A 15 -6.688 9.453 -2.172 1.00 24.51 H new ATOM 0 HA ILE A 15 -4.363 9.821 -0.624 1.00 12.31 H new ATOM 0 HB ILE A 15 -6.615 11.827 -1.095 1.00 73.32 H new ATOM 0 HG12 ILE A 15 -6.055 10.908 -3.245 1.00 34.24 H new ATOM 0 HG13 ILE A 15 -5.323 12.496 -3.128 1.00 34.24 H new ATOM 0 HG21 ILE A 15 -4.808 13.504 -0.958 1.00 51.23 H new ATOM 0 HG22 ILE A 15 -4.944 12.558 0.543 1.00 51.23 H new ATOM 0 HG23 ILE A 15 -3.636 12.210 -0.613 1.00 51.23 H new ATOM 0 HD11 ILE A 15 -3.792 10.900 -4.168 1.00 44.43 H new ATOM 0 HD12 ILE A 15 -3.140 11.468 -2.613 1.00 44.43 H new ATOM 0 HD13 ILE A 15 -3.883 9.855 -2.731 1.00 44.43 H new ATOM 256 N THR A 16 -5.240 9.369 1.702 1.00 21.10 N ATOM 257 CA THR A 16 -5.578 9.333 3.129 1.00 41.13 C ATOM 258 C THR A 16 -5.014 10.551 3.873 1.00 61.30 C ATOM 259 O THR A 16 -5.760 11.331 4.465 1.00 75.02 O ATOM 260 CB THR A 16 -5.043 8.048 3.803 1.00 54.24 C ATOM 261 OG1 THR A 16 -3.618 7.969 3.635 1.00 45.30 O ATOM 262 CG2 THR A 16 -5.699 6.804 3.211 1.00 23.52 C ATOM 0 H THR A 16 -4.448 8.781 1.445 1.00 21.10 H new ATOM 0 HA THR A 16 -6.666 9.348 3.189 1.00 41.13 H new ATOM 0 HB THR A 16 -5.286 8.092 4.865 1.00 54.24 H new ATOM 0 HG1 THR A 16 -3.283 7.155 4.065 1.00 45.30 H new ATOM 0 HG21 THR A 16 -5.304 5.915 3.703 1.00 23.52 H new ATOM 0 HG22 THR A 16 -6.777 6.854 3.363 1.00 23.52 H new ATOM 0 HG23 THR A 16 -5.485 6.753 2.143 1.00 23.52 H new ATOM 270 N VAL A 17 -3.691 10.706 3.839 1.00 62.15 N ATOM 271 CA VAL A 17 -3.016 11.817 4.524 1.00 23.33 C ATOM 272 C VAL A 17 -2.239 12.711 3.540 1.00 21.35 C ATOM 273 O VAL A 17 -1.404 12.234 2.770 1.00 52.21 O ATOM 274 CB VAL A 17 -2.055 11.291 5.623 1.00 53.13 C ATOM 275 CG1 VAL A 17 -2.840 10.568 6.715 1.00 12.20 C ATOM 276 CG2 VAL A 17 -0.991 10.366 5.030 1.00 41.43 C ATOM 0 H VAL A 17 -3.060 10.076 3.344 1.00 62.15 H new ATOM 0 HA VAL A 17 -3.795 12.420 4.990 1.00 23.33 H new ATOM 0 HB VAL A 17 -1.547 12.148 6.065 1.00 53.13 H new ATOM 0 HG11 VAL A 17 -2.152 10.205 7.478 1.00 12.20 H new ATOM 0 HG12 VAL A 17 -3.553 11.257 7.167 1.00 12.20 H new ATOM 0 HG13 VAL A 17 -3.377 9.725 6.280 1.00 12.20 H new ATOM 0 HG21 VAL A 17 -0.332 10.013 5.824 1.00 41.43 H new ATOM 0 HG22 VAL A 17 -1.475 9.513 4.554 1.00 41.43 H new ATOM 0 HG23 VAL A 17 -0.407 10.912 4.289 1.00 41.43 H new ATOM 286 N ASP A 18 -2.528 14.011 3.567 1.00 62.43 N ATOM 287 CA ASP A 18 -1.881 14.981 2.670 1.00 5.54 C ATOM 288 C ASP A 18 -1.358 16.215 3.434 1.00 11.03 C ATOM 289 O ASP A 18 -1.722 16.452 4.591 1.00 61.00 O ATOM 290 CB ASP A 18 -2.871 15.413 1.579 1.00 32.41 C ATOM 291 CG ASP A 18 -4.128 16.051 2.148 1.00 63.43 C ATOM 292 OD1 ASP A 18 -4.972 15.323 2.711 1.00 34.15 O ATOM 293 OD2 ASP A 18 -4.279 17.285 2.039 1.00 32.24 O ATOM 0 H ASP A 18 -3.210 14.424 4.203 1.00 62.43 H new ATOM 0 HA ASP A 18 -1.019 14.493 2.214 1.00 5.54 H new ATOM 0 HB2 ASP A 18 -2.381 16.119 0.909 1.00 32.41 H new ATOM 0 HB3 ASP A 18 -3.148 14.545 0.981 1.00 32.41 H new ATOM 298 N GLY A 19 -0.494 16.997 2.780 1.00 42.31 N ATOM 299 CA GLY A 19 -0.017 18.255 3.360 1.00 73.21 C ATOM 300 C GLY A 19 0.939 18.094 4.544 1.00 2.15 C ATOM 301 O GLY A 19 1.261 19.074 5.219 1.00 11.22 O ATOM 0 H GLY A 19 -0.114 16.784 1.858 1.00 42.31 H new ATOM 0 HA2 GLY A 19 0.484 18.830 2.582 1.00 73.21 H new ATOM 0 HA3 GLY A 19 -0.878 18.839 3.683 1.00 73.21 H new ATOM 305 N LYS A 20 1.389 16.869 4.811 1.00 53.01 N ATOM 306 CA LYS A 20 2.278 16.603 5.951 1.00 52.01 C ATOM 307 C LYS A 20 3.669 17.225 5.739 1.00 61.43 C ATOM 308 O LYS A 20 4.534 16.632 5.100 1.00 63.33 O ATOM 309 CB LYS A 20 2.417 15.089 6.164 1.00 54.13 C ATOM 310 CG LYS A 20 1.099 14.381 6.463 1.00 1.41 C ATOM 311 CD LYS A 20 1.267 12.864 6.503 1.00 32.41 C ATOM 312 CE LYS A 20 2.302 12.420 7.533 1.00 70.41 C ATOM 313 NZ LYS A 20 1.925 12.809 8.918 1.00 50.11 N ATOM 0 H LYS A 20 1.156 16.044 4.258 1.00 53.01 H new ATOM 0 HA LYS A 20 1.833 17.060 6.835 1.00 52.01 H new ATOM 0 HB2 LYS A 20 2.861 14.646 5.273 1.00 54.13 H new ATOM 0 HB3 LYS A 20 3.109 14.910 6.987 1.00 54.13 H new ATOM 0 HG2 LYS A 20 0.708 14.729 7.419 1.00 1.41 H new ATOM 0 HG3 LYS A 20 0.364 14.645 5.703 1.00 1.41 H new ATOM 0 HD2 LYS A 20 0.308 12.401 6.733 1.00 32.41 H new ATOM 0 HD3 LYS A 20 1.564 12.508 5.517 1.00 32.41 H new ATOM 0 HE2 LYS A 20 2.421 11.338 7.482 1.00 70.41 H new ATOM 0 HE3 LYS A 20 3.269 12.859 7.285 1.00 70.41 H new ATOM 0 HZ1 LYS A 20 2.614 12.413 9.589 1.00 50.11 H new ATOM 0 HZ2 LYS A 20 1.920 13.846 8.998 1.00 50.11 H new ATOM 0 HZ3 LYS A 20 0.977 12.440 9.136 1.00 50.11 H new ATOM 327 N GLU A 21 3.880 18.421 6.277 1.00 12.13 N ATOM 328 CA GLU A 21 5.142 19.139 6.080 1.00 54.23 C ATOM 329 C GLU A 21 6.284 18.549 6.928 1.00 61.45 C ATOM 330 O GLU A 21 6.345 18.743 8.145 1.00 70.05 O ATOM 331 CB GLU A 21 4.956 20.626 6.389 1.00 21.11 C ATOM 332 CG GLU A 21 3.970 21.328 5.461 1.00 63.03 C ATOM 333 CD GLU A 21 3.923 22.830 5.682 1.00 73.43 C ATOM 334 OE1 GLU A 21 4.707 23.558 5.039 1.00 64.04 O ATOM 335 OE2 GLU A 21 3.111 23.294 6.510 1.00 33.25 O ATOM 0 H GLU A 21 3.198 18.916 6.852 1.00 12.13 H new ATOM 0 HA GLU A 21 5.426 19.023 5.034 1.00 54.23 H new ATOM 0 HB2 GLU A 21 4.612 20.734 7.418 1.00 21.11 H new ATOM 0 HB3 GLU A 21 5.923 21.125 6.322 1.00 21.11 H new ATOM 0 HG2 GLU A 21 4.245 21.126 4.426 1.00 63.03 H new ATOM 0 HG3 GLU A 21 2.974 20.911 5.614 1.00 63.03 H new ATOM 342 N VAL A 22 7.199 17.844 6.267 1.00 51.03 N ATOM 343 CA VAL A 22 8.309 17.168 6.944 1.00 53.42 C ATOM 344 C VAL A 22 9.505 18.103 7.199 1.00 52.02 C ATOM 345 O VAL A 22 10.462 18.158 6.427 1.00 34.31 O ATOM 346 CB VAL A 22 8.777 15.912 6.161 1.00 20.02 C ATOM 347 CG1 VAL A 22 7.740 14.799 6.271 1.00 43.14 C ATOM 348 CG2 VAL A 22 9.050 16.248 4.693 1.00 21.25 C ATOM 0 H VAL A 22 7.195 17.724 5.254 1.00 51.03 H new ATOM 0 HA VAL A 22 7.921 16.854 7.913 1.00 53.42 H new ATOM 0 HB VAL A 22 9.710 15.565 6.605 1.00 20.02 H new ATOM 0 HG11 VAL A 22 8.083 13.926 5.717 1.00 43.14 H new ATOM 0 HG12 VAL A 22 7.602 14.532 7.319 1.00 43.14 H new ATOM 0 HG13 VAL A 22 6.792 15.142 5.856 1.00 43.14 H new ATOM 0 HG21 VAL A 22 9.376 15.350 4.169 1.00 21.25 H new ATOM 0 HG22 VAL A 22 8.138 16.627 4.231 1.00 21.25 H new ATOM 0 HG23 VAL A 22 9.830 17.007 4.632 1.00 21.25 H new ATOM 358 N HIS A 23 9.431 18.850 8.294 1.00 23.52 N ATOM 359 CA HIS A 23 10.557 19.683 8.746 1.00 43.12 C ATOM 360 C HIS A 23 11.480 18.897 9.689 1.00 32.55 C ATOM 361 O HIS A 23 12.429 19.439 10.255 1.00 22.12 O ATOM 362 CB HIS A 23 10.061 20.975 9.417 1.00 52.33 C ATOM 363 CG HIS A 23 9.069 20.764 10.526 1.00 70.30 C ATOM 364 ND1 HIS A 23 7.762 20.404 10.488 1.00 52.05 N flip ATOM 365 CD2 HIS A 23 9.362 20.971 11.858 1.00 25.04 C flip ATOM 366 CE1 HIS A 23 7.306 20.404 11.779 1.00 23.34 C flip ATOM 367 NE2 HIS A 23 8.285 20.750 12.583 1.00 51.54 N flip ATOM 0 H HIS A 23 8.606 18.901 8.891 1.00 23.52 H new ATOM 0 HA HIS A 23 11.134 19.965 7.865 1.00 43.12 H new ATOM 0 HB2 HIS A 23 10.920 21.515 9.814 1.00 52.33 H new ATOM 0 HB3 HIS A 23 9.607 21.612 8.658 1.00 52.33 H new ATOM 0 HD1 HIS A 23 7.220 20.176 9.654 1.00 52.05 H new ATOM 0 HD2 HIS A 23 10.325 21.268 12.246 1.00 25.04 H new ATOM 0 HE1 HIS A 23 6.301 20.158 12.087 1.00 23.34 H new ATOM 376 N SER A 24 11.192 17.609 9.836 1.00 60.25 N ATOM 377 CA SER A 24 12.038 16.695 10.615 1.00 12.25 C ATOM 378 C SER A 24 13.434 16.539 9.984 1.00 62.23 C ATOM 379 O SER A 24 14.381 16.106 10.644 1.00 64.22 O ATOM 380 CB SER A 24 11.363 15.324 10.723 1.00 53.12 C ATOM 381 OG SER A 24 12.073 14.455 11.596 1.00 71.40 O ATOM 0 H SER A 24 10.372 17.165 9.424 1.00 60.25 H new ATOM 0 HA SER A 24 12.164 17.123 11.610 1.00 12.25 H new ATOM 0 HB2 SER A 24 10.342 15.449 11.085 1.00 53.12 H new ATOM 0 HB3 SER A 24 11.298 14.872 9.733 1.00 53.12 H new ATOM 0 HG SER A 24 11.613 13.591 11.642 1.00 71.40 H new ATOM 387 N LYS A 25 13.554 16.894 8.702 1.00 12.23 N ATOM 388 CA LYS A 25 14.832 16.822 7.973 1.00 12.10 C ATOM 389 C LYS A 25 15.482 18.213 7.822 1.00 13.05 C ATOM 390 O LYS A 25 16.241 18.460 6.885 1.00 4.51 O ATOM 391 CB LYS A 25 14.607 16.188 6.590 1.00 30.32 C ATOM 392 CG LYS A 25 14.124 14.740 6.650 1.00 3.41 C ATOM 393 CD LYS A 25 15.146 13.831 7.334 1.00 22.11 C ATOM 394 CE LYS A 25 14.638 12.398 7.457 1.00 1.43 C ATOM 395 NZ LYS A 25 15.628 11.508 8.119 1.00 33.12 N ATOM 0 H LYS A 25 12.776 17.238 8.139 1.00 12.23 H new ATOM 0 HA LYS A 25 15.515 16.201 8.552 1.00 12.10 H new ATOM 0 HB2 LYS A 25 13.877 16.783 6.042 1.00 30.32 H new ATOM 0 HB3 LYS A 25 15.539 16.228 6.026 1.00 30.32 H new ATOM 0 HG2 LYS A 25 13.178 14.694 7.189 1.00 3.41 H new ATOM 0 HG3 LYS A 25 13.933 14.378 5.640 1.00 3.41 H new ATOM 0 HD2 LYS A 25 16.077 13.839 6.767 1.00 22.11 H new ATOM 0 HD3 LYS A 25 15.374 14.222 8.326 1.00 22.11 H new ATOM 0 HE2 LYS A 25 13.708 12.391 8.026 1.00 1.43 H new ATOM 0 HE3 LYS A 25 14.408 12.009 6.465 1.00 1.43 H new ATOM 0 HZ1 LYS A 25 15.241 10.545 8.181 1.00 33.12 H new ATOM 0 HZ2 LYS A 25 16.507 11.493 7.564 1.00 33.12 H new ATOM 0 HZ3 LYS A 25 15.829 11.863 9.076 1.00 33.12 H new ATOM 409 N ALA A 26 15.184 19.112 8.759 1.00 2.02 N ATOM 410 CA ALA A 26 15.768 20.459 8.771 1.00 25.45 C ATOM 411 C ALA A 26 16.139 20.866 10.207 1.00 11.03 C ATOM 412 O ALA A 26 15.285 21.292 10.988 1.00 71.45 O ATOM 413 CB ALA A 26 14.798 21.460 8.152 1.00 42.24 C ATOM 0 H ALA A 26 14.537 18.933 9.527 1.00 2.02 H new ATOM 0 HA ALA A 26 16.680 20.455 8.173 1.00 25.45 H new ATOM 0 HB1 ALA A 26 15.243 22.455 8.167 1.00 42.24 H new ATOM 0 HB2 ALA A 26 14.587 21.173 7.122 1.00 42.24 H new ATOM 0 HB3 ALA A 26 13.870 21.469 8.724 1.00 42.24 H new ATOM 419 N ASP A 27 17.410 20.708 10.561 1.00 32.34 N ATOM 420 CA ASP A 27 17.856 20.884 11.947 1.00 73.22 C ATOM 421 C ASP A 27 18.260 22.335 12.257 1.00 14.04 C ATOM 422 O ASP A 27 19.122 22.909 11.587 1.00 2.00 O ATOM 423 CB ASP A 27 19.039 19.957 12.230 1.00 41.04 C ATOM 424 CG ASP A 27 18.776 18.533 11.774 1.00 4.24 C ATOM 425 OD1 ASP A 27 18.104 17.776 12.506 1.00 3.41 O ATOM 426 OD2 ASP A 27 19.238 18.167 10.676 1.00 23.41 O ATOM 0 H ASP A 27 18.154 20.458 9.909 1.00 32.34 H new ATOM 0 HA ASP A 27 17.013 20.634 12.590 1.00 73.22 H new ATOM 0 HB2 ASP A 27 19.926 20.340 11.726 1.00 41.04 H new ATOM 0 HB3 ASP A 27 19.253 19.960 13.299 1.00 41.04 H new ATOM 431 N ASN A 28 17.616 22.920 13.273 1.00 13.12 N ATOM 432 CA ASN A 28 17.998 24.240 13.812 1.00 0.53 C ATOM 433 C ASN A 28 17.826 25.376 12.783 1.00 33.23 C ATOM 434 O ASN A 28 18.273 26.505 13.006 1.00 35.13 O ATOM 435 CB ASN A 28 19.450 24.208 14.328 1.00 12.34 C ATOM 436 CG ASN A 28 19.662 23.250 15.500 1.00 23.12 C ATOM 437 OD1 ASN A 28 18.922 22.156 15.546 1.00 63.21 O flip ATOM 438 ND2 ASN A 28 20.501 23.487 16.362 1.00 10.32 N flip ATOM 0 H ASN A 28 16.818 22.498 13.747 1.00 13.12 H new ATOM 0 HA ASN A 28 17.320 24.452 14.639 1.00 0.53 H new ATOM 0 HB2 ASN A 28 20.111 23.920 13.510 1.00 12.34 H new ATOM 0 HB3 ASN A 28 19.740 25.213 14.634 1.00 12.34 H new ATOM 0 HD21 ASN A 28 21.062 24.337 16.308 1.00 10.32 H new ATOM 0 HD22 ASN A 28 20.638 22.834 17.133 1.00 10.32 H new ATOM 445 N GLY A 29 17.169 25.076 11.669 1.00 33.45 N ATOM 446 CA GLY A 29 16.926 26.077 10.634 1.00 62.35 C ATOM 447 C GLY A 29 15.780 25.685 9.710 1.00 43.31 C ATOM 448 O GLY A 29 15.829 25.915 8.502 1.00 3.11 O ATOM 0 H GLY A 29 16.795 24.151 11.458 1.00 33.45 H new ATOM 0 HA2 GLY A 29 16.700 27.035 11.103 1.00 62.35 H new ATOM 0 HA3 GLY A 29 17.833 26.216 10.046 1.00 62.35 H new ATOM 452 N GLN A 30 14.733 25.104 10.288 1.00 63.21 N ATOM 453 CA GLN A 30 13.605 24.592 9.508 1.00 11.25 C ATOM 454 C GLN A 30 12.696 25.716 8.981 1.00 0.30 C ATOM 455 O GLN A 30 11.704 26.090 9.608 1.00 53.05 O ATOM 456 CB GLN A 30 12.786 23.571 10.327 1.00 70.00 C ATOM 457 CG GLN A 30 12.390 24.033 11.733 1.00 31.34 C ATOM 458 CD GLN A 30 13.468 23.774 12.780 1.00 64.55 C ATOM 459 OE1 GLN A 30 14.339 24.603 13.017 1.00 44.15 O ATOM 460 NE2 GLN A 30 13.416 22.618 13.413 1.00 33.40 N ATOM 0 H GLN A 30 14.640 24.975 11.295 1.00 63.21 H new ATOM 0 HA GLN A 30 14.028 24.087 8.639 1.00 11.25 H new ATOM 0 HB2 GLN A 30 11.880 23.328 9.773 1.00 70.00 H new ATOM 0 HB3 GLN A 30 13.364 22.651 10.413 1.00 70.00 H new ATOM 0 HG2 GLN A 30 12.167 25.100 11.708 1.00 31.34 H new ATOM 0 HG3 GLN A 30 11.474 23.523 12.031 1.00 31.34 H new ATOM 0 HE21 GLN A 30 12.678 21.949 13.193 1.00 33.40 H new ATOM 0 HE22 GLN A 30 14.113 22.393 14.123 1.00 33.40 H new ATOM 469 N LYS A 31 13.061 26.259 7.822 1.00 33.35 N ATOM 470 CA LYS A 31 12.219 27.233 7.112 1.00 63.25 C ATOM 471 C LYS A 31 11.586 26.591 5.869 1.00 33.02 C ATOM 472 O LYS A 31 10.738 27.183 5.202 1.00 44.43 O ATOM 473 CB LYS A 31 13.057 28.452 6.706 1.00 34.21 C ATOM 474 CG LYS A 31 13.683 29.193 7.885 1.00 5.23 C ATOM 475 CD LYS A 31 14.605 30.316 7.414 1.00 71.44 C ATOM 476 CE LYS A 31 15.224 31.080 8.582 1.00 70.32 C ATOM 477 NZ LYS A 31 16.206 32.101 8.119 1.00 62.42 N ATOM 0 H LYS A 31 13.938 26.043 7.348 1.00 33.35 H new ATOM 0 HA LYS A 31 11.421 27.556 7.780 1.00 63.25 H new ATOM 0 HB2 LYS A 31 13.849 28.128 6.031 1.00 34.21 H new ATOM 0 HB3 LYS A 31 12.427 29.144 6.148 1.00 34.21 H new ATOM 0 HG2 LYS A 31 12.896 29.607 8.515 1.00 5.23 H new ATOM 0 HG3 LYS A 31 14.247 28.491 8.499 1.00 5.23 H new ATOM 0 HD2 LYS A 31 15.398 29.897 6.794 1.00 71.44 H new ATOM 0 HD3 LYS A 31 14.042 31.007 6.787 1.00 71.44 H new ATOM 0 HE2 LYS A 31 14.436 31.568 9.155 1.00 70.32 H new ATOM 0 HE3 LYS A 31 15.719 30.378 9.253 1.00 70.32 H new ATOM 0 HZ1 LYS A 31 16.604 32.598 8.941 1.00 62.42 H new ATOM 0 HZ2 LYS A 31 16.972 31.633 7.594 1.00 62.42 H new ATOM 0 HZ3 LYS A 31 15.729 32.786 7.499 1.00 62.42 H new ATOM 491 N TYR A 32 12.003 25.362 5.592 1.00 34.15 N ATOM 492 CA TYR A 32 11.576 24.616 4.402 1.00 51.35 C ATOM 493 C TYR A 32 11.091 23.206 4.782 1.00 34.21 C ATOM 494 O TYR A 32 11.655 22.564 5.671 1.00 41.25 O ATOM 495 CB TYR A 32 12.743 24.524 3.402 1.00 32.23 C ATOM 496 CG TYR A 32 14.024 23.967 4.003 1.00 61.41 C ATOM 497 CD1 TYR A 32 14.878 24.783 4.743 1.00 65.00 C ATOM 498 CD2 TYR A 32 14.380 22.631 3.837 1.00 51.31 C ATOM 499 CE1 TYR A 32 16.041 24.285 5.298 1.00 21.11 C ATOM 500 CE2 TYR A 32 15.543 22.128 4.388 1.00 43.34 C ATOM 501 CZ TYR A 32 16.370 22.958 5.118 1.00 63.22 C ATOM 502 OH TYR A 32 17.527 22.460 5.674 1.00 10.11 O ATOM 0 H TYR A 32 12.651 24.846 6.187 1.00 34.15 H new ATOM 0 HA TYR A 32 10.744 25.147 3.939 1.00 51.35 H new ATOM 0 HB2 TYR A 32 12.442 23.895 2.564 1.00 32.23 H new ATOM 0 HB3 TYR A 32 12.943 25.517 2.999 1.00 32.23 H new ATOM 0 HD1 TYR A 32 14.626 25.824 4.885 1.00 65.00 H new ATOM 0 HD2 TYR A 32 13.736 21.977 3.268 1.00 51.31 H new ATOM 0 HE1 TYR A 32 16.689 24.932 5.870 1.00 21.11 H new ATOM 0 HE2 TYR A 32 15.804 21.089 4.248 1.00 43.34 H new ATOM 0 HH TYR A 32 17.612 21.509 5.455 1.00 10.11 H new ATOM 512 N LYS A 33 10.040 22.732 4.109 1.00 70.35 N ATOM 513 CA LYS A 33 9.469 21.410 4.397 1.00 22.10 C ATOM 514 C LYS A 33 8.554 20.911 3.264 1.00 20.24 C ATOM 515 O LYS A 33 7.657 21.625 2.804 1.00 4.12 O ATOM 516 CB LYS A 33 8.719 21.426 5.750 1.00 74.14 C ATOM 517 CG LYS A 33 8.016 22.744 6.088 1.00 51.35 C ATOM 518 CD LYS A 33 7.545 22.765 7.545 1.00 34.42 C ATOM 519 CE LYS A 33 7.053 24.140 7.987 1.00 24.12 C ATOM 520 NZ LYS A 33 5.816 24.566 7.279 1.00 4.34 N ATOM 0 H LYS A 33 9.567 23.241 3.362 1.00 70.35 H new ATOM 0 HA LYS A 33 10.298 20.706 4.466 1.00 22.10 H new ATOM 0 HB2 LYS A 33 7.977 20.627 5.746 1.00 74.14 H new ATOM 0 HB3 LYS A 33 9.430 21.197 6.544 1.00 74.14 H new ATOM 0 HG2 LYS A 33 8.696 23.577 5.911 1.00 51.35 H new ATOM 0 HG3 LYS A 33 7.162 22.884 5.425 1.00 51.35 H new ATOM 0 HD2 LYS A 33 6.743 22.038 7.673 1.00 34.42 H new ATOM 0 HD3 LYS A 33 8.365 22.452 8.192 1.00 34.42 H new ATOM 0 HE2 LYS A 33 6.865 24.125 9.061 1.00 24.12 H new ATOM 0 HE3 LYS A 33 7.838 24.875 7.811 1.00 24.12 H new ATOM 0 HZ1 LYS A 33 5.775 25.605 7.246 1.00 4.34 H new ATOM 0 HZ2 LYS A 33 5.823 24.189 6.310 1.00 4.34 H new ATOM 0 HZ3 LYS A 33 4.984 24.203 7.785 1.00 4.34 H new ATOM 534 N ASP A 34 8.801 19.678 2.815 1.00 1.23 N ATOM 535 CA ASP A 34 8.007 19.045 1.749 1.00 51.41 C ATOM 536 C ASP A 34 6.762 18.349 2.323 1.00 20.32 C ATOM 537 O ASP A 34 6.590 18.276 3.538 1.00 53.23 O ATOM 538 CB ASP A 34 8.870 18.022 1.002 1.00 60.13 C ATOM 539 CG ASP A 34 10.147 18.632 0.455 1.00 51.13 C ATOM 540 OD1 ASP A 34 11.108 18.813 1.236 1.00 71.23 O ATOM 541 OD2 ASP A 34 10.198 18.934 -0.753 1.00 72.30 O ATOM 0 H ASP A 34 9.552 19.090 3.175 1.00 1.23 H new ATOM 0 HA ASP A 34 7.677 19.823 1.061 1.00 51.41 H new ATOM 0 HB2 ASP A 34 9.121 17.202 1.675 1.00 60.13 H new ATOM 0 HB3 ASP A 34 8.294 17.595 0.181 1.00 60.13 H new ATOM 546 N TYR A 35 5.907 17.818 1.446 1.00 42.33 N ATOM 547 CA TYR A 35 4.656 17.176 1.879 1.00 52.14 C ATOM 548 C TYR A 35 4.742 15.641 1.782 1.00 15.42 C ATOM 549 O TYR A 35 4.743 15.075 0.691 1.00 10.13 O ATOM 550 CB TYR A 35 3.484 17.697 1.036 1.00 30.02 C ATOM 551 CG TYR A 35 3.492 19.204 0.872 1.00 34.52 C ATOM 552 CD1 TYR A 35 3.303 20.049 1.963 1.00 54.35 C ATOM 553 CD2 TYR A 35 3.717 19.782 -0.370 1.00 52.51 C ATOM 554 CE1 TYR A 35 3.331 21.422 1.814 1.00 15.14 C ATOM 555 CE2 TYR A 35 3.751 21.153 -0.525 1.00 25.02 C ATOM 556 CZ TYR A 35 3.557 21.968 0.568 1.00 14.25 C ATOM 557 OH TYR A 35 3.600 23.336 0.415 1.00 55.41 O ATOM 0 H TYR A 35 6.053 17.818 0.437 1.00 42.33 H new ATOM 0 HA TYR A 35 4.491 17.431 2.926 1.00 52.14 H new ATOM 0 HB2 TYR A 35 3.517 17.230 0.051 1.00 30.02 H new ATOM 0 HB3 TYR A 35 2.546 17.393 1.501 1.00 30.02 H new ATOM 0 HD1 TYR A 35 3.132 19.624 2.941 1.00 54.35 H new ATOM 0 HD2 TYR A 35 3.868 19.147 -1.231 1.00 52.51 H new ATOM 0 HE1 TYR A 35 3.177 22.064 2.668 1.00 15.14 H new ATOM 0 HE2 TYR A 35 3.929 21.585 -1.499 1.00 25.02 H new ATOM 0 HH TYR A 35 3.769 23.555 -0.525 1.00 55.41 H new ATOM 567 N GLU A 36 4.831 14.981 2.932 1.00 64.42 N ATOM 568 CA GLU A 36 4.853 13.515 2.997 1.00 62.13 C ATOM 569 C GLU A 36 3.452 12.918 2.807 1.00 4.54 C ATOM 570 O GLU A 36 2.459 13.446 3.313 1.00 23.14 O ATOM 571 CB GLU A 36 5.415 13.047 4.348 1.00 51.44 C ATOM 572 CG GLU A 36 5.461 11.528 4.510 1.00 40.00 C ATOM 573 CD GLU A 36 5.763 11.097 5.936 1.00 31.01 C ATOM 574 OE1 GLU A 36 6.934 11.187 6.359 1.00 72.22 O ATOM 575 OE2 GLU A 36 4.827 10.674 6.649 1.00 42.52 O ATOM 0 H GLU A 36 4.890 15.439 3.842 1.00 64.42 H new ATOM 0 HA GLU A 36 5.493 13.167 2.186 1.00 62.13 H new ATOM 0 HB2 GLU A 36 6.422 13.446 4.468 1.00 51.44 H new ATOM 0 HB3 GLU A 36 4.807 13.469 5.148 1.00 51.44 H new ATOM 0 HG2 GLU A 36 4.505 11.105 4.202 1.00 40.00 H new ATOM 0 HG3 GLU A 36 6.220 11.119 3.843 1.00 40.00 H new ATOM 582 N TYR A 37 3.383 11.812 2.075 1.00 53.13 N ATOM 583 CA TYR A 37 2.133 11.072 1.895 1.00 71.41 C ATOM 584 C TYR A 37 2.286 9.623 2.380 1.00 43.15 C ATOM 585 O TYR A 37 2.806 8.769 1.664 1.00 1.01 O ATOM 586 CB TYR A 37 1.695 11.100 0.424 1.00 20.44 C ATOM 587 CG TYR A 37 1.274 12.477 -0.058 1.00 45.53 C ATOM 588 CD1 TYR A 37 2.219 13.440 -0.396 1.00 31.42 C ATOM 589 CD2 TYR A 37 -0.072 12.816 -0.162 1.00 43.23 C ATOM 590 CE1 TYR A 37 1.834 14.694 -0.824 1.00 63.43 C ATOM 591 CE2 TYR A 37 -0.459 14.071 -0.588 1.00 24.13 C ATOM 592 CZ TYR A 37 0.498 15.004 -0.919 1.00 40.35 C ATOM 593 OH TYR A 37 0.115 16.256 -1.343 1.00 62.23 O ATOM 0 H TYR A 37 4.183 11.403 1.592 1.00 53.13 H new ATOM 0 HA TYR A 37 1.362 11.556 2.494 1.00 71.41 H new ATOM 0 HB2 TYR A 37 2.515 10.742 -0.198 1.00 20.44 H new ATOM 0 HB3 TYR A 37 0.865 10.407 0.287 1.00 20.44 H new ATOM 0 HD1 TYR A 37 3.270 13.203 -0.322 1.00 31.42 H new ATOM 0 HD2 TYR A 37 -0.825 12.086 0.095 1.00 43.23 H new ATOM 0 HE1 TYR A 37 2.580 15.430 -1.084 1.00 63.43 H new ATOM 0 HE2 TYR A 37 -1.507 14.320 -0.661 1.00 24.13 H new ATOM 0 HH TYR A 37 -0.047 16.829 -0.565 1.00 62.23 H new ATOM 603 N LYS A 38 1.863 9.369 3.617 1.00 23.31 N ATOM 604 CA LYS A 38 1.918 8.025 4.205 1.00 62.32 C ATOM 605 C LYS A 38 0.733 7.172 3.722 1.00 65.54 C ATOM 606 O LYS A 38 -0.340 7.181 4.326 1.00 61.32 O ATOM 607 CB LYS A 38 1.910 8.134 5.739 1.00 34.44 C ATOM 608 CG LYS A 38 2.021 6.797 6.468 1.00 33.41 C ATOM 609 CD LYS A 38 3.398 6.162 6.294 1.00 1.02 C ATOM 610 CE LYS A 38 3.518 4.859 7.071 1.00 61.43 C ATOM 611 NZ LYS A 38 4.897 4.310 7.029 1.00 20.31 N ATOM 0 H LYS A 38 1.475 10.079 4.238 1.00 23.31 H new ATOM 0 HA LYS A 38 2.838 7.536 3.885 1.00 62.32 H new ATOM 0 HB2 LYS A 38 2.737 8.773 6.050 1.00 34.44 H new ATOM 0 HB3 LYS A 38 0.990 8.629 6.051 1.00 34.44 H new ATOM 0 HG2 LYS A 38 1.822 6.945 7.529 1.00 33.41 H new ATOM 0 HG3 LYS A 38 1.258 6.115 6.093 1.00 33.41 H new ATOM 0 HD2 LYS A 38 3.581 5.973 5.236 1.00 1.02 H new ATOM 0 HD3 LYS A 38 4.166 6.859 6.631 1.00 1.02 H new ATOM 0 HE2 LYS A 38 3.226 5.027 8.108 1.00 61.43 H new ATOM 0 HE3 LYS A 38 2.824 4.126 6.659 1.00 61.43 H new ATOM 0 HZ1 LYS A 38 4.869 3.286 7.210 1.00 20.31 H new ATOM 0 HZ2 LYS A 38 5.312 4.485 6.091 1.00 20.31 H new ATOM 0 HZ3 LYS A 38 5.478 4.774 7.756 1.00 20.31 H new ATOM 625 N LEU A 39 0.922 6.450 2.619 1.00 54.54 N ATOM 626 CA LEU A 39 -0.170 5.692 1.995 1.00 50.33 C ATOM 627 C LEU A 39 0.068 4.172 2.082 1.00 71.44 C ATOM 628 O LEU A 39 1.098 3.667 1.635 1.00 35.31 O ATOM 629 CB LEU A 39 -0.312 6.113 0.523 1.00 70.33 C ATOM 630 CG LEU A 39 -0.297 7.632 0.265 1.00 25.11 C ATOM 631 CD1 LEU A 39 -0.460 7.935 -1.220 1.00 21.34 C ATOM 632 CD2 LEU A 39 -1.375 8.343 1.081 1.00 41.24 C ATOM 0 H LEU A 39 1.818 6.372 2.137 1.00 54.54 H new ATOM 0 HA LEU A 39 -1.088 5.916 2.538 1.00 50.33 H new ATOM 0 HB2 LEU A 39 0.497 5.657 -0.047 1.00 70.33 H new ATOM 0 HB3 LEU A 39 -1.245 5.705 0.135 1.00 70.33 H new ATOM 0 HG LEU A 39 0.673 8.011 0.586 1.00 25.11 H new ATOM 0 HD11 LEU A 39 -0.446 9.014 -1.375 1.00 21.34 H new ATOM 0 HD12 LEU A 39 0.358 7.478 -1.777 1.00 21.34 H new ATOM 0 HD13 LEU A 39 -1.409 7.530 -1.572 1.00 21.34 H new ATOM 0 HD21 LEU A 39 -1.339 9.413 0.877 1.00 41.24 H new ATOM 0 HD22 LEU A 39 -2.355 7.954 0.806 1.00 41.24 H new ATOM 0 HD23 LEU A 39 -1.201 8.170 2.143 1.00 41.24 H new ATOM 644 N THR A 40 -0.884 3.444 2.661 1.00 11.11 N ATOM 645 CA THR A 40 -0.802 1.976 2.716 1.00 61.45 C ATOM 646 C THR A 40 -1.276 1.343 1.400 1.00 73.03 C ATOM 647 O THR A 40 -2.450 1.434 1.042 1.00 43.53 O ATOM 648 CB THR A 40 -1.641 1.391 3.881 1.00 0.53 C ATOM 649 OG1 THR A 40 -1.112 1.834 5.143 1.00 73.51 O ATOM 650 CG2 THR A 40 -1.655 -0.136 3.846 1.00 23.11 C ATOM 0 H THR A 40 -1.718 3.838 3.097 1.00 11.11 H new ATOM 0 HA THR A 40 0.248 1.735 2.882 1.00 61.45 H new ATOM 0 HB THR A 40 -2.664 1.748 3.764 1.00 0.53 H new ATOM 0 HG1 THR A 40 -1.650 1.461 5.872 1.00 73.51 H new ATOM 0 HG21 THR A 40 -2.252 -0.514 4.676 1.00 23.11 H new ATOM 0 HG22 THR A 40 -2.088 -0.474 2.905 1.00 23.11 H new ATOM 0 HG23 THR A 40 -0.635 -0.511 3.932 1.00 23.11 H new ATOM 658 N GLY A 41 -0.358 0.698 0.685 1.00 3.33 N ATOM 659 CA GLY A 41 -0.695 0.073 -0.588 1.00 72.33 C ATOM 660 C GLY A 41 -0.947 -1.427 -0.472 1.00 1.44 C ATOM 661 O GLY A 41 -0.265 -2.122 0.278 1.00 15.34 O ATOM 0 H GLY A 41 0.618 0.595 0.964 1.00 3.33 H new ATOM 0 HA2 GLY A 41 -1.583 0.554 -0.998 1.00 72.33 H new ATOM 0 HA3 GLY A 41 0.116 0.245 -1.296 1.00 72.33 H new ATOM 665 N PHE A 42 -1.921 -1.930 -1.229 1.00 10.35 N ATOM 666 CA PHE A 42 -2.254 -3.360 -1.219 1.00 20.14 C ATOM 667 C PHE A 42 -1.760 -4.057 -2.501 1.00 74.11 C ATOM 668 O PHE A 42 -2.328 -3.881 -3.579 1.00 54.41 O ATOM 669 CB PHE A 42 -3.770 -3.547 -1.059 1.00 3.42 C ATOM 670 CG PHE A 42 -4.328 -2.905 0.193 1.00 75.42 C ATOM 671 CD1 PHE A 42 -4.650 -1.553 0.215 1.00 5.33 C ATOM 672 CD2 PHE A 42 -4.519 -3.650 1.351 1.00 60.53 C ATOM 673 CE1 PHE A 42 -5.152 -0.962 1.361 1.00 54.44 C ATOM 674 CE2 PHE A 42 -5.020 -3.060 2.498 1.00 50.54 C ATOM 675 CZ PHE A 42 -5.336 -1.715 2.503 1.00 15.02 C ATOM 0 H PHE A 42 -2.496 -1.370 -1.859 1.00 10.35 H new ATOM 0 HA PHE A 42 -1.747 -3.821 -0.371 1.00 20.14 H new ATOM 0 HB2 PHE A 42 -4.274 -3.126 -1.929 1.00 3.42 H new ATOM 0 HB3 PHE A 42 -3.997 -4.613 -1.044 1.00 3.42 H new ATOM 0 HD1 PHE A 42 -4.507 -0.956 -0.674 1.00 5.33 H new ATOM 0 HD2 PHE A 42 -4.273 -4.702 1.355 1.00 60.53 H new ATOM 0 HE1 PHE A 42 -5.400 0.089 1.362 1.00 54.44 H new ATOM 0 HE2 PHE A 42 -5.164 -3.651 3.390 1.00 50.54 H new ATOM 0 HZ PHE A 42 -5.726 -1.254 3.398 1.00 15.02 H new ATOM 685 N ASP A 43 -0.697 -4.845 -2.365 1.00 61.23 N ATOM 686 CA ASP A 43 -0.078 -5.539 -3.499 1.00 23.23 C ATOM 687 C ASP A 43 -0.710 -6.920 -3.749 1.00 25.35 C ATOM 688 O ASP A 43 -1.301 -7.524 -2.844 1.00 53.03 O ATOM 689 CB ASP A 43 1.428 -5.693 -3.237 1.00 71.54 C ATOM 690 CG ASP A 43 2.156 -6.430 -4.350 1.00 25.32 C ATOM 691 OD1 ASP A 43 2.162 -5.932 -5.494 1.00 1.02 O ATOM 692 OD2 ASP A 43 2.736 -7.501 -4.081 1.00 15.43 O ATOM 0 H ASP A 43 -0.239 -5.022 -1.471 1.00 61.23 H new ATOM 0 HA ASP A 43 -0.247 -4.939 -4.393 1.00 23.23 H new ATOM 0 HB2 ASP A 43 1.872 -4.705 -3.113 1.00 71.54 H new ATOM 0 HB3 ASP A 43 1.574 -6.228 -2.299 1.00 71.54 H new ATOM 697 N LYS A 44 -0.579 -7.399 -4.993 1.00 41.34 N ATOM 698 CA LYS A 44 -1.015 -8.746 -5.389 1.00 71.13 C ATOM 699 C LYS A 44 -2.553 -8.854 -5.418 1.00 20.13 C ATOM 700 O LYS A 44 -3.153 -9.015 -6.483 1.00 21.13 O ATOM 701 CB LYS A 44 -0.379 -9.801 -4.454 1.00 55.20 C ATOM 702 CG LYS A 44 -0.328 -11.223 -5.013 1.00 20.31 C ATOM 703 CD LYS A 44 -1.664 -11.948 -4.902 1.00 71.32 C ATOM 704 CE LYS A 44 -1.533 -13.415 -5.294 1.00 60.42 C ATOM 705 NZ LYS A 44 -2.783 -14.175 -5.034 1.00 31.03 N ATOM 0 H LYS A 44 -0.166 -6.862 -5.756 1.00 41.34 H new ATOM 0 HA LYS A 44 -0.671 -8.941 -6.405 1.00 71.13 H new ATOM 0 HB2 LYS A 44 0.637 -9.486 -4.215 1.00 55.20 H new ATOM 0 HB3 LYS A 44 -0.937 -9.816 -3.518 1.00 55.20 H new ATOM 0 HG2 LYS A 44 -0.025 -11.187 -6.059 1.00 20.31 H new ATOM 0 HG3 LYS A 44 0.434 -11.791 -4.480 1.00 20.31 H new ATOM 0 HD2 LYS A 44 -2.036 -11.874 -3.880 1.00 71.32 H new ATOM 0 HD3 LYS A 44 -2.398 -11.462 -5.544 1.00 71.32 H new ATOM 0 HE2 LYS A 44 -1.279 -13.486 -6.352 1.00 60.42 H new ATOM 0 HE3 LYS A 44 -0.712 -13.867 -4.738 1.00 60.42 H new ATOM 0 HZ1 LYS A 44 -2.651 -15.168 -5.315 1.00 31.03 H new ATOM 0 HZ2 LYS A 44 -3.013 -14.129 -4.021 1.00 31.03 H new ATOM 0 HZ3 LYS A 44 -3.562 -13.761 -5.584 1.00 31.03 H new ATOM 719 N ASP A 45 -3.181 -8.753 -4.254 1.00 3.21 N ATOM 720 CA ASP A 45 -4.643 -8.793 -4.143 1.00 42.03 C ATOM 721 C ASP A 45 -5.125 -8.047 -2.888 1.00 0.23 C ATOM 722 O ASP A 45 -6.093 -7.280 -2.941 1.00 13.43 O ATOM 723 CB ASP A 45 -5.130 -10.247 -4.125 1.00 32.50 C ATOM 724 CG ASP A 45 -6.616 -10.358 -3.837 1.00 54.01 C ATOM 725 OD1 ASP A 45 -7.431 -10.020 -4.721 1.00 45.34 O ATOM 726 OD2 ASP A 45 -6.978 -10.780 -2.719 1.00 33.30 O ATOM 0 H ASP A 45 -2.700 -8.641 -3.362 1.00 3.21 H new ATOM 0 HA ASP A 45 -5.066 -8.289 -5.012 1.00 42.03 H new ATOM 0 HB2 ASP A 45 -4.914 -10.711 -5.087 1.00 32.50 H new ATOM 0 HB3 ASP A 45 -4.574 -10.804 -3.371 1.00 32.50 H new ATOM 731 N GLY A 46 -4.452 -8.280 -1.759 1.00 54.24 N ATOM 732 CA GLY A 46 -4.822 -7.604 -0.516 1.00 34.14 C ATOM 733 C GLY A 46 -3.713 -7.582 0.542 1.00 13.43 C ATOM 734 O GLY A 46 -3.991 -7.432 1.734 1.00 2.14 O ATOM 0 H GLY A 46 -3.662 -8.920 -1.680 1.00 54.24 H new ATOM 0 HA2 GLY A 46 -5.110 -6.578 -0.745 1.00 34.14 H new ATOM 0 HA3 GLY A 46 -5.700 -8.095 -0.096 1.00 34.14 H new ATOM 738 N LYS A 47 -2.455 -7.718 0.114 1.00 62.22 N ATOM 739 CA LYS A 47 -1.314 -7.671 1.044 1.00 43.35 C ATOM 740 C LYS A 47 -0.791 -6.236 1.174 1.00 25.14 C ATOM 741 O LYS A 47 -0.343 -5.639 0.200 1.00 74.02 O ATOM 742 CB LYS A 47 -0.194 -8.615 0.578 1.00 44.33 C ATOM 743 CG LYS A 47 -0.590 -10.099 0.509 1.00 31.05 C ATOM 744 CD LYS A 47 -0.917 -10.703 1.886 1.00 54.20 C ATOM 745 CE LYS A 47 -2.357 -10.440 2.327 1.00 0.22 C ATOM 746 NZ LYS A 47 -2.644 -11.017 3.665 1.00 51.24 N ATOM 0 H LYS A 47 -2.198 -7.861 -0.863 1.00 62.22 H new ATOM 0 HA LYS A 47 -1.654 -8.006 2.024 1.00 43.35 H new ATOM 0 HB2 LYS A 47 0.143 -8.297 -0.409 1.00 44.33 H new ATOM 0 HB3 LYS A 47 0.655 -8.511 1.254 1.00 44.33 H new ATOM 0 HG2 LYS A 47 -1.457 -10.207 -0.143 1.00 31.05 H new ATOM 0 HG3 LYS A 47 0.223 -10.665 0.055 1.00 31.05 H new ATOM 0 HD2 LYS A 47 -0.743 -11.779 1.855 1.00 54.20 H new ATOM 0 HD3 LYS A 47 -0.234 -10.291 2.629 1.00 54.20 H new ATOM 0 HE2 LYS A 47 -2.539 -9.365 2.349 1.00 0.22 H new ATOM 0 HE3 LYS A 47 -3.044 -10.864 1.594 1.00 0.22 H new ATOM 0 HZ1 LYS A 47 -3.631 -10.816 3.925 1.00 51.24 H new ATOM 0 HZ2 LYS A 47 -2.496 -12.046 3.638 1.00 51.24 H new ATOM 0 HZ3 LYS A 47 -2.007 -10.594 4.370 1.00 51.24 H new ATOM 760 N GLU A 48 -0.829 -5.694 2.385 1.00 33.15 N ATOM 761 CA GLU A 48 -0.571 -4.267 2.593 1.00 24.10 C ATOM 762 C GLU A 48 0.879 -3.970 3.007 1.00 60.52 C ATOM 763 O GLU A 48 1.440 -4.622 3.889 1.00 53.41 O ATOM 764 CB GLU A 48 -1.537 -3.702 3.645 1.00 35.14 C ATOM 765 CG GLU A 48 -1.467 -4.404 4.998 1.00 22.31 C ATOM 766 CD GLU A 48 -2.393 -3.782 6.032 1.00 62.40 C ATOM 767 OE1 GLU A 48 -3.610 -4.069 5.997 1.00 64.13 O ATOM 768 OE2 GLU A 48 -1.911 -3.002 6.883 1.00 21.23 O ATOM 0 H GLU A 48 -1.035 -6.215 3.237 1.00 33.15 H new ATOM 0 HA GLU A 48 -0.735 -3.779 1.632 1.00 24.10 H new ATOM 0 HB2 GLU A 48 -1.324 -2.642 3.786 1.00 35.14 H new ATOM 0 HB3 GLU A 48 -2.555 -3.774 3.263 1.00 35.14 H new ATOM 0 HG2 GLU A 48 -1.725 -5.455 4.871 1.00 22.31 H new ATOM 0 HG3 GLU A 48 -0.442 -4.370 5.367 1.00 22.31 H new ATOM 775 N LYS A 49 1.474 -2.982 2.345 1.00 50.15 N ATOM 776 CA LYS A 49 2.779 -2.440 2.734 1.00 0.43 C ATOM 777 C LYS A 49 2.693 -0.908 2.847 1.00 44.21 C ATOM 778 O LYS A 49 1.862 -0.276 2.188 1.00 25.22 O ATOM 779 CB LYS A 49 3.869 -2.831 1.719 1.00 61.43 C ATOM 780 CG LYS A 49 3.968 -4.336 1.458 1.00 24.44 C ATOM 781 CD LYS A 49 5.260 -4.721 0.730 1.00 24.42 C ATOM 782 CE LYS A 49 6.486 -4.532 1.620 1.00 73.42 C ATOM 783 NZ LYS A 49 7.737 -5.017 0.976 1.00 41.14 N ATOM 0 H LYS A 49 1.068 -2.533 1.524 1.00 50.15 H new ATOM 0 HA LYS A 49 3.050 -2.863 3.701 1.00 0.43 H new ATOM 0 HB2 LYS A 49 3.672 -2.322 0.776 1.00 61.43 H new ATOM 0 HB3 LYS A 49 4.833 -2.471 2.080 1.00 61.43 H new ATOM 0 HG2 LYS A 49 3.916 -4.870 2.407 1.00 24.44 H new ATOM 0 HG3 LYS A 49 3.111 -4.656 0.865 1.00 24.44 H new ATOM 0 HD2 LYS A 49 5.201 -5.761 0.408 1.00 24.42 H new ATOM 0 HD3 LYS A 49 5.366 -4.114 -0.169 1.00 24.42 H new ATOM 0 HE2 LYS A 49 6.593 -3.475 1.866 1.00 73.42 H new ATOM 0 HE3 LYS A 49 6.335 -5.064 2.559 1.00 73.42 H new ATOM 0 HZ1 LYS A 49 8.534 -4.898 1.633 1.00 41.14 H new ATOM 0 HZ2 LYS A 49 7.635 -6.023 0.734 1.00 41.14 H new ATOM 0 HZ3 LYS A 49 7.917 -4.469 0.110 1.00 41.14 H new ATOM 797 N GLU A 50 3.542 -0.311 3.677 1.00 32.33 N ATOM 798 CA GLU A 50 3.509 1.140 3.894 1.00 35.45 C ATOM 799 C GLU A 50 4.375 1.883 2.865 1.00 4.20 C ATOM 800 O GLU A 50 5.598 1.753 2.858 1.00 22.30 O ATOM 801 CB GLU A 50 3.978 1.490 5.319 1.00 73.05 C ATOM 802 CG GLU A 50 3.049 0.999 6.433 1.00 62.23 C ATOM 803 CD GLU A 50 3.026 -0.518 6.580 1.00 10.13 C ATOM 804 OE1 GLU A 50 4.021 -1.088 7.082 1.00 2.03 O ATOM 805 OE2 GLU A 50 2.019 -1.147 6.196 1.00 34.13 O ATOM 0 H GLU A 50 4.260 -0.802 4.210 1.00 32.33 H new ATOM 0 HA GLU A 50 2.475 1.463 3.769 1.00 35.45 H new ATOM 0 HB2 GLU A 50 4.969 1.065 5.476 1.00 73.05 H new ATOM 0 HB3 GLU A 50 4.079 2.572 5.399 1.00 73.05 H new ATOM 0 HG2 GLU A 50 3.361 1.443 7.378 1.00 62.23 H new ATOM 0 HG3 GLU A 50 2.037 1.352 6.234 1.00 62.23 H new ATOM 812 N LEU A 51 3.728 2.652 1.988 1.00 52.25 N ATOM 813 CA LEU A 51 4.434 3.472 0.992 1.00 71.35 C ATOM 814 C LEU A 51 4.300 4.972 1.319 1.00 51.43 C ATOM 815 O LEU A 51 3.221 5.550 1.192 1.00 70.11 O ATOM 816 CB LEU A 51 3.890 3.205 -0.429 1.00 31.32 C ATOM 817 CG LEU A 51 4.149 1.800 -1.016 1.00 62.34 C ATOM 818 CD1 LEU A 51 5.620 1.412 -0.891 1.00 34.11 C ATOM 819 CD2 LEU A 51 3.252 0.751 -0.367 1.00 64.04 C ATOM 0 H LEU A 51 2.712 2.727 1.944 1.00 52.25 H new ATOM 0 HA LEU A 51 5.487 3.194 1.027 1.00 71.35 H new ATOM 0 HB2 LEU A 51 2.814 3.377 -0.420 1.00 31.32 H new ATOM 0 HB3 LEU A 51 4.325 3.942 -1.104 1.00 31.32 H new ATOM 0 HG LEU A 51 3.901 1.839 -2.077 1.00 62.34 H new ATOM 0 HD11 LEU A 51 5.771 0.418 -1.313 1.00 34.11 H new ATOM 0 HD12 LEU A 51 6.234 2.133 -1.431 1.00 34.11 H new ATOM 0 HD13 LEU A 51 5.907 1.407 0.161 1.00 34.11 H new ATOM 0 HD21 LEU A 51 3.460 -0.226 -0.803 1.00 64.04 H new ATOM 0 HD22 LEU A 51 3.447 0.719 0.705 1.00 64.04 H new ATOM 0 HD23 LEU A 51 2.207 1.010 -0.538 1.00 64.04 H new ATOM 831 N GLU A 52 5.392 5.596 1.752 1.00 70.11 N ATOM 832 CA GLU A 52 5.391 7.034 2.053 1.00 42.13 C ATOM 833 C GLU A 52 6.418 7.780 1.192 1.00 64.45 C ATOM 834 O GLU A 52 7.560 7.344 1.044 1.00 1.41 O ATOM 835 CB GLU A 52 5.655 7.296 3.551 1.00 61.41 C ATOM 836 CG GLU A 52 7.004 6.794 4.074 1.00 43.05 C ATOM 837 CD GLU A 52 7.094 5.276 4.138 1.00 5.42 C ATOM 838 OE1 GLU A 52 6.613 4.688 5.132 1.00 54.00 O ATOM 839 OE2 GLU A 52 7.639 4.665 3.198 1.00 4.44 O ATOM 0 H GLU A 52 6.289 5.135 1.904 1.00 70.11 H new ATOM 0 HA GLU A 52 4.398 7.415 1.812 1.00 42.13 H new ATOM 0 HB2 GLU A 52 5.590 8.369 3.733 1.00 61.41 H new ATOM 0 HB3 GLU A 52 4.861 6.826 4.131 1.00 61.41 H new ATOM 0 HG2 GLU A 52 7.799 7.172 3.431 1.00 43.05 H new ATOM 0 HG3 GLU A 52 7.176 7.204 5.069 1.00 43.05 H new ATOM 846 N PHE A 53 6.001 8.902 0.611 1.00 74.41 N ATOM 847 CA PHE A 53 6.887 9.704 -0.242 1.00 55.11 C ATOM 848 C PHE A 53 6.716 11.205 0.019 1.00 53.11 C ATOM 849 O PHE A 53 5.671 11.649 0.492 1.00 22.22 O ATOM 850 CB PHE A 53 6.623 9.395 -1.726 1.00 42.32 C ATOM 851 CG PHE A 53 5.193 9.628 -2.158 1.00 64.03 C ATOM 852 CD1 PHE A 53 4.248 8.616 -2.052 1.00 1.11 C ATOM 853 CD2 PHE A 53 4.797 10.857 -2.670 1.00 23.11 C ATOM 854 CE1 PHE A 53 2.941 8.826 -2.445 1.00 33.35 C ATOM 855 CE2 PHE A 53 3.491 11.070 -3.063 1.00 74.51 C ATOM 856 CZ PHE A 53 2.562 10.055 -2.950 1.00 20.15 C ATOM 0 H PHE A 53 5.059 9.279 0.712 1.00 74.41 H new ATOM 0 HA PHE A 53 7.914 9.435 0.005 1.00 55.11 H new ATOM 0 HB2 PHE A 53 7.282 10.012 -2.338 1.00 42.32 H new ATOM 0 HB3 PHE A 53 6.886 8.356 -1.922 1.00 42.32 H new ATOM 0 HD1 PHE A 53 4.539 7.654 -1.658 1.00 1.11 H new ATOM 0 HD2 PHE A 53 5.519 11.655 -2.762 1.00 23.11 H new ATOM 0 HE1 PHE A 53 2.216 8.030 -2.358 1.00 33.35 H new ATOM 0 HE2 PHE A 53 3.196 12.031 -3.459 1.00 74.51 H new ATOM 0 HZ PHE A 53 1.540 10.222 -3.256 1.00 20.15 H new ATOM 866 N THR A 54 7.749 11.983 -0.295 1.00 3.32 N ATOM 867 CA THR A 54 7.692 13.446 -0.157 1.00 64.54 C ATOM 868 C THR A 54 7.423 14.117 -1.513 1.00 65.02 C ATOM 869 O THR A 54 8.216 13.994 -2.452 1.00 72.41 O ATOM 870 CB THR A 54 9.000 14.015 0.454 1.00 24.24 C ATOM 871 OG1 THR A 54 10.139 13.616 -0.325 1.00 74.22 O ATOM 872 CG2 THR A 54 9.181 13.543 1.893 1.00 62.31 C ATOM 0 H THR A 54 8.639 11.630 -0.647 1.00 3.32 H new ATOM 0 HA THR A 54 6.869 13.669 0.522 1.00 64.54 H new ATOM 0 HB THR A 54 8.922 15.102 0.446 1.00 24.24 H new ATOM 0 HG1 THR A 54 9.867 13.479 -1.256 1.00 74.22 H new ATOM 0 HG21 THR A 54 10.105 13.956 2.298 1.00 62.31 H new ATOM 0 HG22 THR A 54 8.338 13.881 2.496 1.00 62.31 H new ATOM 0 HG23 THR A 54 9.230 12.454 1.915 1.00 62.31 H new ATOM 880 N ALA A 55 6.292 14.810 -1.619 1.00 62.23 N ATOM 881 CA ALA A 55 5.901 15.485 -2.861 1.00 33.53 C ATOM 882 C ALA A 55 6.159 16.999 -2.803 1.00 64.30 C ATOM 883 O ALA A 55 6.122 17.615 -1.734 1.00 52.25 O ATOM 884 CB ALA A 55 4.431 15.209 -3.162 1.00 21.13 C ATOM 0 H ALA A 55 5.624 14.921 -0.856 1.00 62.23 H new ATOM 0 HA ALA A 55 6.519 15.083 -3.664 1.00 33.53 H new ATOM 0 HB1 ALA A 55 4.148 15.714 -4.086 1.00 21.13 H new ATOM 0 HB2 ALA A 55 4.278 14.136 -3.273 1.00 21.13 H new ATOM 0 HB3 ALA A 55 3.816 15.580 -2.342 1.00 21.13 H new ATOM 890 N GLN A 56 6.418 17.582 -3.972 1.00 10.01 N ATOM 891 CA GLN A 56 6.657 19.025 -4.115 1.00 63.22 C ATOM 892 C GLN A 56 5.397 19.859 -3.806 1.00 70.35 C ATOM 893 O GLN A 56 5.488 21.001 -3.345 1.00 61.11 O ATOM 894 CB GLN A 56 7.124 19.308 -5.552 1.00 33.34 C ATOM 895 CG GLN A 56 7.308 20.790 -5.883 1.00 34.15 C ATOM 896 CD GLN A 56 7.511 21.044 -7.370 1.00 30.33 C ATOM 897 OE1 GLN A 56 7.013 20.303 -8.215 1.00 32.35 O ATOM 898 NE2 GLN A 56 8.227 22.098 -7.704 1.00 73.31 N ATOM 0 H GLN A 56 6.469 17.069 -4.852 1.00 10.01 H new ATOM 0 HA GLN A 56 7.421 19.316 -3.394 1.00 63.22 H new ATOM 0 HB2 GLN A 56 8.069 18.792 -5.721 1.00 33.34 H new ATOM 0 HB3 GLN A 56 6.399 18.882 -6.246 1.00 33.34 H new ATOM 0 HG2 GLN A 56 6.434 21.345 -5.541 1.00 34.15 H new ATOM 0 HG3 GLN A 56 8.166 21.176 -5.333 1.00 34.15 H new ATOM 0 HE21 GLN A 56 8.627 22.693 -6.979 1.00 73.31 H new ATOM 0 HE22 GLN A 56 8.381 22.319 -8.688 1.00 73.31 H new ATOM 907 N LYS A 57 4.225 19.280 -4.059 1.00 13.24 N ATOM 908 CA LYS A 57 2.960 20.020 -3.965 1.00 32.15 C ATOM 909 C LYS A 57 1.818 19.157 -3.416 1.00 71.50 C ATOM 910 O LYS A 57 1.913 17.927 -3.357 1.00 61.12 O ATOM 911 CB LYS A 57 2.564 20.538 -5.356 1.00 73.12 C ATOM 912 CG LYS A 57 2.399 19.427 -6.397 1.00 20.43 C ATOM 913 CD LYS A 57 1.977 19.969 -7.763 1.00 3.12 C ATOM 914 CE LYS A 57 0.542 20.492 -7.763 1.00 21.30 C ATOM 915 NZ LYS A 57 -0.454 19.404 -7.543 1.00 53.31 N ATOM 0 H LYS A 57 4.121 18.302 -4.331 1.00 13.24 H new ATOM 0 HA LYS A 57 3.120 20.846 -3.273 1.00 32.15 H new ATOM 0 HB2 LYS A 57 1.629 21.092 -5.276 1.00 73.12 H new ATOM 0 HB3 LYS A 57 3.322 21.240 -5.703 1.00 73.12 H new ATOM 0 HG2 LYS A 57 3.339 18.885 -6.498 1.00 20.43 H new ATOM 0 HG3 LYS A 57 1.655 18.712 -6.047 1.00 20.43 H new ATOM 0 HD2 LYS A 57 2.653 20.771 -8.057 1.00 3.12 H new ATOM 0 HD3 LYS A 57 2.074 19.181 -8.509 1.00 3.12 H new ATOM 0 HE2 LYS A 57 0.432 21.246 -6.984 1.00 21.30 H new ATOM 0 HE3 LYS A 57 0.336 20.984 -8.714 1.00 21.30 H new ATOM 0 HZ1 LYS A 57 -1.372 19.689 -7.939 1.00 53.31 H new ATOM 0 HZ2 LYS A 57 -0.128 18.535 -8.013 1.00 53.31 H new ATOM 0 HZ3 LYS A 57 -0.557 19.228 -6.523 1.00 53.31 H new ATOM 929 N ASN A 58 0.735 19.818 -3.019 1.00 65.50 N ATOM 930 CA ASN A 58 -0.512 19.133 -2.685 1.00 23.13 C ATOM 931 C ASN A 58 -1.171 18.590 -3.964 1.00 11.32 C ATOM 932 O ASN A 58 -1.044 19.182 -5.039 1.00 50.23 O ATOM 933 CB ASN A 58 -1.472 20.089 -1.966 1.00 41.03 C ATOM 934 CG ASN A 58 -0.968 20.516 -0.600 1.00 52.15 C ATOM 935 OD1 ASN A 58 -0.301 19.759 0.099 1.00 53.25 O ATOM 936 ND2 ASN A 58 -1.288 21.729 -0.204 1.00 44.20 N ATOM 0 H ASN A 58 0.695 20.832 -2.920 1.00 65.50 H new ATOM 0 HA ASN A 58 -0.285 18.301 -2.019 1.00 23.13 H new ATOM 0 HB2 ASN A 58 -1.626 20.974 -2.584 1.00 41.03 H new ATOM 0 HB3 ASN A 58 -2.442 19.605 -1.855 1.00 41.03 H new ATOM 0 HD21 ASN A 58 -0.980 22.065 0.708 1.00 44.20 H new ATOM 0 HD22 ASN A 58 -1.844 22.333 -0.809 1.00 44.20 H new ATOM 943 N LEU A 59 -1.858 17.462 -3.855 1.00 14.22 N ATOM 944 CA LEU A 59 -2.500 16.832 -5.017 1.00 43.44 C ATOM 945 C LEU A 59 -4.016 16.674 -4.818 1.00 2.44 C ATOM 946 O LEU A 59 -4.562 17.078 -3.787 1.00 4.44 O ATOM 947 CB LEU A 59 -1.821 15.481 -5.312 1.00 4.35 C ATOM 948 CG LEU A 59 -1.459 14.631 -4.080 1.00 61.42 C ATOM 949 CD1 LEU A 59 -2.707 14.107 -3.374 1.00 14.12 C ATOM 950 CD2 LEU A 59 -0.531 13.486 -4.473 1.00 51.51 C ATOM 0 H LEU A 59 -1.989 16.959 -2.978 1.00 14.22 H new ATOM 0 HA LEU A 59 -2.371 17.485 -5.880 1.00 43.44 H new ATOM 0 HB2 LEU A 59 -2.481 14.896 -5.953 1.00 4.35 H new ATOM 0 HB3 LEU A 59 -0.910 15.670 -5.880 1.00 4.35 H new ATOM 0 HG LEU A 59 -0.932 15.273 -3.374 1.00 61.42 H new ATOM 0 HD11 LEU A 59 -2.413 13.512 -2.510 1.00 14.12 H new ATOM 0 HD12 LEU A 59 -3.319 14.947 -3.045 1.00 14.12 H new ATOM 0 HD13 LEU A 59 -3.282 13.488 -4.063 1.00 14.12 H new ATOM 0 HD21 LEU A 59 -0.286 12.896 -3.589 1.00 51.51 H new ATOM 0 HD22 LEU A 59 -1.027 12.851 -5.207 1.00 51.51 H new ATOM 0 HD23 LEU A 59 0.385 13.891 -4.904 1.00 51.51 H new ATOM 962 N ARG A 60 -4.695 16.087 -5.803 1.00 12.50 N ATOM 963 CA ARG A 60 -6.153 15.930 -5.740 1.00 2.31 C ATOM 964 C ARG A 60 -6.562 14.896 -4.677 1.00 23.22 C ATOM 965 O ARG A 60 -6.423 13.688 -4.873 1.00 43.05 O ATOM 966 CB ARG A 60 -6.731 15.548 -7.117 1.00 51.20 C ATOM 967 CG ARG A 60 -6.781 16.703 -8.123 1.00 4.15 C ATOM 968 CD ARG A 60 -5.390 17.183 -8.529 1.00 3.04 C ATOM 969 NE ARG A 60 -5.432 18.262 -9.515 1.00 63.31 N ATOM 970 CZ ARG A 60 -4.567 18.402 -10.485 1.00 33.14 C ATOM 971 NH1 ARG A 60 -3.658 17.507 -10.686 1.00 64.41 N ATOM 972 NH2 ARG A 60 -4.631 19.425 -11.272 1.00 35.25 N ATOM 0 H ARG A 60 -4.265 15.714 -6.650 1.00 12.50 H new ATOM 0 HA ARG A 60 -6.571 16.894 -5.449 1.00 2.31 H new ATOM 0 HB2 ARG A 60 -6.132 14.741 -7.538 1.00 51.20 H new ATOM 0 HB3 ARG A 60 -7.739 15.158 -6.979 1.00 51.20 H new ATOM 0 HG2 ARG A 60 -7.326 16.384 -9.012 1.00 4.15 H new ATOM 0 HG3 ARG A 60 -7.337 17.534 -7.690 1.00 4.15 H new ATOM 0 HD2 ARG A 60 -4.855 17.526 -7.643 1.00 3.04 H new ATOM 0 HD3 ARG A 60 -4.825 16.345 -8.937 1.00 3.04 H new ATOM 0 HE ARG A 60 -6.183 18.948 -9.441 1.00 63.31 H new ATOM 0 HH11 ARG A 60 -3.611 16.684 -10.086 1.00 64.41 H new ATOM 0 HH12 ARG A 60 -2.987 17.623 -11.445 1.00 64.41 H new ATOM 0 HH21 ARG A 60 -5.359 20.127 -11.138 1.00 35.25 H new ATOM 0 HH22 ARG A 60 -3.954 19.530 -12.028 1.00 35.25 H new ATOM 986 N LYS A 61 -7.087 15.392 -3.558 1.00 70.43 N ATOM 987 CA LYS A 61 -7.462 14.550 -2.413 1.00 13.40 C ATOM 988 C LYS A 61 -8.513 13.484 -2.779 1.00 43.13 C ATOM 989 O LYS A 61 -8.619 12.450 -2.119 1.00 3.23 O ATOM 990 CB LYS A 61 -7.983 15.442 -1.277 1.00 22.50 C ATOM 991 CG LYS A 61 -6.912 16.348 -0.669 1.00 43.51 C ATOM 992 CD LYS A 61 -7.499 17.384 0.292 1.00 35.13 C ATOM 993 CE LYS A 61 -8.300 16.742 1.422 1.00 11.50 C ATOM 994 NZ LYS A 61 -7.494 15.776 2.214 1.00 71.31 N ATOM 0 H LYS A 61 -7.266 16.386 -3.415 1.00 70.43 H new ATOM 0 HA LYS A 61 -6.570 14.012 -2.091 1.00 13.40 H new ATOM 0 HB2 LYS A 61 -8.797 16.060 -1.656 1.00 22.50 H new ATOM 0 HB3 LYS A 61 -8.400 14.810 -0.493 1.00 22.50 H new ATOM 0 HG2 LYS A 61 -6.182 15.737 -0.138 1.00 43.51 H new ATOM 0 HG3 LYS A 61 -6.377 16.861 -1.469 1.00 43.51 H new ATOM 0 HD2 LYS A 61 -6.691 17.981 0.716 1.00 35.13 H new ATOM 0 HD3 LYS A 61 -8.142 18.067 -0.263 1.00 35.13 H new ATOM 0 HE2 LYS A 61 -8.679 17.522 2.083 1.00 11.50 H new ATOM 0 HE3 LYS A 61 -9.166 16.230 1.003 1.00 11.50 H new ATOM 0 HZ1 LYS A 61 -7.676 15.921 3.228 1.00 71.31 H new ATOM 0 HZ2 LYS A 61 -7.758 14.805 1.951 1.00 71.31 H new ATOM 0 HZ3 LYS A 61 -6.483 15.925 2.019 1.00 71.31 H new ATOM 1008 N GLU A 62 -9.278 13.733 -3.838 1.00 72.30 N ATOM 1009 CA GLU A 62 -10.335 12.803 -4.264 1.00 32.22 C ATOM 1010 C GLU A 62 -9.865 11.863 -5.391 1.00 51.31 C ATOM 1011 O GLU A 62 -10.680 11.186 -6.026 1.00 34.00 O ATOM 1012 CB GLU A 62 -11.571 13.594 -4.721 1.00 33.30 C ATOM 1013 CG GLU A 62 -12.189 14.461 -3.628 1.00 34.32 C ATOM 1014 CD GLU A 62 -12.583 13.662 -2.392 1.00 72.33 C ATOM 1015 OE1 GLU A 62 -13.601 12.936 -2.444 1.00 13.25 O ATOM 1016 OE2 GLU A 62 -11.882 13.758 -1.362 1.00 10.32 O ATOM 0 H GLU A 62 -9.191 14.567 -4.419 1.00 72.30 H new ATOM 0 HA GLU A 62 -10.590 12.180 -3.407 1.00 32.22 H new ATOM 0 HB2 GLU A 62 -11.293 14.230 -5.562 1.00 33.30 H new ATOM 0 HB3 GLU A 62 -12.324 12.895 -5.085 1.00 33.30 H new ATOM 0 HG2 GLU A 62 -11.479 15.237 -3.342 1.00 34.32 H new ATOM 0 HG3 GLU A 62 -13.070 14.965 -4.025 1.00 34.32 H new ATOM 1023 N ALA A 63 -8.555 11.807 -5.628 1.00 13.01 N ATOM 1024 CA ALA A 63 -7.996 10.964 -6.694 1.00 44.42 C ATOM 1025 C ALA A 63 -7.272 9.726 -6.135 1.00 24.24 C ATOM 1026 O ALA A 63 -7.069 9.598 -4.925 1.00 2.40 O ATOM 1027 CB ALA A 63 -7.044 11.780 -7.567 1.00 72.14 C ATOM 0 H ALA A 63 -7.859 12.333 -5.100 1.00 13.01 H new ATOM 0 HA ALA A 63 -8.830 10.609 -7.299 1.00 44.42 H new ATOM 0 HB1 ALA A 63 -6.636 11.145 -8.353 1.00 72.14 H new ATOM 0 HB2 ALA A 63 -7.586 12.612 -8.017 1.00 72.14 H new ATOM 0 HB3 ALA A 63 -6.230 12.167 -6.954 1.00 72.14 H new ATOM 1033 N PHE A 64 -6.892 8.814 -7.029 1.00 3.00 N ATOM 1034 CA PHE A 64 -6.128 7.614 -6.659 1.00 40.35 C ATOM 1035 C PHE A 64 -4.702 7.676 -7.218 1.00 21.54 C ATOM 1036 O PHE A 64 -4.493 8.000 -8.386 1.00 71.34 O ATOM 1037 CB PHE A 64 -6.833 6.345 -7.165 1.00 34.22 C ATOM 1038 CG PHE A 64 -7.970 5.883 -6.286 1.00 24.02 C ATOM 1039 CD1 PHE A 64 -9.162 6.591 -6.234 1.00 32.31 C ATOM 1040 CD2 PHE A 64 -7.842 4.740 -5.506 1.00 40.14 C ATOM 1041 CE1 PHE A 64 -10.200 6.168 -5.425 1.00 43.35 C ATOM 1042 CE2 PHE A 64 -8.878 4.314 -4.697 1.00 63.54 C ATOM 1043 CZ PHE A 64 -10.059 5.029 -4.657 1.00 3.12 C ATOM 0 H PHE A 64 -7.101 8.881 -8.025 1.00 3.00 H new ATOM 0 HA PHE A 64 -6.073 7.578 -5.571 1.00 40.35 H new ATOM 0 HB2 PHE A 64 -7.215 6.530 -8.169 1.00 34.22 H new ATOM 0 HB3 PHE A 64 -6.100 5.542 -7.246 1.00 34.22 H new ATOM 0 HD1 PHE A 64 -9.280 7.482 -6.832 1.00 32.31 H new ATOM 0 HD2 PHE A 64 -6.921 4.177 -5.532 1.00 40.14 H new ATOM 0 HE1 PHE A 64 -11.122 6.729 -5.394 1.00 43.35 H new ATOM 0 HE2 PHE A 64 -8.764 3.423 -4.097 1.00 63.54 H new ATOM 0 HZ PHE A 64 -10.871 4.698 -4.026 1.00 3.12 H new ATOM 1053 N LEU A 65 -3.722 7.361 -6.381 1.00 1.33 N ATOM 1054 CA LEU A 65 -2.315 7.392 -6.788 1.00 13.45 C ATOM 1055 C LEU A 65 -1.780 5.999 -7.132 1.00 33.44 C ATOM 1056 O LEU A 65 -1.870 5.070 -6.331 1.00 74.32 O ATOM 1057 CB LEU A 65 -1.454 8.010 -5.678 1.00 11.01 C ATOM 1058 CG LEU A 65 -1.645 9.516 -5.461 1.00 45.03 C ATOM 1059 CD1 LEU A 65 -0.849 9.979 -4.244 1.00 13.14 C ATOM 1060 CD2 LEU A 65 -1.222 10.293 -6.705 1.00 52.41 C ATOM 0 H LEU A 65 -3.872 7.080 -5.412 1.00 1.33 H new ATOM 0 HA LEU A 65 -2.257 8.004 -7.688 1.00 13.45 H new ATOM 0 HB2 LEU A 65 -1.672 7.495 -4.743 1.00 11.01 H new ATOM 0 HB3 LEU A 65 -0.405 7.823 -5.908 1.00 11.01 H new ATOM 0 HG LEU A 65 -2.702 9.710 -5.279 1.00 45.03 H new ATOM 0 HD11 LEU A 65 -0.993 11.050 -4.101 1.00 13.14 H new ATOM 0 HD12 LEU A 65 -1.194 9.445 -3.359 1.00 13.14 H new ATOM 0 HD13 LEU A 65 0.210 9.773 -4.402 1.00 13.14 H new ATOM 0 HD21 LEU A 65 -1.364 11.360 -6.533 1.00 52.41 H new ATOM 0 HD22 LEU A 65 -0.171 10.096 -6.917 1.00 52.41 H new ATOM 0 HD23 LEU A 65 -1.828 9.978 -7.554 1.00 52.41 H new ATOM 1072 N ARG A 66 -1.232 5.870 -8.340 1.00 62.32 N ATOM 1073 CA ARG A 66 -0.490 4.673 -8.746 1.00 12.31 C ATOM 1074 C ARG A 66 0.995 4.830 -8.390 1.00 2.21 C ATOM 1075 O ARG A 66 1.770 5.403 -9.160 1.00 75.10 O ATOM 1076 CB ARG A 66 -0.656 4.429 -10.257 1.00 64.13 C ATOM 1077 CG ARG A 66 -2.026 3.878 -10.643 1.00 51.22 C ATOM 1078 CD ARG A 66 -2.285 3.977 -12.142 1.00 21.01 C ATOM 1079 NE ARG A 66 -1.180 3.455 -12.944 1.00 55.35 N ATOM 1080 CZ ARG A 66 -1.332 2.746 -14.026 1.00 12.31 C ATOM 1081 NH1 ARG A 66 -2.505 2.329 -14.391 1.00 20.31 N ATOM 1082 NH2 ARG A 66 -0.300 2.430 -14.736 1.00 40.20 N ATOM 0 H ARG A 66 -1.288 6.588 -9.063 1.00 62.32 H new ATOM 0 HA ARG A 66 -0.890 3.812 -8.211 1.00 12.31 H new ATOM 0 HB2 ARG A 66 -0.488 5.366 -10.788 1.00 64.13 H new ATOM 0 HB3 ARG A 66 0.113 3.732 -10.590 1.00 64.13 H new ATOM 0 HG2 ARG A 66 -2.097 2.836 -10.332 1.00 51.22 H new ATOM 0 HG3 ARG A 66 -2.800 4.425 -10.105 1.00 51.22 H new ATOM 0 HD2 ARG A 66 -3.195 3.429 -12.386 1.00 21.01 H new ATOM 0 HD3 ARG A 66 -2.460 5.020 -12.408 1.00 21.01 H new ATOM 0 HE ARG A 66 -0.229 3.659 -12.637 1.00 55.35 H new ATOM 0 HH11 ARG A 66 -3.325 2.555 -13.828 1.00 20.31 H new ATOM 0 HH12 ARG A 66 -2.607 1.775 -15.241 1.00 20.31 H new ATOM 0 HH21 ARG A 66 0.630 2.736 -14.449 1.00 40.20 H new ATOM 0 HH22 ARG A 66 -0.415 1.875 -15.584 1.00 40.20 H new ATOM 1096 N VAL A 67 1.379 4.353 -7.208 1.00 43.44 N ATOM 1097 CA VAL A 67 2.752 4.534 -6.713 1.00 65.02 C ATOM 1098 C VAL A 67 3.682 3.384 -7.109 1.00 70.20 C ATOM 1099 O VAL A 67 3.282 2.220 -7.178 1.00 63.31 O ATOM 1100 CB VAL A 67 2.793 4.732 -5.175 1.00 63.24 C ATOM 1101 CG1 VAL A 67 1.972 5.956 -4.770 1.00 51.30 C ATOM 1102 CG2 VAL A 67 2.306 3.485 -4.440 1.00 31.14 C ATOM 0 H VAL A 67 0.766 3.840 -6.574 1.00 43.44 H new ATOM 0 HA VAL A 67 3.116 5.441 -7.195 1.00 65.02 H new ATOM 0 HB VAL A 67 3.831 4.901 -4.887 1.00 63.24 H new ATOM 0 HG11 VAL A 67 2.012 6.079 -3.688 1.00 51.30 H new ATOM 0 HG12 VAL A 67 2.381 6.844 -5.252 1.00 51.30 H new ATOM 0 HG13 VAL A 67 0.936 5.819 -5.081 1.00 51.30 H new ATOM 0 HG21 VAL A 67 2.347 3.657 -3.364 1.00 31.14 H new ATOM 0 HG22 VAL A 67 1.279 3.268 -4.733 1.00 31.14 H new ATOM 0 HG23 VAL A 67 2.944 2.639 -4.697 1.00 31.14 H new ATOM 1112 N TYR A 68 4.934 3.744 -7.353 1.00 41.41 N ATOM 1113 CA TYR A 68 5.953 2.824 -7.849 1.00 13.13 C ATOM 1114 C TYR A 68 6.684 2.109 -6.699 1.00 22.22 C ATOM 1115 O TYR A 68 7.369 2.745 -5.898 1.00 0.14 O ATOM 1116 CB TYR A 68 6.945 3.620 -8.700 1.00 65.31 C ATOM 1117 CG TYR A 68 8.045 2.793 -9.319 1.00 5.15 C ATOM 1118 CD1 TYR A 68 7.803 2.025 -10.447 1.00 55.32 C ATOM 1119 CD2 TYR A 68 9.324 2.794 -8.781 1.00 21.43 C ATOM 1120 CE1 TYR A 68 8.812 1.275 -11.027 1.00 43.51 C ATOM 1121 CE2 TYR A 68 10.336 2.048 -9.349 1.00 3.33 C ATOM 1122 CZ TYR A 68 10.078 1.290 -10.471 1.00 64.32 C ATOM 1123 OH TYR A 68 11.090 0.548 -11.041 1.00 21.35 O ATOM 0 H TYR A 68 5.277 4.694 -7.211 1.00 41.41 H new ATOM 0 HA TYR A 68 5.473 2.050 -8.448 1.00 13.13 H new ATOM 0 HB2 TYR A 68 6.397 4.126 -9.495 1.00 65.31 H new ATOM 0 HB3 TYR A 68 7.396 4.395 -8.080 1.00 65.31 H new ATOM 0 HD1 TYR A 68 6.814 2.011 -10.880 1.00 55.32 H new ATOM 0 HD2 TYR A 68 9.531 3.388 -7.903 1.00 21.43 H new ATOM 0 HE1 TYR A 68 8.612 0.682 -11.907 1.00 43.51 H new ATOM 0 HE2 TYR A 68 11.326 2.058 -8.917 1.00 3.33 H new ATOM 0 HH TYR A 68 11.915 0.672 -10.527 1.00 21.35 H new ATOM 1133 N HIS A 69 6.550 0.786 -6.641 1.00 20.33 N ATOM 1134 CA HIS A 69 7.135 -0.007 -5.553 1.00 41.24 C ATOM 1135 C HIS A 69 8.659 -0.154 -5.684 1.00 14.31 C ATOM 1136 O HIS A 69 9.179 -0.514 -6.737 1.00 74.42 O ATOM 1137 CB HIS A 69 6.499 -1.402 -5.510 1.00 72.24 C ATOM 1138 CG HIS A 69 6.916 -2.235 -4.323 1.00 54.13 C ATOM 1139 ND1 HIS A 69 6.875 -3.608 -4.322 1.00 0.13 N ATOM 1140 CD2 HIS A 69 7.381 -1.882 -3.097 1.00 24.42 C ATOM 1141 CE1 HIS A 69 7.292 -4.066 -3.163 1.00 21.34 C ATOM 1142 NE2 HIS A 69 7.610 -3.042 -2.397 1.00 34.20 N ATOM 0 H HIS A 69 6.042 0.236 -7.334 1.00 20.33 H new ATOM 0 HA HIS A 69 6.928 0.532 -4.628 1.00 41.24 H new ATOM 0 HB2 HIS A 69 5.414 -1.295 -5.501 1.00 72.24 H new ATOM 0 HB3 HIS A 69 6.759 -1.936 -6.424 1.00 72.24 H new ATOM 0 HD1 HIS A 69 6.567 -4.186 -5.104 1.00 0.13 H new ATOM 0 HD2 HIS A 69 7.541 -0.876 -2.739 1.00 24.42 H new ATOM 0 HE1 HIS A 69 7.362 -5.107 -2.885 1.00 21.34 H new ATOM 1151 N SER A 70 9.362 0.145 -4.601 1.00 23.31 N ATOM 1152 CA SER A 70 10.791 -0.170 -4.464 1.00 44.41 C ATOM 1153 C SER A 70 11.100 -0.472 -2.997 1.00 42.22 C ATOM 1154 O SER A 70 11.085 0.427 -2.165 1.00 5.24 O ATOM 1155 CB SER A 70 11.669 0.992 -4.958 1.00 60.02 C ATOM 1156 OG SER A 70 11.553 1.184 -6.361 1.00 5.40 O ATOM 0 H SER A 70 8.964 0.614 -3.787 1.00 23.31 H new ATOM 0 HA SER A 70 11.016 -1.042 -5.079 1.00 44.41 H new ATOM 0 HB2 SER A 70 11.383 1.908 -4.441 1.00 60.02 H new ATOM 0 HB3 SER A 70 12.710 0.794 -4.703 1.00 60.02 H new ATOM 0 HG SER A 70 10.869 0.580 -6.718 1.00 5.40 H new ATOM 1162 N ASP A 71 11.371 -1.735 -2.681 1.00 31.44 N ATOM 1163 CA ASP A 71 11.489 -2.180 -1.283 1.00 62.43 C ATOM 1164 C ASP A 71 12.540 -1.389 -0.469 1.00 55.21 C ATOM 1165 O ASP A 71 12.436 -1.294 0.753 1.00 63.10 O ATOM 1166 CB ASP A 71 11.794 -3.680 -1.241 1.00 31.24 C ATOM 1167 CG ASP A 71 10.712 -4.494 -1.935 1.00 4.13 C ATOM 1168 OD1 ASP A 71 9.674 -4.788 -1.295 1.00 61.13 O ATOM 1169 OD2 ASP A 71 10.882 -4.820 -3.129 1.00 14.31 O ATOM 0 H ASP A 71 11.514 -2.474 -3.370 1.00 31.44 H new ATOM 0 HA ASP A 71 10.529 -1.981 -0.807 1.00 62.43 H new ATOM 0 HB2 ASP A 71 12.755 -3.869 -1.719 1.00 31.24 H new ATOM 0 HB3 ASP A 71 11.885 -4.004 -0.204 1.00 31.24 H new ATOM 1174 N LYS A 72 13.544 -0.820 -1.133 1.00 21.42 N ATOM 1175 CA LYS A 72 14.565 -0.013 -0.435 1.00 54.21 C ATOM 1176 C LYS A 72 14.458 1.495 -0.765 1.00 50.05 C ATOM 1177 O LYS A 72 15.394 2.259 -0.538 1.00 13.32 O ATOM 1178 CB LYS A 72 15.971 -0.568 -0.743 1.00 62.55 C ATOM 1179 CG LYS A 72 16.249 -0.846 -2.223 1.00 71.31 C ATOM 1180 CD LYS A 72 16.653 0.405 -2.998 1.00 74.33 C ATOM 1181 CE LYS A 72 17.926 1.032 -2.437 1.00 3.44 C ATOM 1182 NZ LYS A 72 18.454 2.097 -3.325 1.00 63.21 N ATOM 0 H LYS A 72 13.679 -0.896 -2.141 1.00 21.42 H new ATOM 0 HA LYS A 72 14.382 -0.096 0.636 1.00 54.21 H new ATOM 0 HB2 LYS A 72 16.713 0.141 -0.377 1.00 62.55 H new ATOM 0 HB3 LYS A 72 16.110 -1.493 -0.183 1.00 62.55 H new ATOM 0 HG2 LYS A 72 17.042 -1.589 -2.305 1.00 71.31 H new ATOM 0 HG3 LYS A 72 15.359 -1.278 -2.680 1.00 71.31 H new ATOM 0 HD2 LYS A 72 16.805 0.150 -4.047 1.00 74.33 H new ATOM 0 HD3 LYS A 72 15.843 1.133 -2.961 1.00 74.33 H new ATOM 0 HE2 LYS A 72 17.721 1.449 -1.451 1.00 3.44 H new ATOM 0 HE3 LYS A 72 18.684 0.260 -2.305 1.00 3.44 H new ATOM 0 HZ1 LYS A 72 19.319 2.498 -2.910 1.00 63.21 H new ATOM 0 HZ2 LYS A 72 18.673 1.694 -4.258 1.00 63.21 H new ATOM 0 HZ3 LYS A 72 17.741 2.846 -3.430 1.00 63.21 H new ATOM 1196 N LYS A 73 13.297 1.915 -1.267 1.00 51.01 N ATOM 1197 CA LYS A 73 13.043 3.331 -1.612 1.00 22.40 C ATOM 1198 C LYS A 73 11.583 3.753 -1.305 1.00 21.44 C ATOM 1199 O LYS A 73 11.268 4.942 -1.239 1.00 21.14 O ATOM 1200 CB LYS A 73 13.370 3.547 -3.107 1.00 11.41 C ATOM 1201 CG LYS A 73 12.958 4.902 -3.711 1.00 40.14 C ATOM 1202 CD LYS A 73 13.892 6.063 -3.337 1.00 25.00 C ATOM 1203 CE LYS A 73 13.624 6.611 -1.939 1.00 32.04 C ATOM 1204 NZ LYS A 73 14.327 7.896 -1.697 1.00 64.15 N ATOM 0 H LYS A 73 12.506 1.297 -1.448 1.00 51.01 H new ATOM 0 HA LYS A 73 13.686 3.959 -0.995 1.00 22.40 H new ATOM 0 HB2 LYS A 73 14.445 3.426 -3.242 1.00 11.41 H new ATOM 0 HB3 LYS A 73 12.885 2.756 -3.680 1.00 11.41 H new ATOM 0 HG2 LYS A 73 12.927 4.810 -4.797 1.00 40.14 H new ATOM 0 HG3 LYS A 73 11.947 5.142 -3.382 1.00 40.14 H new ATOM 0 HD2 LYS A 73 14.926 5.725 -3.397 1.00 25.00 H new ATOM 0 HD3 LYS A 73 13.776 6.866 -4.065 1.00 25.00 H new ATOM 0 HE2 LYS A 73 12.552 6.755 -1.806 1.00 32.04 H new ATOM 0 HE3 LYS A 73 13.942 5.879 -1.196 1.00 32.04 H new ATOM 0 HZ1 LYS A 73 14.116 8.231 -0.735 1.00 64.15 H new ATOM 0 HZ2 LYS A 73 15.352 7.755 -1.798 1.00 64.15 H new ATOM 0 HZ3 LYS A 73 14.005 8.603 -2.388 1.00 64.15 H new ATOM 1218 N GLY A 74 10.704 2.781 -1.090 1.00 44.32 N ATOM 1219 CA GLY A 74 9.286 3.071 -0.909 1.00 13.41 C ATOM 1220 C GLY A 74 8.594 3.453 -2.216 1.00 64.02 C ATOM 1221 O GLY A 74 8.006 2.601 -2.886 1.00 1.53 O ATOM 0 H GLY A 74 10.946 1.791 -1.037 1.00 44.32 H new ATOM 0 HA2 GLY A 74 8.792 2.198 -0.482 1.00 13.41 H new ATOM 0 HA3 GLY A 74 9.174 3.884 -0.191 1.00 13.41 H new ATOM 1225 N VAL A 75 8.696 4.729 -2.596 1.00 43.55 N ATOM 1226 CA VAL A 75 8.075 5.234 -3.829 1.00 70.25 C ATOM 1227 C VAL A 75 9.031 6.161 -4.598 1.00 0.12 C ATOM 1228 O VAL A 75 9.369 7.247 -4.127 1.00 40.54 O ATOM 1229 CB VAL A 75 6.763 6.011 -3.533 1.00 43.31 C ATOM 1230 CG1 VAL A 75 6.152 6.567 -4.819 1.00 5.12 C ATOM 1231 CG2 VAL A 75 5.757 5.129 -2.801 1.00 54.52 C ATOM 0 H VAL A 75 9.205 5.437 -2.066 1.00 43.55 H new ATOM 0 HA VAL A 75 7.845 4.360 -4.438 1.00 70.25 H new ATOM 0 HB VAL A 75 7.015 6.850 -2.885 1.00 43.31 H new ATOM 0 HG11 VAL A 75 5.235 7.106 -4.583 1.00 5.12 H new ATOM 0 HG12 VAL A 75 6.860 7.246 -5.294 1.00 5.12 H new ATOM 0 HG13 VAL A 75 5.925 5.746 -5.499 1.00 5.12 H new ATOM 0 HG21 VAL A 75 4.848 5.698 -2.606 1.00 54.52 H new ATOM 0 HG22 VAL A 75 5.517 4.262 -3.417 1.00 54.52 H new ATOM 0 HG23 VAL A 75 6.186 4.796 -1.856 1.00 54.52 H new ATOM 1241 N SER A 76 9.462 5.730 -5.781 1.00 24.04 N ATOM 1242 CA SER A 76 10.338 6.557 -6.631 1.00 22.31 C ATOM 1243 C SER A 76 9.527 7.377 -7.646 1.00 65.31 C ATOM 1244 O SER A 76 10.046 8.313 -8.254 1.00 54.42 O ATOM 1245 CB SER A 76 11.363 5.684 -7.373 1.00 55.33 C ATOM 1246 OG SER A 76 12.234 6.476 -8.172 1.00 33.01 O ATOM 0 H SER A 76 9.225 4.821 -6.177 1.00 24.04 H new ATOM 0 HA SER A 76 10.866 7.247 -5.973 1.00 22.31 H new ATOM 0 HB2 SER A 76 11.947 5.112 -6.652 1.00 55.33 H new ATOM 0 HB3 SER A 76 10.842 4.964 -8.004 1.00 55.33 H new ATOM 0 HG SER A 76 11.807 7.337 -8.366 1.00 33.01 H new ATOM 1252 N ALA A 77 8.254 7.021 -7.821 1.00 5.04 N ATOM 1253 CA ALA A 77 7.369 7.713 -8.768 1.00 4.13 C ATOM 1254 C ALA A 77 5.895 7.392 -8.480 1.00 34.40 C ATOM 1255 O ALA A 77 5.583 6.353 -7.899 1.00 3.52 O ATOM 1256 CB ALA A 77 7.725 7.331 -10.202 1.00 60.40 C ATOM 0 H ALA A 77 7.808 6.254 -7.318 1.00 5.04 H new ATOM 0 HA ALA A 77 7.512 8.786 -8.644 1.00 4.13 H new ATOM 0 HB1 ALA A 77 7.061 7.851 -10.893 1.00 60.40 H new ATOM 0 HB2 ALA A 77 8.757 7.614 -10.408 1.00 60.40 H new ATOM 0 HB3 ALA A 77 7.611 6.255 -10.331 1.00 60.40 H new ATOM 1262 N TRP A 78 4.993 8.281 -8.883 1.00 52.41 N ATOM 1263 CA TRP A 78 3.554 8.081 -8.656 1.00 2.13 C ATOM 1264 C TRP A 78 2.701 8.767 -9.733 1.00 71.32 C ATOM 1265 O TRP A 78 3.034 9.854 -10.215 1.00 24.31 O ATOM 1266 CB TRP A 78 3.154 8.577 -7.254 1.00 14.21 C ATOM 1267 CG TRP A 78 3.713 9.926 -6.889 1.00 10.45 C ATOM 1268 CD1 TRP A 78 4.912 10.169 -6.280 1.00 22.03 C ATOM 1269 CD2 TRP A 78 3.102 11.209 -7.092 1.00 64.43 C ATOM 1270 NE1 TRP A 78 5.084 11.517 -6.092 1.00 63.40 N ATOM 1271 CE2 TRP A 78 3.986 12.177 -6.579 1.00 12.52 C ATOM 1272 CE3 TRP A 78 1.891 11.634 -7.652 1.00 64.31 C ATOM 1273 CZ2 TRP A 78 3.705 13.538 -6.616 1.00 74.43 C ATOM 1274 CZ3 TRP A 78 1.613 12.989 -7.687 1.00 62.43 C ATOM 1275 CH2 TRP A 78 2.515 13.927 -7.167 1.00 14.13 C ATOM 0 H TRP A 78 5.226 9.148 -9.368 1.00 52.41 H new ATOM 0 HA TRP A 78 3.361 7.010 -8.721 1.00 2.13 H new ATOM 0 HB2 TRP A 78 2.067 8.619 -7.193 1.00 14.21 H new ATOM 0 HB3 TRP A 78 3.486 7.848 -6.515 1.00 14.21 H new ATOM 0 HD1 TRP A 78 5.622 9.409 -5.989 1.00 22.03 H new ATOM 0 HE1 TRP A 78 5.897 11.957 -5.660 1.00 63.40 H new ATOM 0 HE3 TRP A 78 1.187 10.918 -8.049 1.00 64.31 H new ATOM 0 HZ2 TRP A 78 4.402 14.263 -6.223 1.00 74.43 H new ATOM 0 HZ3 TRP A 78 0.685 13.329 -8.122 1.00 62.43 H new ATOM 0 HH2 TRP A 78 2.266 14.977 -7.202 1.00 14.13 H new ATOM 1286 N GLU A 79 1.608 8.112 -10.119 1.00 52.44 N ATOM 1287 CA GLU A 79 0.672 8.659 -11.111 1.00 31.21 C ATOM 1288 C GLU A 79 -0.661 9.031 -10.451 1.00 43.43 C ATOM 1289 O GLU A 79 -1.130 8.338 -9.552 1.00 4.34 O ATOM 1290 CB GLU A 79 0.414 7.639 -12.228 1.00 44.01 C ATOM 1291 CG GLU A 79 1.680 7.093 -12.878 1.00 55.12 C ATOM 1292 CD GLU A 79 1.385 6.141 -14.025 1.00 52.14 C ATOM 1293 OE1 GLU A 79 1.173 4.935 -13.767 1.00 13.30 O ATOM 1294 OE2 GLU A 79 1.356 6.596 -15.189 1.00 50.35 O ATOM 0 H GLU A 79 1.344 7.195 -9.759 1.00 52.44 H new ATOM 0 HA GLU A 79 1.124 9.555 -11.537 1.00 31.21 H new ATOM 0 HB2 GLU A 79 -0.160 6.807 -11.820 1.00 44.01 H new ATOM 0 HB3 GLU A 79 -0.203 8.106 -12.996 1.00 44.01 H new ATOM 0 HG2 GLU A 79 2.282 7.924 -13.246 1.00 55.12 H new ATOM 0 HG3 GLU A 79 2.276 6.576 -12.126 1.00 55.12 H new ATOM 1301 N GLU A 80 -1.276 10.114 -10.910 1.00 61.41 N ATOM 1302 CA GLU A 80 -2.548 10.585 -10.345 1.00 70.11 C ATOM 1303 C GLU A 80 -3.730 10.223 -11.269 1.00 63.51 C ATOM 1304 O GLU A 80 -3.924 10.840 -12.318 1.00 2.24 O ATOM 1305 CB GLU A 80 -2.481 12.104 -10.126 1.00 51.32 C ATOM 1306 CG GLU A 80 -3.644 12.679 -9.322 1.00 33.04 C ATOM 1307 CD GLU A 80 -3.607 14.199 -9.267 1.00 71.43 C ATOM 1308 OE1 GLU A 80 -3.846 14.837 -10.314 1.00 44.40 O ATOM 1309 OE2 GLU A 80 -3.315 14.767 -8.192 1.00 1.44 O ATOM 0 H GLU A 80 -0.919 10.688 -11.674 1.00 61.41 H new ATOM 0 HA GLU A 80 -2.711 10.091 -9.387 1.00 70.11 H new ATOM 0 HB2 GLU A 80 -1.549 12.344 -9.615 1.00 51.32 H new ATOM 0 HB3 GLU A 80 -2.448 12.597 -11.097 1.00 51.32 H new ATOM 0 HG2 GLU A 80 -4.586 12.356 -9.766 1.00 33.04 H new ATOM 0 HG3 GLU A 80 -3.616 12.279 -8.308 1.00 33.04 H new ATOM 1316 N VAL A 81 -4.510 9.214 -10.877 1.00 62.40 N ATOM 1317 CA VAL A 81 -5.618 8.703 -11.703 1.00 4.32 C ATOM 1318 C VAL A 81 -6.981 8.814 -10.987 1.00 34.41 C ATOM 1319 O VAL A 81 -7.063 9.291 -9.853 1.00 63.22 O ATOM 1320 CB VAL A 81 -5.369 7.223 -12.104 1.00 10.32 C ATOM 1321 CG1 VAL A 81 -4.091 7.095 -12.932 1.00 21.34 C ATOM 1322 CG2 VAL A 81 -5.308 6.319 -10.873 1.00 3.51 C ATOM 0 H VAL A 81 -4.398 8.728 -9.987 1.00 62.40 H new ATOM 0 HA VAL A 81 -5.652 9.326 -12.597 1.00 4.32 H new ATOM 0 HB VAL A 81 -6.210 6.897 -12.717 1.00 10.32 H new ATOM 0 HG11 VAL A 81 -3.936 6.051 -13.202 1.00 21.34 H new ATOM 0 HG12 VAL A 81 -4.183 7.694 -13.838 1.00 21.34 H new ATOM 0 HG13 VAL A 81 -3.242 7.449 -12.347 1.00 21.34 H new ATOM 0 HG21 VAL A 81 -5.133 5.290 -11.186 1.00 3.51 H new ATOM 0 HG22 VAL A 81 -4.496 6.644 -10.223 1.00 3.51 H new ATOM 0 HG23 VAL A 81 -6.252 6.378 -10.331 1.00 3.51 H new ATOM 1332 N LYS A 82 -8.052 8.371 -11.656 1.00 3.34 N ATOM 1333 CA LYS A 82 -9.410 8.424 -11.078 1.00 41.30 C ATOM 1334 C LYS A 82 -9.843 7.054 -10.529 1.00 53.11 C ATOM 1335 O LYS A 82 -9.210 6.034 -10.797 1.00 42.25 O ATOM 1336 CB LYS A 82 -10.452 8.875 -12.115 1.00 0.22 C ATOM 1337 CG LYS A 82 -10.152 10.189 -12.841 1.00 54.15 C ATOM 1338 CD LYS A 82 -9.181 10.010 -14.009 1.00 31.22 C ATOM 1339 CE LYS A 82 -9.604 8.877 -14.945 1.00 54.54 C ATOM 1340 NZ LYS A 82 -11.029 8.978 -15.367 1.00 75.03 N ATOM 0 H LYS A 82 -8.011 7.973 -12.594 1.00 3.34 H new ATOM 0 HA LYS A 82 -9.365 9.150 -10.266 1.00 41.30 H new ATOM 0 HB2 LYS A 82 -10.558 8.087 -12.861 1.00 0.22 H new ATOM 0 HB3 LYS A 82 -11.415 8.971 -11.614 1.00 0.22 H new ATOM 0 HG2 LYS A 82 -11.084 10.616 -13.211 1.00 54.15 H new ATOM 0 HG3 LYS A 82 -9.733 10.904 -12.132 1.00 54.15 H new ATOM 0 HD2 LYS A 82 -9.119 10.941 -14.573 1.00 31.22 H new ATOM 0 HD3 LYS A 82 -8.183 9.805 -13.621 1.00 31.22 H new ATOM 0 HE2 LYS A 82 -8.967 8.885 -15.829 1.00 54.54 H new ATOM 0 HE3 LYS A 82 -9.445 7.921 -14.446 1.00 54.54 H new ATOM 0 HZ1 LYS A 82 -11.242 8.225 -16.052 1.00 75.03 H new ATOM 0 HZ2 LYS A 82 -11.645 8.874 -14.536 1.00 75.03 H new ATOM 0 HZ3 LYS A 82 -11.196 9.905 -15.808 1.00 75.03 H new ATOM 1354 N LYS A 83 -10.951 7.032 -9.784 1.00 22.35 N ATOM 1355 CA LYS A 83 -11.483 5.779 -9.235 1.00 50.42 C ATOM 1356 C LYS A 83 -12.188 4.917 -10.300 1.00 45.12 C ATOM 1357 O LYS A 83 -12.352 3.710 -10.115 1.00 55.44 O ATOM 1358 CB LYS A 83 -12.417 6.056 -8.036 1.00 50.31 C ATOM 1359 CG LYS A 83 -13.560 7.046 -8.293 1.00 51.24 C ATOM 1360 CD LYS A 83 -14.736 6.419 -9.043 1.00 53.10 C ATOM 1361 CE LYS A 83 -15.955 7.336 -9.038 1.00 62.25 C ATOM 1362 NZ LYS A 83 -16.461 7.574 -7.655 1.00 45.14 N ATOM 0 H LYS A 83 -11.495 7.861 -9.547 1.00 22.35 H new ATOM 0 HA LYS A 83 -10.629 5.201 -8.882 1.00 50.42 H new ATOM 0 HB2 LYS A 83 -12.848 5.110 -7.710 1.00 50.31 H new ATOM 0 HB3 LYS A 83 -11.814 6.433 -7.210 1.00 50.31 H new ATOM 0 HG2 LYS A 83 -13.913 7.441 -7.340 1.00 51.24 H new ATOM 0 HG3 LYS A 83 -13.179 7.891 -8.867 1.00 51.24 H new ATOM 0 HD2 LYS A 83 -14.442 6.208 -10.071 1.00 53.10 H new ATOM 0 HD3 LYS A 83 -14.995 5.465 -8.583 1.00 53.10 H new ATOM 0 HE2 LYS A 83 -15.695 8.289 -9.499 1.00 62.25 H new ATOM 0 HE3 LYS A 83 -16.746 6.893 -9.644 1.00 62.25 H new ATOM 0 HZ1 LYS A 83 -17.453 7.884 -7.697 1.00 45.14 H new ATOM 0 HZ2 LYS A 83 -16.396 6.694 -7.105 1.00 45.14 H new ATOM 0 HZ3 LYS A 83 -15.887 8.311 -7.197 1.00 45.14 H new ATOM 1376 N ASP A 84 -12.594 5.523 -11.419 1.00 64.31 N ATOM 1377 CA ASP A 84 -13.268 4.771 -12.490 1.00 24.32 C ATOM 1378 C ASP A 84 -12.294 3.849 -13.253 1.00 42.11 C ATOM 1379 O ASP A 84 -12.716 2.997 -14.040 1.00 62.14 O ATOM 1380 CB ASP A 84 -13.987 5.723 -13.459 1.00 13.41 C ATOM 1381 CG ASP A 84 -13.075 6.784 -14.053 1.00 54.11 C ATOM 1382 OD1 ASP A 84 -12.398 6.504 -15.064 1.00 34.20 O ATOM 1383 OD2 ASP A 84 -13.045 7.912 -13.520 1.00 64.45 O ATOM 0 H ASP A 84 -12.472 6.518 -11.609 1.00 64.31 H new ATOM 0 HA ASP A 84 -14.012 4.133 -12.014 1.00 24.32 H new ATOM 0 HB2 ASP A 84 -14.429 5.141 -14.268 1.00 13.41 H new ATOM 0 HB3 ASP A 84 -14.807 6.212 -12.934 1.00 13.41 H new ATOM 1388 N GLU A 85 -10.993 4.009 -13.005 1.00 4.42 N ATOM 1389 CA GLU A 85 -9.973 3.163 -13.641 1.00 31.31 C ATOM 1390 C GLU A 85 -9.709 1.882 -12.834 1.00 52.44 C ATOM 1391 O GLU A 85 -8.906 1.038 -13.237 1.00 43.12 O ATOM 1392 CB GLU A 85 -8.668 3.948 -13.843 1.00 21.52 C ATOM 1393 CG GLU A 85 -8.790 5.069 -14.871 1.00 73.22 C ATOM 1394 CD GLU A 85 -7.480 5.801 -15.109 1.00 0.55 C ATOM 1395 OE1 GLU A 85 -6.627 5.275 -15.855 1.00 64.14 O ATOM 1396 OE2 GLU A 85 -7.300 6.904 -14.550 1.00 23.02 O ATOM 0 H GLU A 85 -10.618 4.714 -12.370 1.00 4.42 H new ATOM 0 HA GLU A 85 -10.359 2.865 -14.616 1.00 31.31 H new ATOM 0 HB2 GLU A 85 -8.356 4.372 -12.889 1.00 21.52 H new ATOM 0 HB3 GLU A 85 -7.883 3.260 -14.158 1.00 21.52 H new ATOM 0 HG2 GLU A 85 -9.144 4.653 -15.814 1.00 73.22 H new ATOM 0 HG3 GLU A 85 -9.543 5.782 -14.535 1.00 73.22 H new ATOM 1403 N LEU A 86 -10.386 1.741 -11.694 1.00 1.35 N ATOM 1404 CA LEU A 86 -10.287 0.526 -10.876 1.00 12.31 C ATOM 1405 C LEU A 86 -11.398 -0.472 -11.248 1.00 61.12 C ATOM 1406 O LEU A 86 -12.570 -0.098 -11.340 1.00 73.53 O ATOM 1407 CB LEU A 86 -10.371 0.863 -9.376 1.00 12.02 C ATOM 1408 CG LEU A 86 -9.154 1.599 -8.779 1.00 41.31 C ATOM 1409 CD1 LEU A 86 -9.018 3.011 -9.347 1.00 24.11 C ATOM 1410 CD2 LEU A 86 -9.242 1.636 -7.254 1.00 25.12 C ATOM 0 H LEU A 86 -11.010 2.452 -11.314 1.00 1.35 H new ATOM 0 HA LEU A 86 -9.318 0.069 -11.077 1.00 12.31 H new ATOM 0 HB2 LEU A 86 -11.258 1.475 -9.211 1.00 12.02 H new ATOM 0 HB3 LEU A 86 -10.516 -0.065 -8.823 1.00 12.02 H new ATOM 0 HG LEU A 86 -8.260 1.043 -9.061 1.00 41.31 H new ATOM 0 HD11 LEU A 86 -8.150 3.499 -8.904 1.00 24.11 H new ATOM 0 HD12 LEU A 86 -8.892 2.958 -10.428 1.00 24.11 H new ATOM 0 HD13 LEU A 86 -9.915 3.585 -9.115 1.00 24.11 H new ATOM 0 HD21 LEU A 86 -8.374 2.159 -6.852 1.00 25.12 H new ATOM 0 HD22 LEU A 86 -10.151 2.157 -6.955 1.00 25.12 H new ATOM 0 HD23 LEU A 86 -9.263 0.618 -6.866 1.00 25.12 H new ATOM 1422 N PRO A 87 -11.047 -1.755 -11.474 1.00 52.11 N ATOM 1423 CA PRO A 87 -12.034 -2.804 -11.805 1.00 42.31 C ATOM 1424 C PRO A 87 -13.160 -2.915 -10.760 1.00 4.12 C ATOM 1425 O PRO A 87 -12.930 -2.735 -9.563 1.00 31.43 O ATOM 1426 CB PRO A 87 -11.191 -4.089 -11.831 1.00 64.45 C ATOM 1427 CG PRO A 87 -9.801 -3.624 -12.115 1.00 41.10 C ATOM 1428 CD PRO A 87 -9.670 -2.287 -11.436 1.00 54.02 C ATOM 0 HA PRO A 87 -12.548 -2.594 -12.743 1.00 42.31 H new ATOM 0 HB2 PRO A 87 -11.245 -4.618 -10.879 1.00 64.45 H new ATOM 0 HB3 PRO A 87 -11.543 -4.778 -12.599 1.00 64.45 H new ATOM 0 HG2 PRO A 87 -9.066 -4.331 -11.731 1.00 41.10 H new ATOM 0 HG3 PRO A 87 -9.629 -3.536 -13.188 1.00 41.10 H new ATOM 0 HD2 PRO A 87 -9.305 -2.388 -10.414 1.00 54.02 H new ATOM 0 HD3 PRO A 87 -8.972 -1.635 -11.961 1.00 54.02 H new ATOM 1436 N ALA A 88 -14.370 -3.230 -11.219 1.00 23.55 N ATOM 1437 CA ALA A 88 -15.543 -3.294 -10.339 1.00 21.43 C ATOM 1438 C ALA A 88 -15.332 -4.260 -9.161 1.00 71.54 C ATOM 1439 O ALA A 88 -15.734 -3.972 -8.034 1.00 73.20 O ATOM 1440 CB ALA A 88 -16.776 -3.696 -11.140 1.00 25.30 C ATOM 0 H ALA A 88 -14.567 -3.446 -12.196 1.00 23.55 H new ATOM 0 HA ALA A 88 -15.692 -2.300 -9.918 1.00 21.43 H new ATOM 0 HB1 ALA A 88 -17.641 -3.741 -10.478 1.00 25.30 H new ATOM 0 HB2 ALA A 88 -16.956 -2.960 -11.924 1.00 25.30 H new ATOM 0 HB3 ALA A 88 -16.613 -4.675 -11.591 1.00 25.30 H new ATOM 1446 N LYS A 89 -14.676 -5.394 -9.423 1.00 30.31 N ATOM 1447 CA LYS A 89 -14.434 -6.408 -8.387 1.00 43.42 C ATOM 1448 C LYS A 89 -13.665 -5.842 -7.175 1.00 30.45 C ATOM 1449 O LYS A 89 -13.730 -6.405 -6.078 1.00 72.12 O ATOM 1450 CB LYS A 89 -13.689 -7.620 -8.965 1.00 64.34 C ATOM 1451 CG LYS A 89 -14.496 -8.402 -10.001 1.00 25.41 C ATOM 1452 CD LYS A 89 -13.865 -9.762 -10.313 1.00 33.32 C ATOM 1453 CE LYS A 89 -13.811 -10.656 -9.075 1.00 22.21 C ATOM 1454 NZ LYS A 89 -13.319 -12.024 -9.386 1.00 53.44 N ATOM 0 H LYS A 89 -14.303 -5.635 -10.341 1.00 30.31 H new ATOM 0 HA LYS A 89 -15.414 -6.728 -8.033 1.00 43.42 H new ATOM 0 HB2 LYS A 89 -12.760 -7.280 -9.423 1.00 64.34 H new ATOM 0 HB3 LYS A 89 -13.416 -8.290 -8.150 1.00 64.34 H new ATOM 0 HG2 LYS A 89 -15.512 -8.549 -9.633 1.00 25.41 H new ATOM 0 HG3 LYS A 89 -14.571 -7.818 -10.918 1.00 25.41 H new ATOM 0 HD2 LYS A 89 -14.438 -10.258 -11.096 1.00 33.32 H new ATOM 0 HD3 LYS A 89 -12.857 -9.615 -10.701 1.00 33.32 H new ATOM 0 HE2 LYS A 89 -13.161 -10.200 -8.329 1.00 22.21 H new ATOM 0 HE3 LYS A 89 -14.806 -10.722 -8.634 1.00 22.21 H new ATOM 0 HZ1 LYS A 89 -13.300 -12.592 -8.515 1.00 53.44 H new ATOM 0 HZ2 LYS A 89 -13.953 -12.472 -10.078 1.00 53.44 H new ATOM 0 HZ3 LYS A 89 -12.359 -11.966 -9.782 1.00 53.44 H new ATOM 1468 N VAL A 90 -12.948 -4.732 -7.373 1.00 61.24 N ATOM 1469 CA VAL A 90 -12.245 -4.058 -6.276 1.00 70.42 C ATOM 1470 C VAL A 90 -13.245 -3.538 -5.229 1.00 62.24 C ATOM 1471 O VAL A 90 -13.123 -3.825 -4.037 1.00 54.35 O ATOM 1472 CB VAL A 90 -11.377 -2.881 -6.797 1.00 60.14 C ATOM 1473 CG1 VAL A 90 -10.671 -2.167 -5.645 1.00 74.14 C ATOM 1474 CG2 VAL A 90 -10.363 -3.372 -7.830 1.00 31.15 C ATOM 0 H VAL A 90 -12.839 -4.281 -8.281 1.00 61.24 H new ATOM 0 HA VAL A 90 -11.587 -4.793 -5.811 1.00 70.42 H new ATOM 0 HB VAL A 90 -12.040 -2.164 -7.281 1.00 60.14 H new ATOM 0 HG11 VAL A 90 -10.070 -1.347 -6.039 1.00 74.14 H new ATOM 0 HG12 VAL A 90 -11.414 -1.772 -4.952 1.00 74.14 H new ATOM 0 HG13 VAL A 90 -10.025 -2.872 -5.122 1.00 74.14 H new ATOM 0 HG21 VAL A 90 -9.766 -2.531 -8.182 1.00 31.15 H new ATOM 0 HG22 VAL A 90 -9.710 -4.116 -7.374 1.00 31.15 H new ATOM 0 HG23 VAL A 90 -10.890 -3.820 -8.672 1.00 31.15 H new ATOM 1484 N LYS A 91 -14.246 -2.791 -5.687 1.00 21.43 N ATOM 1485 CA LYS A 91 -15.313 -2.305 -4.804 1.00 64.11 C ATOM 1486 C LYS A 91 -16.200 -3.471 -4.336 1.00 62.03 C ATOM 1487 O LYS A 91 -16.691 -3.486 -3.208 1.00 2.21 O ATOM 1488 CB LYS A 91 -16.166 -1.245 -5.521 1.00 54.14 C ATOM 1489 CG LYS A 91 -17.313 -0.700 -4.672 1.00 1.44 C ATOM 1490 CD LYS A 91 -18.136 0.346 -5.420 1.00 31.52 C ATOM 1491 CE LYS A 91 -19.290 0.868 -4.570 1.00 3.52 C ATOM 1492 NZ LYS A 91 -20.090 1.893 -5.289 1.00 15.30 N ATOM 0 H LYS A 91 -14.344 -2.507 -6.662 1.00 21.43 H new ATOM 0 HA LYS A 91 -14.850 -1.847 -3.930 1.00 64.11 H new ATOM 0 HB2 LYS A 91 -15.523 -0.417 -5.821 1.00 54.14 H new ATOM 0 HB3 LYS A 91 -16.576 -1.678 -6.434 1.00 54.14 H new ATOM 0 HG2 LYS A 91 -17.962 -1.522 -4.369 1.00 1.44 H new ATOM 0 HG3 LYS A 91 -16.910 -0.259 -3.760 1.00 1.44 H new ATOM 0 HD2 LYS A 91 -17.492 1.177 -5.710 1.00 31.52 H new ATOM 0 HD3 LYS A 91 -18.528 -0.089 -6.339 1.00 31.52 H new ATOM 0 HE2 LYS A 91 -19.936 0.037 -4.286 1.00 3.52 H new ATOM 0 HE3 LYS A 91 -18.897 1.296 -3.648 1.00 3.52 H new ATOM 0 HZ1 LYS A 91 -20.864 2.222 -4.677 1.00 15.30 H new ATOM 0 HZ2 LYS A 91 -19.480 2.698 -5.538 1.00 15.30 H new ATOM 0 HZ3 LYS A 91 -20.487 1.478 -6.156 1.00 15.30 H new ATOM 1506 N GLU A 92 -16.375 -4.461 -5.209 1.00 0.32 N ATOM 1507 CA GLU A 92 -17.178 -5.650 -4.893 1.00 71.31 C ATOM 1508 C GLU A 92 -16.581 -6.475 -3.740 1.00 42.43 C ATOM 1509 O GLU A 92 -17.246 -7.361 -3.199 1.00 10.51 O ATOM 1510 CB GLU A 92 -17.333 -6.531 -6.140 1.00 23.30 C ATOM 1511 CG GLU A 92 -18.149 -5.885 -7.253 1.00 40.55 C ATOM 1512 CD GLU A 92 -19.583 -5.595 -6.837 1.00 10.11 C ATOM 1513 OE1 GLU A 92 -20.381 -6.551 -6.740 1.00 70.45 O ATOM 1514 OE2 GLU A 92 -19.922 -4.417 -6.597 1.00 62.23 O ATOM 0 H GLU A 92 -15.971 -4.467 -6.146 1.00 0.32 H new ATOM 0 HA GLU A 92 -18.156 -5.297 -4.567 1.00 71.31 H new ATOM 0 HB2 GLU A 92 -16.343 -6.778 -6.524 1.00 23.30 H new ATOM 0 HB3 GLU A 92 -17.807 -7.470 -5.853 1.00 23.30 H new ATOM 0 HG2 GLU A 92 -17.668 -4.955 -7.558 1.00 40.55 H new ATOM 0 HG3 GLU A 92 -18.153 -6.542 -8.123 1.00 40.55 H new ATOM 1521 N LYS A 93 -15.315 -6.224 -3.396 1.00 5.54 N ATOM 1522 CA LYS A 93 -14.713 -6.834 -2.201 1.00 12.13 C ATOM 1523 C LYS A 93 -14.418 -5.785 -1.110 1.00 15.34 C ATOM 1524 O LYS A 93 -14.091 -6.138 0.023 1.00 24.40 O ATOM 1525 CB LYS A 93 -13.434 -7.615 -2.555 1.00 11.21 C ATOM 1526 CG LYS A 93 -12.263 -6.758 -3.031 1.00 61.51 C ATOM 1527 CD LYS A 93 -11.020 -7.616 -3.285 1.00 31.11 C ATOM 1528 CE LYS A 93 -9.798 -6.776 -3.649 1.00 21.12 C ATOM 1529 NZ LYS A 93 -8.580 -7.619 -3.813 1.00 44.41 N ATOM 0 H LYS A 93 -14.691 -5.610 -3.919 1.00 5.54 H new ATOM 0 HA LYS A 93 -15.445 -7.536 -1.801 1.00 12.13 H new ATOM 0 HB2 LYS A 93 -13.118 -8.180 -1.678 1.00 11.21 H new ATOM 0 HB3 LYS A 93 -13.673 -8.340 -3.333 1.00 11.21 H new ATOM 0 HG2 LYS A 93 -12.540 -6.234 -3.946 1.00 61.51 H new ATOM 0 HG3 LYS A 93 -12.037 -5.997 -2.284 1.00 61.51 H new ATOM 0 HD2 LYS A 93 -10.800 -8.205 -2.395 1.00 31.11 H new ATOM 0 HD3 LYS A 93 -11.226 -8.321 -4.091 1.00 31.11 H new ATOM 0 HE2 LYS A 93 -9.992 -6.233 -4.574 1.00 21.12 H new ATOM 0 HE3 LYS A 93 -9.624 -6.031 -2.872 1.00 21.12 H new ATOM 0 HZ1 LYS A 93 -7.771 -7.153 -3.355 1.00 44.41 H new ATOM 0 HZ2 LYS A 93 -8.739 -8.548 -3.374 1.00 44.41 H new ATOM 0 HZ3 LYS A 93 -8.379 -7.745 -4.826 1.00 44.41 H new ATOM 1543 N LEU A 94 -14.539 -4.497 -1.450 1.00 11.34 N ATOM 1544 CA LEU A 94 -14.251 -3.408 -0.499 1.00 4.13 C ATOM 1545 C LEU A 94 -15.298 -2.281 -0.590 1.00 61.23 C ATOM 1546 O LEU A 94 -15.281 -1.471 -1.521 1.00 1.50 O ATOM 1547 CB LEU A 94 -12.843 -2.840 -0.753 1.00 63.11 C ATOM 1548 CG LEU A 94 -12.394 -1.725 0.208 1.00 34.12 C ATOM 1549 CD1 LEU A 94 -12.345 -2.234 1.649 1.00 43.44 C ATOM 1550 CD2 LEU A 94 -11.038 -1.162 -0.217 1.00 32.05 C ATOM 0 H LEU A 94 -14.833 -4.180 -2.374 1.00 11.34 H new ATOM 0 HA LEU A 94 -14.297 -3.826 0.506 1.00 4.13 H new ATOM 0 HB2 LEU A 94 -12.125 -3.658 -0.694 1.00 63.11 H new ATOM 0 HB3 LEU A 94 -12.804 -2.455 -1.772 1.00 63.11 H new ATOM 0 HG LEU A 94 -13.127 -0.920 0.161 1.00 34.12 H new ATOM 0 HD11 LEU A 94 -12.025 -1.428 2.309 1.00 43.44 H new ATOM 0 HD12 LEU A 94 -13.336 -2.576 1.948 1.00 43.44 H new ATOM 0 HD13 LEU A 94 -11.639 -3.062 1.719 1.00 43.44 H new ATOM 0 HD21 LEU A 94 -10.738 -0.375 0.475 1.00 32.05 H new ATOM 0 HD22 LEU A 94 -10.294 -1.958 -0.206 1.00 32.05 H new ATOM 0 HD23 LEU A 94 -11.114 -0.751 -1.224 1.00 32.05 H new ATOM 1562 N GLY A 95 -16.191 -2.221 0.398 1.00 13.43 N ATOM 1563 CA GLY A 95 -17.275 -1.240 0.385 1.00 62.42 C ATOM 1564 C GLY A 95 -18.491 -1.723 -0.399 1.00 15.51 C ATOM 1565 O GLY A 95 -19.083 -0.970 -1.177 1.00 71.12 O ATOM 0 H GLY A 95 -16.185 -2.836 1.212 1.00 13.43 H new ATOM 0 HA2 GLY A 95 -17.572 -1.018 1.410 1.00 62.42 H new ATOM 0 HA3 GLY A 95 -16.913 -0.309 -0.050 1.00 62.42 H new ATOM 1569 N VAL A 96 -18.875 -2.979 -0.179 1.00 10.03 N ATOM 1570 CA VAL A 96 -19.967 -3.604 -0.936 1.00 40.44 C ATOM 1571 C VAL A 96 -21.345 -3.120 -0.464 1.00 30.53 C ATOM 1572 O VAL A 96 -21.649 -3.134 0.728 1.00 31.04 O ATOM 1573 CB VAL A 96 -19.928 -5.145 -0.814 1.00 2.32 C ATOM 1574 CG1 VAL A 96 -20.853 -5.804 -1.840 1.00 3.12 C ATOM 1575 CG2 VAL A 96 -18.498 -5.663 -0.946 1.00 0.11 C ATOM 0 H VAL A 96 -18.447 -3.588 0.518 1.00 10.03 H new ATOM 0 HA VAL A 96 -19.819 -3.310 -1.975 1.00 40.44 H new ATOM 0 HB VAL A 96 -20.292 -5.414 0.177 1.00 2.32 H new ATOM 0 HG11 VAL A 96 -20.805 -6.887 -1.730 1.00 3.12 H new ATOM 0 HG12 VAL A 96 -21.877 -5.468 -1.676 1.00 3.12 H new ATOM 0 HG13 VAL A 96 -20.537 -5.527 -2.846 1.00 3.12 H new ATOM 0 HG21 VAL A 96 -18.495 -6.749 -0.857 1.00 0.11 H new ATOM 0 HG22 VAL A 96 -18.096 -5.377 -1.918 1.00 0.11 H new ATOM 0 HG23 VAL A 96 -17.881 -5.233 -0.157 1.00 0.11 H new ATOM 1585 N LYS A 97 -22.178 -2.717 -1.416 1.00 44.03 N ATOM 1586 CA LYS A 97 -23.541 -2.253 -1.129 1.00 43.41 C ATOM 1587 C LYS A 97 -24.489 -2.565 -2.294 1.00 55.02 C ATOM 1588 O LYS A 97 -24.394 -1.957 -3.364 1.00 51.33 O ATOM 1589 CB LYS A 97 -23.561 -0.739 -0.828 1.00 20.21 C ATOM 1590 CG LYS A 97 -23.056 -0.348 0.570 1.00 0.52 C ATOM 1591 CD LYS A 97 -24.129 -0.505 1.659 1.00 11.24 C ATOM 1592 CE LYS A 97 -24.574 -1.954 1.856 1.00 33.11 C ATOM 1593 NZ LYS A 97 -25.647 -2.078 2.874 1.00 63.34 N ATOM 0 H LYS A 97 -21.935 -2.700 -2.406 1.00 44.03 H new ATOM 0 HA LYS A 97 -23.887 -2.789 -0.245 1.00 43.41 H new ATOM 0 HB2 LYS A 97 -22.953 -0.227 -1.574 1.00 20.21 H new ATOM 0 HB3 LYS A 97 -24.581 -0.374 -0.944 1.00 20.21 H new ATOM 0 HG2 LYS A 97 -22.194 -0.964 0.825 1.00 0.52 H new ATOM 0 HG3 LYS A 97 -22.714 0.687 0.551 1.00 0.52 H new ATOM 0 HD2 LYS A 97 -23.741 -0.119 2.602 1.00 11.24 H new ATOM 0 HD3 LYS A 97 -24.995 0.103 1.398 1.00 11.24 H new ATOM 0 HE2 LYS A 97 -24.928 -2.356 0.907 1.00 33.11 H new ATOM 0 HE3 LYS A 97 -23.718 -2.557 2.158 1.00 33.11 H new ATOM 0 HZ1 LYS A 97 -26.103 -3.009 2.786 1.00 63.34 H new ATOM 0 HZ2 LYS A 97 -25.236 -1.982 3.825 1.00 63.34 H new ATOM 0 HZ3 LYS A 97 -26.355 -1.331 2.725 1.00 63.34 H new ATOM 1607 N LEU A 98 -25.408 -3.507 -2.076 1.00 12.42 N ATOM 1608 CA LEU A 98 -26.365 -3.907 -3.108 1.00 2.40 C ATOM 1609 C LEU A 98 -27.480 -4.784 -2.508 1.00 63.33 C ATOM 1610 O LEU A 98 -27.396 -6.014 -2.508 1.00 41.52 O ATOM 1611 CB LEU A 98 -25.646 -4.647 -4.256 1.00 54.21 C ATOM 1612 CG LEU A 98 -26.348 -4.620 -5.631 1.00 14.30 C ATOM 1613 CD1 LEU A 98 -25.477 -5.294 -6.685 1.00 75.21 C ATOM 1614 CD2 LEU A 98 -27.724 -5.281 -5.571 1.00 13.42 C ATOM 0 H LEU A 98 -25.510 -4.007 -1.193 1.00 12.42 H new ATOM 0 HA LEU A 98 -26.825 -3.007 -3.516 1.00 2.40 H new ATOM 0 HB2 LEU A 98 -24.651 -4.216 -4.371 1.00 54.21 H new ATOM 0 HB3 LEU A 98 -25.511 -5.688 -3.961 1.00 54.21 H new ATOM 0 HG LEU A 98 -26.495 -3.576 -5.910 1.00 14.30 H new ATOM 0 HD11 LEU A 98 -25.986 -5.267 -7.649 1.00 75.21 H new ATOM 0 HD12 LEU A 98 -24.526 -4.767 -6.762 1.00 75.21 H new ATOM 0 HD13 LEU A 98 -25.296 -6.330 -6.399 1.00 75.21 H new ATOM 0 HD21 LEU A 98 -28.189 -5.244 -6.556 1.00 13.42 H new ATOM 0 HD22 LEU A 98 -27.615 -6.320 -5.260 1.00 13.42 H new ATOM 0 HD23 LEU A 98 -28.351 -4.751 -4.854 1.00 13.42 H new ATOM 1626 N GLU A 99 -28.501 -4.132 -1.963 1.00 63.11 N ATOM 1627 CA GLU A 99 -29.708 -4.814 -1.475 1.00 1.31 C ATOM 1628 C GLU A 99 -30.957 -4.106 -2.015 1.00 32.43 C ATOM 1629 O GLU A 99 -31.885 -4.742 -2.521 1.00 71.24 O ATOM 1630 CB GLU A 99 -29.763 -4.836 0.066 1.00 34.41 C ATOM 1631 CG GLU A 99 -28.476 -5.295 0.757 1.00 73.45 C ATOM 1632 CD GLU A 99 -27.597 -4.135 1.209 1.00 45.00 C ATOM 1633 OE1 GLU A 99 -26.816 -3.611 0.388 1.00 63.43 O ATOM 1634 OE2 GLU A 99 -27.694 -3.733 2.391 1.00 32.33 O ATOM 0 H GLU A 99 -28.522 -3.119 -1.844 1.00 63.11 H new ATOM 0 HA GLU A 99 -29.676 -5.844 -1.831 1.00 1.31 H new ATOM 0 HB2 GLU A 99 -30.009 -3.835 0.419 1.00 34.41 H new ATOM 0 HB3 GLU A 99 -30.577 -5.492 0.375 1.00 34.41 H new ATOM 0 HG2 GLU A 99 -28.733 -5.907 1.621 1.00 73.45 H new ATOM 0 HG3 GLU A 99 -27.910 -5.928 0.074 1.00 73.45 H new ATOM 1641 N HIS A 100 -30.958 -2.772 -1.902 1.00 23.35 N ATOM 1642 CA HIS A 100 -32.056 -1.931 -2.401 1.00 23.25 C ATOM 1643 C HIS A 100 -33.393 -2.250 -1.697 1.00 20.51 C ATOM 1644 O HIS A 100 -33.414 -2.840 -0.613 1.00 64.44 O ATOM 1645 CB HIS A 100 -32.188 -2.091 -3.926 1.00 54.31 C ATOM 1646 CG HIS A 100 -30.929 -1.764 -4.678 1.00 33.02 C ATOM 1647 ND1 HIS A 100 -30.305 -0.537 -4.609 1.00 51.45 N ATOM 1648 CD2 HIS A 100 -30.172 -2.516 -5.515 1.00 4.21 C ATOM 1649 CE1 HIS A 100 -29.226 -0.545 -5.368 1.00 55.34 C ATOM 1650 NE2 HIS A 100 -29.121 -1.732 -5.929 1.00 2.25 N ATOM 0 H HIS A 100 -30.202 -2.246 -1.464 1.00 23.35 H new ATOM 0 HA HIS A 100 -31.815 -0.893 -2.171 1.00 23.25 H new ATOM 0 HB2 HIS A 100 -32.479 -3.117 -4.151 1.00 54.31 H new ATOM 0 HB3 HIS A 100 -32.991 -1.446 -4.282 1.00 54.31 H new ATOM 0 HD2 HIS A 100 -30.360 -3.540 -5.803 1.00 4.21 H new ATOM 0 HE1 HIS A 100 -28.545 0.281 -5.506 1.00 55.34 H new ATOM 0 HE2 HIS A 100 -28.380 -2.023 -6.567 1.00 2.25 H new ATOM 1659 N HIS A 101 -34.507 -1.836 -2.305 1.00 51.33 N ATOM 1660 CA HIS A 101 -35.838 -2.095 -1.737 1.00 51.22 C ATOM 1661 C HIS A 101 -36.190 -3.591 -1.795 1.00 32.24 C ATOM 1662 O HIS A 101 -37.094 -4.054 -1.096 1.00 73.33 O ATOM 1663 CB HIS A 101 -36.903 -1.279 -2.480 1.00 52.25 C ATOM 1664 CG HIS A 101 -36.709 0.206 -2.395 1.00 21.51 C ATOM 1665 ND1 HIS A 101 -35.603 0.802 -1.824 1.00 12.42 N ATOM 1666 CD2 HIS A 101 -37.494 1.221 -2.824 1.00 21.34 C ATOM 1667 CE1 HIS A 101 -35.720 2.112 -1.908 1.00 52.42 C ATOM 1668 NE2 HIS A 101 -36.855 2.392 -2.510 1.00 3.01 N ATOM 0 H HIS A 101 -34.518 -1.322 -3.186 1.00 51.33 H new ATOM 0 HA HIS A 101 -35.817 -1.790 -0.691 1.00 51.22 H new ATOM 0 HB2 HIS A 101 -36.905 -1.575 -3.529 1.00 52.25 H new ATOM 0 HB3 HIS A 101 -37.884 -1.530 -2.076 1.00 52.25 H new ATOM 0 HD2 HIS A 101 -38.448 1.126 -3.322 1.00 21.34 H new ATOM 0 HE1 HIS A 101 -35.004 2.834 -1.544 1.00 52.42 H new ATOM 0 HE2 HIS A 101 -37.204 3.329 -2.711 1.00 3.01 H new ATOM 1677 N HIS A 102 -35.498 -4.323 -2.673 1.00 1.32 N ATOM 1678 CA HIS A 102 -35.624 -5.787 -2.790 1.00 64.44 C ATOM 1679 C HIS A 102 -36.983 -6.226 -3.384 1.00 62.35 C ATOM 1680 O HIS A 102 -37.186 -7.403 -3.687 1.00 73.13 O ATOM 1681 CB HIS A 102 -35.389 -6.456 -1.423 1.00 74.25 C ATOM 1682 CG HIS A 102 -35.245 -7.948 -1.493 1.00 24.43 C ATOM 1683 ND1 HIS A 102 -36.098 -8.820 -0.852 1.00 32.12 N ATOM 1684 CD2 HIS A 102 -34.337 -8.721 -2.134 1.00 72.00 C ATOM 1685 CE1 HIS A 102 -35.722 -10.059 -1.093 1.00 52.23 C ATOM 1686 NE2 HIS A 102 -34.661 -10.025 -1.868 1.00 34.03 N ATOM 0 H HIS A 102 -34.829 -3.918 -3.329 1.00 1.32 H new ATOM 0 HA HIS A 102 -34.856 -6.117 -3.489 1.00 64.44 H new ATOM 0 HB2 HIS A 102 -34.490 -6.035 -0.973 1.00 74.25 H new ATOM 0 HB3 HIS A 102 -36.221 -6.212 -0.762 1.00 74.25 H new ATOM 0 HD2 HIS A 102 -33.513 -8.375 -2.740 1.00 72.00 H new ATOM 0 HE1 HIS A 102 -36.203 -10.950 -0.718 1.00 52.23 H new ATOM 0 HE2 HIS A 102 -34.158 -10.841 -2.216 1.00 34.03 H new ATOM 1695 N HIS A 103 -37.906 -5.283 -3.553 1.00 34.33 N ATOM 1696 CA HIS A 103 -39.219 -5.571 -4.142 1.00 71.25 C ATOM 1697 C HIS A 103 -39.246 -5.194 -5.627 1.00 1.10 C ATOM 1698 O HIS A 103 -38.840 -4.095 -6.004 1.00 62.24 O ATOM 1699 CB HIS A 103 -40.320 -4.819 -3.384 1.00 72.02 C ATOM 1700 CG HIS A 103 -40.546 -5.331 -1.993 1.00 33.14 C ATOM 1701 ND1 HIS A 103 -39.783 -4.943 -0.910 1.00 43.13 N ATOM 1702 CD2 HIS A 103 -41.452 -6.214 -1.509 1.00 51.14 C ATOM 1703 CE1 HIS A 103 -40.208 -5.565 0.171 1.00 3.52 C ATOM 1704 NE2 HIS A 103 -41.219 -6.338 -0.165 1.00 64.02 N ATOM 0 H HIS A 103 -37.772 -4.307 -3.290 1.00 34.33 H new ATOM 0 HA HIS A 103 -39.402 -6.642 -4.058 1.00 71.25 H new ATOM 0 HB2 HIS A 103 -40.059 -3.762 -3.335 1.00 72.02 H new ATOM 0 HB3 HIS A 103 -41.251 -4.892 -3.945 1.00 72.02 H new ATOM 0 HD1 HIS A 103 -39.010 -4.278 -0.942 1.00 43.13 H new ATOM 0 HD2 HIS A 103 -42.216 -6.725 -2.077 1.00 51.14 H new ATOM 0 HE1 HIS A 103 -39.797 -5.459 1.164 1.00 3.52 H new ATOM 1713 N HIS A 104 -39.730 -6.110 -6.463 1.00 53.12 N ATOM 1714 CA HIS A 104 -39.729 -5.905 -7.917 1.00 61.35 C ATOM 1715 C HIS A 104 -40.572 -6.962 -8.636 1.00 74.50 C ATOM 1716 O HIS A 104 -40.781 -8.058 -8.118 1.00 14.24 O ATOM 1717 CB HIS A 104 -38.292 -5.960 -8.456 1.00 23.43 C ATOM 1718 CG HIS A 104 -37.625 -7.290 -8.252 1.00 31.15 C ATOM 1719 ND1 HIS A 104 -37.764 -8.349 -9.127 1.00 10.22 N ATOM 1720 CD2 HIS A 104 -36.818 -7.736 -7.258 1.00 23.22 C ATOM 1721 CE1 HIS A 104 -37.076 -9.381 -8.682 1.00 51.20 C ATOM 1722 NE2 HIS A 104 -36.492 -9.036 -7.553 1.00 51.34 N ATOM 0 H HIS A 104 -40.128 -7.000 -6.164 1.00 53.12 H new ATOM 0 HA HIS A 104 -40.165 -4.924 -8.109 1.00 61.35 H new ATOM 0 HB2 HIS A 104 -38.303 -5.728 -9.521 1.00 23.43 H new ATOM 0 HB3 HIS A 104 -37.699 -5.187 -7.967 1.00 23.43 H new ATOM 0 HD1 HIS A 104 -38.314 -8.335 -9.986 1.00 10.22 H new ATOM 0 HD2 HIS A 104 -36.493 -7.173 -6.395 1.00 23.22 H new ATOM 0 HE1 HIS A 104 -37.003 -10.346 -9.162 1.00 51.20 H new ATOM 1731 N HIS A 105 -41.048 -6.628 -9.833 1.00 4.30 N ATOM 1732 CA HIS A 105 -41.702 -7.615 -10.708 1.00 0.34 C ATOM 1733 C HIS A 105 -40.744 -8.070 -11.833 1.00 73.21 C ATOM 1734 O HIS A 105 -41.081 -7.908 -13.027 1.00 38.03 O ATOM 1735 CB HIS A 105 -42.991 -7.026 -11.300 1.00 33.12 C ATOM 1736 CG HIS A 105 -44.031 -6.694 -10.277 1.00 22.04 C ATOM 1737 ND1 HIS A 105 -44.258 -5.414 -9.821 1.00 14.05 N ATOM 1738 CD2 HIS A 105 -44.921 -7.482 -9.627 1.00 15.31 C ATOM 1739 CE1 HIS A 105 -45.235 -5.427 -8.941 1.00 10.44 C ATOM 1740 NE2 HIS A 105 -45.656 -6.667 -8.805 1.00 41.42 N ATOM 1741 OXT HIS A 105 -39.638 -8.565 -11.512 1.00 38.03 O ATOM 0 H HIS A 105 -40.997 -5.687 -10.224 1.00 4.30 H new ATOM 0 HA HIS A 105 -41.961 -8.489 -10.111 1.00 0.34 H new ATOM 0 HB2 HIS A 105 -42.743 -6.123 -11.858 1.00 33.12 H new ATOM 0 HB3 HIS A 105 -43.410 -7.737 -12.012 1.00 33.12 H new ATOM 0 HD2 HIS A 105 -45.031 -8.551 -9.736 1.00 15.31 H new ATOM 0 HE1 HIS A 105 -45.626 -4.566 -8.418 1.00 10.44 H new ATOM 0 HE2 HIS A 105 -46.408 -6.972 -8.187 1.00 41.42 H new TER 1750 HIS A 105