USER MOD reduce.3.24.130724 H: found=0, std=0, add=1367, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1367 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 119 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.851 K(o=1.9,f=-7.3!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.97 K(o=2.7,f=-5.7!) USER MOD Set 2.2: A 113 LYS NZ :NH3+ 177:sc= 1.77 (180deg=1.06) USER MOD Set 3.1: A 34 SER OG : rot -150:sc= 0.537 USER MOD Set 3.2: A 85 THR OG1 : rot 35:sc= 1.97 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.222 (180deg=-0.93) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.16 (180deg=1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN :FLIP amide:sc= -1.55 F(o=-2.3!,f=-1.6) USER MOD Single : A 9 SER OG : rot -118:sc= 0.0691 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.15) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= 0.674 (180deg=-0.249) USER MOD Single : A 25 GLN : amide:sc= -0.0308 K(o=-0.031,f=-0.76) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.876 USER MOD Single : A 36 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.033) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 0.901 (180deg=-0.802!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 1.02 K(o=1,f=-0.022) USER MOD Single : A 57 THR OG1 : rot 31:sc= 0.236 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0.333 (180deg=0.2) USER MOD Single : A 67 ASN : amide:sc= 0.479 K(o=0.48,f=-2.8!) USER MOD Single : A 75 TYR OH : rot -94:sc= 0.0489 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0102 F(o=-0.86,f=-0.01) USER MOD Single : A 86 THR OG1 : rot 115:sc= 0.528 USER MOD Single : A 89 LYS NZ :NH3+ -112:sc= 0.686 (180deg=-1.58) USER MOD Single : A 93 LYS NZ :NH3+ -142:sc= 0.947 (180deg=0.493) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= -0.486! (180deg=-0.698) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0141 USER MOD Single : A 112 ASN : amide:sc= 0.379 K(o=0.38,f=-0.39) USER MOD Single : A 123 GLN :FLIP amide:sc= -1.02 F(o=-2.2!,f=-1) USER MOD Single : A 127 SER OG : rot 67:sc= 0.187 USER MOD Single : A 134 THR OG1 : rot 36:sc= 0.705 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -0.457 K(o=-0.46,f=-3.4!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0.639 (180deg=0.639) USER MOD Single : A 154 SER OG : rot -41:sc= 0.964 USER MOD Single : A 157 HIS :FLIP no HE2:sc= -0.0187 F(o=-0.78,f=-0.019) USER MOD Single : A 158 HIS : no HD1:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 159 HIS : no HD1:sc= -0.0785 X(o=-0.079,f=-0.069) USER MOD Single : A 160 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.082) USER MOD Single : A 161 HIS : no HD1:sc= -0.962 K(o=-0.96,f=-1.8!) USER MOD Single : A 162 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.260 -3.033 19.150 1.00 24.03 N ATOM 2 CA MET A 1 -0.986 -4.017 18.067 1.00 14.41 C ATOM 3 C MET A 1 -2.185 -4.158 17.122 1.00 32.13 C ATOM 4 O MET A 1 -3.198 -3.484 17.291 1.00 31.32 O ATOM 5 CB MET A 1 -0.598 -5.380 18.656 1.00 23.43 C ATOM 6 CG MET A 1 -1.643 -5.989 19.581 1.00 53.43 C ATOM 7 SD MET A 1 -1.142 -7.604 20.206 1.00 43.22 S ATOM 8 CE MET A 1 0.402 -7.191 21.017 1.00 32.54 C ATOM 0 H1 MET A 1 -0.443 -2.986 19.791 1.00 24.03 H new ATOM 0 H2 MET A 1 -1.427 -2.095 18.733 1.00 24.03 H new ATOM 0 H3 MET A 1 -2.102 -3.330 19.684 1.00 24.03 H new ATOM 0 HA MET A 1 -0.145 -3.641 17.484 1.00 14.41 H new ATOM 0 HB2 MET A 1 -0.407 -6.074 17.838 1.00 23.43 H new ATOM 0 HB3 MET A 1 0.337 -5.271 19.206 1.00 23.43 H new ATOM 0 HG2 MET A 1 -1.820 -5.316 20.420 1.00 53.43 H new ATOM 0 HG3 MET A 1 -2.587 -6.086 19.045 1.00 53.43 H new ATOM 0 HE1 MET A 1 0.645 -7.960 21.750 1.00 32.54 H new ATOM 0 HE2 MET A 1 1.198 -7.132 20.275 1.00 32.54 H new ATOM 0 HE3 MET A 1 0.303 -6.229 21.520 1.00 32.54 H new ATOM 20 N SER A 2 -2.064 -5.060 16.143 1.00 32.35 N ATOM 21 CA SER A 2 -3.027 -5.153 15.034 1.00 10.35 C ATOM 22 C SER A 2 -3.007 -3.866 14.202 1.00 14.52 C ATOM 23 O SER A 2 -4.000 -3.140 14.098 1.00 5.43 O ATOM 24 CB SER A 2 -4.450 -5.472 15.526 1.00 12.24 C ATOM 25 OG SER A 2 -4.506 -6.762 16.115 1.00 42.21 O ATOM 0 H SER A 2 -1.306 -5.741 16.094 1.00 32.35 H new ATOM 0 HA SER A 2 -2.720 -5.985 14.400 1.00 10.35 H new ATOM 0 HB2 SER A 2 -4.764 -4.722 16.252 1.00 12.24 H new ATOM 0 HB3 SER A 2 -5.148 -5.419 14.691 1.00 12.24 H new ATOM 0 HG SER A 2 -5.419 -6.942 16.422 1.00 42.21 H new ATOM 31 N GLN A 3 -1.835 -3.587 13.637 1.00 72.52 N ATOM 32 CA GLN A 3 -1.619 -2.421 12.781 1.00 1.22 C ATOM 33 C GLN A 3 -1.340 -2.893 11.351 1.00 64.53 C ATOM 34 O GLN A 3 -0.660 -3.899 11.153 1.00 52.55 O ATOM 35 CB GLN A 3 -0.434 -1.600 13.323 1.00 44.11 C ATOM 36 CG GLN A 3 -0.364 -0.164 12.802 1.00 75.54 C ATOM 37 CD GLN A 3 0.732 0.654 13.473 1.00 63.24 C ATOM 38 OE1 GLN A 3 1.175 1.711 12.827 1.00 4.14 O flip ATOM 39 NE2 GLN A 3 1.138 0.369 14.593 1.00 72.34 N flip ATOM 0 H GLN A 3 -1.004 -4.165 13.760 1.00 72.52 H new ATOM 0 HA GLN A 3 -2.507 -1.789 12.777 1.00 1.22 H new ATOM 0 HB2 GLN A 3 -0.493 -1.575 14.411 1.00 44.11 H new ATOM 0 HB3 GLN A 3 0.493 -2.112 13.066 1.00 44.11 H new ATOM 0 HG2 GLN A 3 -0.192 -0.181 11.726 1.00 75.54 H new ATOM 0 HG3 GLN A 3 -1.325 0.324 12.963 1.00 75.54 H new ATOM 0 HE21 GLN A 3 0.777 -0.457 15.071 1.00 72.34 H new ATOM 0 HE22 GLN A 3 1.837 0.957 15.047 1.00 72.34 H new ATOM 48 N ILE A 4 -1.838 -2.172 10.354 1.00 22.31 N ATOM 49 CA ILE A 4 -1.704 -2.620 8.964 1.00 25.53 C ATOM 50 C ILE A 4 -0.736 -1.730 8.171 1.00 14.45 C ATOM 51 O ILE A 4 -0.855 -0.501 8.159 1.00 4.22 O ATOM 52 CB ILE A 4 -3.085 -2.681 8.253 1.00 32.41 C ATOM 53 CG1 ILE A 4 -2.935 -3.248 6.828 1.00 22.20 C ATOM 54 CG2 ILE A 4 -3.752 -1.304 8.232 1.00 44.42 C ATOM 55 CD1 ILE A 4 -4.255 -3.508 6.128 1.00 54.33 C ATOM 0 H ILE A 4 -2.332 -1.287 10.473 1.00 22.31 H new ATOM 0 HA ILE A 4 -1.288 -3.627 8.995 1.00 25.53 H new ATOM 0 HB ILE A 4 -3.731 -3.352 8.818 1.00 32.41 H new ATOM 0 HG12 ILE A 4 -2.349 -2.550 6.230 1.00 22.20 H new ATOM 0 HG13 ILE A 4 -2.371 -4.179 6.876 1.00 22.20 H new ATOM 0 HG21 ILE A 4 -4.716 -1.375 7.729 1.00 44.42 H new ATOM 0 HG22 ILE A 4 -3.900 -0.956 9.254 1.00 44.42 H new ATOM 0 HG23 ILE A 4 -3.115 -0.599 7.698 1.00 44.42 H new ATOM 0 HD11 ILE A 4 -4.066 -3.906 5.131 1.00 54.33 H new ATOM 0 HD12 ILE A 4 -4.836 -4.230 6.703 1.00 54.33 H new ATOM 0 HD13 ILE A 4 -4.814 -2.576 6.047 1.00 54.33 H new ATOM 67 N PHE A 5 0.234 -2.374 7.524 1.00 2.42 N ATOM 68 CA PHE A 5 1.283 -1.680 6.771 1.00 35.11 C ATOM 69 C PHE A 5 0.879 -1.526 5.296 1.00 42.11 C ATOM 70 O PHE A 5 0.739 -2.516 4.573 1.00 44.05 O ATOM 71 CB PHE A 5 2.598 -2.473 6.885 1.00 24.33 C ATOM 72 CG PHE A 5 3.822 -1.755 6.359 1.00 13.24 C ATOM 73 CD1 PHE A 5 4.090 -1.704 4.999 1.00 3.15 C ATOM 74 CD2 PHE A 5 4.713 -1.142 7.231 1.00 65.43 C ATOM 75 CE1 PHE A 5 5.215 -1.060 4.523 1.00 33.44 C ATOM 76 CE2 PHE A 5 5.838 -0.494 6.756 1.00 70.24 C ATOM 77 CZ PHE A 5 6.088 -0.454 5.400 1.00 31.34 C ATOM 0 H PHE A 5 0.317 -3.390 7.506 1.00 2.42 H new ATOM 0 HA PHE A 5 1.423 -0.683 7.189 1.00 35.11 H new ATOM 0 HB2 PHE A 5 2.764 -2.724 7.933 1.00 24.33 H new ATOM 0 HB3 PHE A 5 2.486 -3.413 6.345 1.00 24.33 H new ATOM 0 HD1 PHE A 5 3.410 -2.174 4.304 1.00 3.15 H new ATOM 0 HD2 PHE A 5 4.524 -1.172 8.294 1.00 65.43 H new ATOM 0 HE1 PHE A 5 5.411 -1.031 3.461 1.00 33.44 H new ATOM 0 HE2 PHE A 5 6.520 -0.020 7.446 1.00 70.24 H new ATOM 0 HZ PHE A 5 6.966 0.051 5.026 1.00 31.34 H new ATOM 87 N VAL A 6 0.690 -0.285 4.857 1.00 42.22 N ATOM 88 CA VAL A 6 0.300 -0.003 3.472 1.00 41.11 C ATOM 89 C VAL A 6 1.282 0.963 2.787 1.00 64.13 C ATOM 90 O VAL A 6 1.729 1.947 3.382 1.00 72.31 O ATOM 91 CB VAL A 6 -1.137 0.575 3.398 1.00 51.43 C ATOM 92 CG1 VAL A 6 -1.240 1.894 4.160 1.00 4.12 C ATOM 93 CG2 VAL A 6 -1.585 0.745 1.945 1.00 61.51 C ATOM 0 H VAL A 6 0.800 0.545 5.439 1.00 42.22 H new ATOM 0 HA VAL A 6 0.326 -0.954 2.941 1.00 41.11 H new ATOM 0 HB VAL A 6 -1.808 -0.139 3.875 1.00 51.43 H new ATOM 0 HG11 VAL A 6 -2.259 2.276 4.091 1.00 4.12 H new ATOM 0 HG12 VAL A 6 -0.984 1.730 5.207 1.00 4.12 H new ATOM 0 HG13 VAL A 6 -0.551 2.619 3.727 1.00 4.12 H new ATOM 0 HG21 VAL A 6 -2.596 1.152 1.921 1.00 61.51 H new ATOM 0 HG22 VAL A 6 -0.907 1.428 1.433 1.00 61.51 H new ATOM 0 HG23 VAL A 6 -1.572 -0.223 1.444 1.00 61.51 H new ATOM 103 N VAL A 7 1.615 0.668 1.534 1.00 52.53 N ATOM 104 CA VAL A 7 2.527 1.498 0.746 1.00 2.20 C ATOM 105 C VAL A 7 1.811 2.138 -0.453 1.00 53.22 C ATOM 106 O VAL A 7 1.279 1.435 -1.311 1.00 1.22 O ATOM 107 CB VAL A 7 3.724 0.669 0.216 1.00 31.04 C ATOM 108 CG1 VAL A 7 4.630 1.527 -0.666 1.00 21.54 C ATOM 109 CG2 VAL A 7 4.512 0.057 1.373 1.00 60.15 C ATOM 0 H VAL A 7 1.263 -0.149 1.036 1.00 52.53 H new ATOM 0 HA VAL A 7 2.889 2.281 1.413 1.00 2.20 H new ATOM 0 HB VAL A 7 3.331 -0.144 -0.394 1.00 31.04 H new ATOM 0 HG11 VAL A 7 5.463 0.924 -1.027 1.00 21.54 H new ATOM 0 HG12 VAL A 7 4.060 1.904 -1.515 1.00 21.54 H new ATOM 0 HG13 VAL A 7 5.014 2.366 -0.086 1.00 21.54 H new ATOM 0 HG21 VAL A 7 5.348 -0.521 0.979 1.00 60.15 H new ATOM 0 HG22 VAL A 7 4.891 0.852 2.015 1.00 60.15 H new ATOM 0 HG23 VAL A 7 3.860 -0.597 1.952 1.00 60.15 H new ATOM 119 N PHE A 8 1.799 3.465 -0.510 1.00 3.24 N ATOM 120 CA PHE A 8 1.255 4.179 -1.671 1.00 52.12 C ATOM 121 C PHE A 8 2.396 4.726 -2.541 1.00 52.31 C ATOM 122 O PHE A 8 3.247 5.482 -2.068 1.00 61.21 O ATOM 123 CB PHE A 8 0.340 5.330 -1.225 1.00 1.44 C ATOM 124 CG PHE A 8 -0.924 4.881 -0.533 1.00 14.24 C ATOM 125 CD1 PHE A 8 -0.951 4.673 0.839 1.00 62.31 C ATOM 126 CD2 PHE A 8 -2.088 4.672 -1.261 1.00 20.12 C ATOM 127 CE1 PHE A 8 -2.113 4.267 1.468 1.00 50.23 C ATOM 128 CE2 PHE A 8 -3.251 4.266 -0.635 1.00 45.11 C ATOM 129 CZ PHE A 8 -3.264 4.063 0.731 1.00 5.03 C ATOM 0 H PHE A 8 2.157 4.071 0.228 1.00 3.24 H new ATOM 0 HA PHE A 8 0.665 3.474 -2.257 1.00 52.12 H new ATOM 0 HB2 PHE A 8 0.897 5.983 -0.553 1.00 1.44 H new ATOM 0 HB3 PHE A 8 0.072 5.925 -2.098 1.00 1.44 H new ATOM 0 HD1 PHE A 8 -0.055 4.830 1.421 1.00 62.31 H new ATOM 0 HD2 PHE A 8 -2.084 4.829 -2.330 1.00 20.12 H new ATOM 0 HE1 PHE A 8 -2.121 4.109 2.536 1.00 50.23 H new ATOM 0 HE2 PHE A 8 -4.149 4.108 -1.213 1.00 45.11 H new ATOM 0 HZ PHE A 8 -4.172 3.745 1.222 1.00 5.03 H new ATOM 139 N SER A 9 2.424 4.331 -3.808 1.00 52.45 N ATOM 140 CA SER A 9 3.445 4.822 -4.741 1.00 63.42 C ATOM 141 C SER A 9 2.863 5.054 -6.135 1.00 1.31 C ATOM 142 O SER A 9 2.135 4.213 -6.663 1.00 14.21 O ATOM 143 CB SER A 9 4.619 3.839 -4.834 1.00 61.32 C ATOM 144 OG SER A 9 5.622 4.320 -5.719 1.00 11.42 O ATOM 0 H SER A 9 1.758 3.676 -4.217 1.00 52.45 H new ATOM 0 HA SER A 9 3.805 5.774 -4.351 1.00 63.42 H new ATOM 0 HB2 SER A 9 5.047 3.685 -3.844 1.00 61.32 H new ATOM 0 HB3 SER A 9 4.259 2.870 -5.180 1.00 61.32 H new ATOM 0 HG SER A 9 5.728 3.694 -6.465 1.00 11.42 H new ATOM 150 N SER A 10 3.184 6.200 -6.727 1.00 63.42 N ATOM 151 CA SER A 10 2.770 6.504 -8.103 1.00 40.42 C ATOM 152 C SER A 10 3.778 5.944 -9.115 1.00 13.15 C ATOM 153 O SER A 10 3.469 5.787 -10.298 1.00 43.23 O ATOM 154 CB SER A 10 2.623 8.019 -8.298 1.00 61.11 C ATOM 155 OG SER A 10 2.188 8.336 -9.613 1.00 74.13 O ATOM 0 H SER A 10 3.729 6.937 -6.280 1.00 63.42 H new ATOM 0 HA SER A 10 1.804 6.028 -8.275 1.00 40.42 H new ATOM 0 HB2 SER A 10 1.910 8.412 -7.573 1.00 61.11 H new ATOM 0 HB3 SER A 10 3.578 8.506 -8.102 1.00 61.11 H new ATOM 0 HG SER A 10 2.103 9.308 -9.704 1.00 74.13 H new ATOM 161 N ASP A 11 4.985 5.641 -8.634 1.00 42.30 N ATOM 162 CA ASP A 11 6.053 5.098 -9.476 1.00 3.13 C ATOM 163 C ASP A 11 6.091 3.555 -9.392 1.00 13.24 C ATOM 164 O ASP A 11 6.606 2.988 -8.420 1.00 45.41 O ATOM 165 CB ASP A 11 7.407 5.674 -9.033 1.00 62.12 C ATOM 166 CG ASP A 11 7.371 7.184 -8.848 1.00 53.43 C ATOM 167 OD1 ASP A 11 7.046 7.643 -7.733 1.00 12.45 O ATOM 168 OD2 ASP A 11 7.679 7.921 -9.811 1.00 72.33 O ATOM 0 H ASP A 11 5.249 5.764 -7.656 1.00 42.30 H new ATOM 0 HA ASP A 11 5.854 5.382 -10.509 1.00 3.13 H new ATOM 0 HB2 ASP A 11 7.708 5.204 -8.096 1.00 62.12 H new ATOM 0 HB3 ASP A 11 8.165 5.421 -9.774 1.00 62.12 H new ATOM 173 N PRO A 12 5.558 2.843 -10.411 1.00 44.32 N ATOM 174 CA PRO A 12 5.495 1.367 -10.399 1.00 14.31 C ATOM 175 C PRO A 12 6.882 0.708 -10.317 1.00 70.42 C ATOM 176 O PRO A 12 7.027 -0.409 -9.817 1.00 32.31 O ATOM 177 CB PRO A 12 4.798 1.024 -11.730 1.00 52.51 C ATOM 178 CG PRO A 12 4.988 2.232 -12.588 1.00 31.53 C ATOM 179 CD PRO A 12 4.986 3.406 -11.649 1.00 42.23 C ATOM 0 HA PRO A 12 4.967 0.994 -9.521 1.00 14.31 H new ATOM 0 HB2 PRO A 12 5.239 0.140 -12.190 1.00 52.51 H new ATOM 0 HB3 PRO A 12 3.740 0.810 -11.578 1.00 52.51 H new ATOM 0 HG2 PRO A 12 5.926 2.175 -13.141 1.00 31.53 H new ATOM 0 HG3 PRO A 12 4.189 2.319 -13.324 1.00 31.53 H new ATOM 0 HD2 PRO A 12 5.587 4.230 -12.033 1.00 42.23 H new ATOM 0 HD3 PRO A 12 3.980 3.793 -11.489 1.00 42.23 H new ATOM 187 N GLU A 13 7.896 1.423 -10.794 1.00 42.24 N ATOM 188 CA GLU A 13 9.277 0.932 -10.789 1.00 44.35 C ATOM 189 C GLU A 13 9.802 0.729 -9.355 1.00 43.03 C ATOM 190 O GLU A 13 10.666 -0.113 -9.113 1.00 71.40 O ATOM 191 CB GLU A 13 10.170 1.916 -11.560 1.00 0.35 C ATOM 192 CG GLU A 13 9.714 2.139 -13.000 1.00 44.31 C ATOM 193 CD GLU A 13 10.550 3.166 -13.747 1.00 52.30 C ATOM 194 OE1 GLU A 13 11.663 2.820 -14.198 1.00 53.52 O ATOM 195 OE2 GLU A 13 10.095 4.321 -13.895 1.00 42.13 O ATOM 0 H GLU A 13 7.789 2.355 -11.194 1.00 42.24 H new ATOM 0 HA GLU A 13 9.300 -0.041 -11.280 1.00 44.35 H new ATOM 0 HB2 GLU A 13 10.182 2.872 -11.037 1.00 0.35 H new ATOM 0 HB3 GLU A 13 11.194 1.542 -11.563 1.00 0.35 H new ATOM 0 HG2 GLU A 13 9.753 1.191 -13.536 1.00 44.31 H new ATOM 0 HG3 GLU A 13 8.673 2.462 -12.998 1.00 44.31 H new ATOM 202 N ILE A 14 9.265 1.497 -8.405 1.00 75.42 N ATOM 203 CA ILE A 14 9.648 1.365 -6.994 1.00 1.54 C ATOM 204 C ILE A 14 8.914 0.194 -6.322 1.00 44.22 C ATOM 205 O ILE A 14 9.543 -0.664 -5.698 1.00 3.11 O ATOM 206 CB ILE A 14 9.374 2.674 -6.204 1.00 30.32 C ATOM 207 CG1 ILE A 14 10.235 3.819 -6.762 1.00 72.40 C ATOM 208 CG2 ILE A 14 9.640 2.477 -4.709 1.00 10.33 C ATOM 209 CD1 ILE A 14 9.955 5.165 -6.124 1.00 40.52 C ATOM 0 H ILE A 14 8.565 2.216 -8.585 1.00 75.42 H new ATOM 0 HA ILE A 14 10.719 1.165 -6.976 1.00 1.54 H new ATOM 0 HB ILE A 14 8.323 2.936 -6.325 1.00 30.32 H new ATOM 0 HG12 ILE A 14 11.287 3.572 -6.619 1.00 72.40 H new ATOM 0 HG13 ILE A 14 10.068 3.895 -7.836 1.00 72.40 H new ATOM 0 HG21 ILE A 14 9.441 3.408 -4.178 1.00 10.33 H new ATOM 0 HG22 ILE A 14 8.988 1.693 -4.324 1.00 10.33 H new ATOM 0 HG23 ILE A 14 10.681 2.190 -4.559 1.00 10.33 H new ATOM 0 HD11 ILE A 14 10.601 5.921 -6.570 1.00 40.52 H new ATOM 0 HD12 ILE A 14 8.912 5.436 -6.289 1.00 40.52 H new ATOM 0 HD13 ILE A 14 10.150 5.108 -5.053 1.00 40.52 H new ATOM 221 N LEU A 15 7.585 0.151 -6.461 1.00 44.44 N ATOM 222 CA LEU A 15 6.781 -0.915 -5.841 1.00 15.21 C ATOM 223 C LEU A 15 7.227 -2.301 -6.341 1.00 45.21 C ATOM 224 O LEU A 15 7.176 -3.287 -5.605 1.00 14.30 O ATOM 225 CB LEU A 15 5.274 -0.688 -6.101 1.00 11.12 C ATOM 226 CG LEU A 15 4.716 -1.180 -7.460 1.00 72.31 C ATOM 227 CD1 LEU A 15 4.285 -2.646 -7.387 1.00 23.23 C ATOM 228 CD2 LEU A 15 3.548 -0.315 -7.918 1.00 33.10 C ATOM 0 H LEU A 15 7.044 0.834 -6.992 1.00 44.44 H new ATOM 0 HA LEU A 15 6.945 -0.880 -4.764 1.00 15.21 H new ATOM 0 HB2 LEU A 15 4.714 -1.181 -5.306 1.00 11.12 H new ATOM 0 HB3 LEU A 15 5.072 0.380 -6.018 1.00 11.12 H new ATOM 0 HG LEU A 15 5.521 -1.094 -8.190 1.00 72.31 H new ATOM 0 HD11 LEU A 15 3.898 -2.960 -8.356 1.00 23.23 H new ATOM 0 HD12 LEU A 15 5.142 -3.264 -7.120 1.00 23.23 H new ATOM 0 HD13 LEU A 15 3.507 -2.759 -6.632 1.00 23.23 H new ATOM 0 HD21 LEU A 15 3.176 -0.683 -8.874 1.00 33.10 H new ATOM 0 HD22 LEU A 15 2.750 -0.359 -7.177 1.00 33.10 H new ATOM 0 HD23 LEU A 15 3.882 0.717 -8.031 1.00 33.10 H new ATOM 240 N LYS A 16 7.673 -2.356 -7.596 1.00 41.43 N ATOM 241 CA LYS A 16 8.169 -3.596 -8.205 1.00 1.22 C ATOM 242 C LYS A 16 9.367 -4.162 -7.419 1.00 55.03 C ATOM 243 O LYS A 16 9.571 -5.377 -7.360 1.00 12.24 O ATOM 244 CB LYS A 16 8.537 -3.321 -9.675 1.00 32.21 C ATOM 245 CG LYS A 16 8.945 -4.556 -10.488 1.00 44.13 C ATOM 246 CD LYS A 16 10.458 -4.778 -10.503 1.00 11.35 C ATOM 247 CE LYS A 16 11.202 -3.597 -11.123 1.00 64.15 C ATOM 248 NZ LYS A 16 12.660 -3.860 -11.261 1.00 71.40 N ATOM 0 H LYS A 16 7.702 -1.548 -8.218 1.00 41.43 H new ATOM 0 HA LYS A 16 7.386 -4.353 -8.171 1.00 1.22 H new ATOM 0 HB2 LYS A 16 7.685 -2.849 -10.164 1.00 32.21 H new ATOM 0 HB3 LYS A 16 9.356 -2.603 -9.699 1.00 32.21 H new ATOM 0 HG2 LYS A 16 8.457 -5.437 -10.072 1.00 44.13 H new ATOM 0 HG3 LYS A 16 8.588 -4.446 -11.512 1.00 44.13 H new ATOM 0 HD2 LYS A 16 10.812 -4.935 -9.484 1.00 11.35 H new ATOM 0 HD3 LYS A 16 10.686 -5.685 -11.063 1.00 11.35 H new ATOM 0 HE2 LYS A 16 10.780 -3.378 -12.104 1.00 64.15 H new ATOM 0 HE3 LYS A 16 11.051 -2.711 -10.506 1.00 64.15 H new ATOM 0 HZ1 LYS A 16 13.136 -3.002 -11.606 1.00 71.40 H new ATOM 0 HZ2 LYS A 16 13.054 -4.126 -10.336 1.00 71.40 H new ATOM 0 HZ3 LYS A 16 12.810 -4.636 -11.937 1.00 71.40 H new ATOM 262 N GLU A 17 10.155 -3.274 -6.817 1.00 1.22 N ATOM 263 CA GLU A 17 11.271 -3.684 -5.960 1.00 12.31 C ATOM 264 C GLU A 17 10.807 -3.956 -4.519 1.00 30.41 C ATOM 265 O GLU A 17 11.400 -4.766 -3.812 1.00 22.20 O ATOM 266 CB GLU A 17 12.376 -2.620 -5.981 1.00 32.12 C ATOM 267 CG GLU A 17 13.056 -2.480 -7.339 1.00 61.23 C ATOM 268 CD GLU A 17 13.710 -3.777 -7.798 1.00 30.11 C ATOM 269 OE1 GLU A 17 14.847 -4.056 -7.368 1.00 44.54 O ATOM 270 OE2 GLU A 17 13.090 -4.528 -8.585 1.00 34.44 O ATOM 0 H GLU A 17 10.043 -2.264 -6.905 1.00 1.22 H new ATOM 0 HA GLU A 17 11.672 -4.617 -6.356 1.00 12.31 H new ATOM 0 HB2 GLU A 17 11.950 -1.658 -5.696 1.00 32.12 H new ATOM 0 HB3 GLU A 17 13.126 -2.871 -5.231 1.00 32.12 H new ATOM 0 HG2 GLU A 17 12.321 -2.165 -8.080 1.00 61.23 H new ATOM 0 HG3 GLU A 17 13.810 -1.695 -7.285 1.00 61.23 H new ATOM 277 N ILE A 18 9.742 -3.285 -4.094 1.00 14.31 N ATOM 278 CA ILE A 18 9.163 -3.518 -2.765 1.00 72.12 C ATOM 279 C ILE A 18 8.588 -4.941 -2.652 1.00 45.31 C ATOM 280 O ILE A 18 8.887 -5.673 -1.707 1.00 13.02 O ATOM 281 CB ILE A 18 8.044 -2.490 -2.453 1.00 44.32 C ATOM 282 CG1 ILE A 18 8.592 -1.055 -2.529 1.00 24.43 C ATOM 283 CG2 ILE A 18 7.430 -2.762 -1.079 1.00 42.42 C ATOM 284 CD1 ILE A 18 7.537 0.013 -2.344 1.00 72.11 C ATOM 0 H ILE A 18 9.259 -2.576 -4.645 1.00 14.31 H new ATOM 0 HA ILE A 18 9.968 -3.399 -2.040 1.00 72.12 H new ATOM 0 HB ILE A 18 7.261 -2.597 -3.203 1.00 44.32 H new ATOM 0 HG12 ILE A 18 9.361 -0.929 -1.766 1.00 24.43 H new ATOM 0 HG13 ILE A 18 9.075 -0.911 -3.495 1.00 24.43 H new ATOM 0 HG21 ILE A 18 6.647 -2.030 -0.879 1.00 42.42 H new ATOM 0 HG22 ILE A 18 7.002 -3.764 -1.064 1.00 42.42 H new ATOM 0 HG23 ILE A 18 8.202 -2.685 -0.314 1.00 42.42 H new ATOM 0 HD11 ILE A 18 8.000 0.997 -2.411 1.00 72.11 H new ATOM 0 HD12 ILE A 18 6.780 -0.085 -3.122 1.00 72.11 H new ATOM 0 HD13 ILE A 18 7.070 -0.103 -1.366 1.00 72.11 H new ATOM 296 N VAL A 19 7.776 -5.323 -3.639 1.00 22.33 N ATOM 297 CA VAL A 19 7.123 -6.638 -3.665 1.00 72.44 C ATOM 298 C VAL A 19 8.123 -7.797 -3.475 1.00 74.41 C ATOM 299 O VAL A 19 7.914 -8.678 -2.638 1.00 24.32 O ATOM 300 CB VAL A 19 6.350 -6.845 -4.994 1.00 64.54 C ATOM 301 CG1 VAL A 19 5.760 -8.250 -5.070 1.00 24.44 C ATOM 302 CG2 VAL A 19 5.251 -5.792 -5.152 1.00 24.03 C ATOM 0 H VAL A 19 7.551 -4.734 -4.441 1.00 22.33 H new ATOM 0 HA VAL A 19 6.426 -6.651 -2.827 1.00 72.44 H new ATOM 0 HB VAL A 19 7.058 -6.729 -5.815 1.00 64.54 H new ATOM 0 HG11 VAL A 19 5.223 -8.369 -6.011 1.00 24.44 H new ATOM 0 HG12 VAL A 19 6.563 -8.985 -5.015 1.00 24.44 H new ATOM 0 HG13 VAL A 19 5.072 -8.401 -4.238 1.00 24.44 H new ATOM 0 HG21 VAL A 19 4.722 -5.956 -6.091 1.00 24.03 H new ATOM 0 HG22 VAL A 19 4.549 -5.871 -4.321 1.00 24.03 H new ATOM 0 HG23 VAL A 19 5.698 -4.798 -5.157 1.00 24.03 H new ATOM 312 N ARG A 20 9.208 -7.789 -4.253 1.00 74.01 N ATOM 313 CA ARG A 20 10.216 -8.860 -4.188 1.00 32.05 C ATOM 314 C ARG A 20 10.849 -8.964 -2.791 1.00 22.13 C ATOM 315 O ARG A 20 11.093 -10.064 -2.295 1.00 72.12 O ATOM 316 CB ARG A 20 11.299 -8.642 -5.255 1.00 34.42 C ATOM 317 CG ARG A 20 12.041 -7.316 -5.127 1.00 22.42 C ATOM 318 CD ARG A 20 13.037 -7.105 -6.261 1.00 12.52 C ATOM 319 NE ARG A 20 12.380 -7.069 -7.565 1.00 31.13 N ATOM 320 CZ ARG A 20 12.331 -8.079 -8.387 1.00 4.34 C ATOM 321 NH1 ARG A 20 12.908 -9.200 -8.087 1.00 53.03 N ATOM 322 NH2 ARG A 20 11.714 -7.958 -9.514 1.00 4.54 N ATOM 0 H ARG A 20 9.414 -7.058 -4.934 1.00 74.01 H new ATOM 0 HA ARG A 20 9.708 -9.803 -4.388 1.00 32.05 H new ATOM 0 HB2 ARG A 20 12.021 -9.457 -5.197 1.00 34.42 H new ATOM 0 HB3 ARG A 20 10.838 -8.694 -6.241 1.00 34.42 H new ATOM 0 HG2 ARG A 20 11.321 -6.497 -5.120 1.00 22.42 H new ATOM 0 HG3 ARG A 20 12.567 -7.286 -4.173 1.00 22.42 H new ATOM 0 HD2 ARG A 20 13.577 -6.172 -6.101 1.00 12.52 H new ATOM 0 HD3 ARG A 20 13.776 -7.906 -6.249 1.00 12.52 H new ATOM 0 HE ARG A 20 11.931 -6.199 -7.850 1.00 31.13 H new ATOM 0 HH11 ARG A 20 13.405 -9.297 -7.202 1.00 53.03 H new ATOM 0 HH12 ARG A 20 12.865 -9.986 -8.736 1.00 53.03 H new ATOM 0 HH21 ARG A 20 11.267 -7.074 -9.758 1.00 4.54 H new ATOM 0 HH22 ARG A 20 11.673 -8.746 -10.160 1.00 4.54 H new ATOM 336 N GLU A 21 11.107 -7.819 -2.158 1.00 64.01 N ATOM 337 CA GLU A 21 11.635 -7.798 -0.791 1.00 14.41 C ATOM 338 C GLU A 21 10.665 -8.491 0.174 1.00 73.42 C ATOM 339 O GLU A 21 11.049 -9.391 0.919 1.00 12.33 O ATOM 340 CB GLU A 21 11.886 -6.353 -0.337 1.00 71.41 C ATOM 341 CG GLU A 21 12.968 -5.633 -1.136 1.00 23.23 C ATOM 342 CD GLU A 21 14.352 -6.232 -0.931 1.00 25.02 C ATOM 343 OE1 GLU A 21 15.066 -5.784 -0.007 1.00 44.40 O ATOM 344 OE2 GLU A 21 14.738 -7.147 -1.693 1.00 12.30 O ATOM 0 H GLU A 21 10.960 -6.896 -2.567 1.00 64.01 H new ATOM 0 HA GLU A 21 12.581 -8.340 -0.782 1.00 14.41 H new ATOM 0 HB2 GLU A 21 10.955 -5.791 -0.416 1.00 71.41 H new ATOM 0 HB3 GLU A 21 12.168 -6.357 0.716 1.00 71.41 H new ATOM 0 HG2 GLU A 21 12.715 -5.669 -2.196 1.00 23.23 H new ATOM 0 HG3 GLU A 21 12.986 -4.582 -0.848 1.00 23.23 H new ATOM 351 N ILE A 22 9.401 -8.078 0.132 1.00 51.11 N ATOM 352 CA ILE A 22 8.357 -8.665 0.980 1.00 4.31 C ATOM 353 C ILE A 22 8.259 -10.188 0.777 1.00 4.14 C ATOM 354 O ILE A 22 8.246 -10.963 1.739 1.00 5.34 O ATOM 355 CB ILE A 22 6.978 -8.033 0.666 1.00 65.52 C ATOM 356 CG1 ILE A 22 7.056 -6.501 0.722 1.00 42.32 C ATOM 357 CG2 ILE A 22 5.915 -8.542 1.636 1.00 31.51 C ATOM 358 CD1 ILE A 22 5.788 -5.805 0.269 1.00 1.54 C ATOM 0 H ILE A 22 9.070 -7.335 -0.483 1.00 51.11 H new ATOM 0 HA ILE A 22 8.632 -8.459 2.015 1.00 4.31 H new ATOM 0 HB ILE A 22 6.695 -8.329 -0.344 1.00 65.52 H new ATOM 0 HG12 ILE A 22 7.281 -6.195 1.744 1.00 42.32 H new ATOM 0 HG13 ILE A 22 7.885 -6.166 0.099 1.00 42.32 H new ATOM 0 HG21 ILE A 22 4.955 -8.085 1.396 1.00 31.51 H new ATOM 0 HG22 ILE A 22 5.833 -9.625 1.550 1.00 31.51 H new ATOM 0 HG23 ILE A 22 6.197 -8.280 2.656 1.00 31.51 H new ATOM 0 HD11 ILE A 22 5.921 -4.725 0.337 1.00 1.54 H new ATOM 0 HD12 ILE A 22 5.571 -6.079 -0.763 1.00 1.54 H new ATOM 0 HD13 ILE A 22 4.958 -6.109 0.907 1.00 1.54 H new ATOM 370 N LYS A 23 8.200 -10.606 -0.486 1.00 14.22 N ATOM 371 CA LYS A 23 8.097 -12.026 -0.834 1.00 45.41 C ATOM 372 C LYS A 23 9.362 -12.808 -0.437 1.00 34.34 C ATOM 373 O LYS A 23 9.281 -13.982 -0.069 1.00 13.31 O ATOM 374 CB LYS A 23 7.814 -12.186 -2.336 1.00 24.03 C ATOM 375 CG LYS A 23 6.439 -11.659 -2.773 1.00 20.02 C ATOM 376 CD LYS A 23 5.453 -12.786 -3.104 1.00 73.31 C ATOM 377 CE LYS A 23 5.114 -13.660 -1.896 1.00 4.21 C ATOM 378 NZ LYS A 23 4.292 -12.942 -0.882 1.00 73.22 N ATOM 0 H LYS A 23 8.222 -9.980 -1.291 1.00 14.22 H new ATOM 0 HA LYS A 23 7.265 -12.445 -0.268 1.00 45.41 H new ATOM 0 HB2 LYS A 23 8.587 -11.663 -2.899 1.00 24.03 H new ATOM 0 HB3 LYS A 23 7.887 -13.241 -2.599 1.00 24.03 H new ATOM 0 HG2 LYS A 23 6.023 -11.039 -1.979 1.00 20.02 H new ATOM 0 HG3 LYS A 23 6.560 -11.019 -3.647 1.00 20.02 H new ATOM 0 HD2 LYS A 23 4.535 -12.353 -3.501 1.00 73.31 H new ATOM 0 HD3 LYS A 23 5.876 -13.411 -3.890 1.00 73.31 H new ATOM 0 HE2 LYS A 23 4.576 -14.546 -2.233 1.00 4.21 H new ATOM 0 HE3 LYS A 23 6.038 -14.005 -1.431 1.00 4.21 H new ATOM 0 HZ1 LYS A 23 3.720 -13.628 -0.349 1.00 73.22 H new ATOM 0 HZ2 LYS A 23 4.917 -12.430 -0.227 1.00 73.22 H new ATOM 0 HZ3 LYS A 23 3.664 -12.265 -1.360 1.00 73.22 H new ATOM 392 N ARG A 24 10.528 -12.156 -0.500 1.00 62.52 N ATOM 393 CA ARG A 24 11.788 -12.791 -0.082 1.00 64.24 C ATOM 394 C ARG A 24 11.796 -13.007 1.442 1.00 14.21 C ATOM 395 O ARG A 24 12.364 -13.979 1.943 1.00 75.32 O ATOM 396 CB ARG A 24 13.008 -11.946 -0.516 1.00 35.13 C ATOM 397 CG ARG A 24 13.663 -11.143 0.611 1.00 41.34 C ATOM 398 CD ARG A 24 14.840 -10.308 0.116 1.00 71.23 C ATOM 399 NE ARG A 24 15.601 -9.726 1.223 1.00 13.03 N ATOM 400 CZ ARG A 24 16.447 -8.739 1.090 1.00 61.22 C ATOM 401 NH1 ARG A 24 16.630 -8.180 -0.057 1.00 55.33 N ATOM 402 NH2 ARG A 24 17.105 -8.309 2.113 1.00 53.12 N ATOM 0 H ARG A 24 10.628 -11.197 -0.833 1.00 62.52 H new ATOM 0 HA ARG A 24 11.860 -13.761 -0.574 1.00 64.24 H new ATOM 0 HB2 ARG A 24 13.755 -12.609 -0.953 1.00 35.13 H new ATOM 0 HB3 ARG A 24 12.695 -11.257 -1.300 1.00 35.13 H new ATOM 0 HG2 ARG A 24 12.921 -10.487 1.066 1.00 41.34 H new ATOM 0 HG3 ARG A 24 14.006 -11.825 1.389 1.00 41.34 H new ATOM 0 HD2 ARG A 24 15.498 -10.932 -0.489 1.00 71.23 H new ATOM 0 HD3 ARG A 24 14.473 -9.511 -0.531 1.00 71.23 H new ATOM 0 HE ARG A 24 15.462 -10.115 2.156 1.00 13.03 H new ATOM 0 HH11 ARG A 24 16.112 -8.507 -0.872 1.00 55.33 H new ATOM 0 HH12 ARG A 24 17.293 -7.410 -0.149 1.00 55.33 H new ATOM 0 HH21 ARG A 24 16.965 -8.740 3.027 1.00 53.12 H new ATOM 0 HH22 ARG A 24 17.765 -7.539 2.008 1.00 53.12 H new ATOM 416 N GLN A 25 11.158 -12.088 2.171 1.00 2.43 N ATOM 417 CA GLN A 25 11.023 -12.202 3.628 1.00 35.14 C ATOM 418 C GLN A 25 10.007 -13.295 4.002 1.00 63.25 C ATOM 419 O GLN A 25 9.978 -13.772 5.138 1.00 62.11 O ATOM 420 CB GLN A 25 10.570 -10.863 4.232 1.00 22.53 C ATOM 421 CG GLN A 25 11.478 -9.678 3.916 1.00 24.34 C ATOM 422 CD GLN A 25 12.889 -9.831 4.455 1.00 42.42 C ATOM 423 OE1 GLN A 25 13.123 -10.509 5.448 1.00 3.11 O ATOM 424 NE2 GLN A 25 13.837 -9.174 3.817 1.00 42.33 N ATOM 0 H GLN A 25 10.725 -11.253 1.776 1.00 2.43 H new ATOM 0 HA GLN A 25 11.999 -12.471 4.031 1.00 35.14 H new ATOM 0 HB2 GLN A 25 9.566 -10.639 3.872 1.00 22.53 H new ATOM 0 HB3 GLN A 25 10.503 -10.973 5.314 1.00 22.53 H new ATOM 0 HG2 GLN A 25 11.524 -9.544 2.835 1.00 24.34 H new ATOM 0 HG3 GLN A 25 11.036 -8.772 4.331 1.00 24.34 H new ATOM 0 HE21 GLN A 25 13.607 -8.619 2.993 1.00 42.33 H new ATOM 0 HE22 GLN A 25 14.801 -9.221 4.147 1.00 42.33 H new ATOM 433 N GLY A 26 9.174 -13.676 3.035 1.00 71.25 N ATOM 434 CA GLY A 26 8.141 -14.681 3.271 1.00 40.13 C ATOM 435 C GLY A 26 6.777 -14.077 3.592 1.00 35.20 C ATOM 436 O GLY A 26 5.817 -14.802 3.852 1.00 33.34 O ATOM 0 H GLY A 26 9.194 -13.305 2.085 1.00 71.25 H new ATOM 0 HA2 GLY A 26 8.052 -15.315 2.389 1.00 40.13 H new ATOM 0 HA3 GLY A 26 8.450 -15.323 4.096 1.00 40.13 H new ATOM 440 N VAL A 27 6.682 -12.748 3.555 1.00 43.43 N ATOM 441 CA VAL A 27 5.438 -12.048 3.895 1.00 14.51 C ATOM 442 C VAL A 27 4.498 -11.935 2.680 1.00 0.21 C ATOM 443 O VAL A 27 4.940 -11.755 1.538 1.00 42.52 O ATOM 444 CB VAL A 27 5.727 -10.634 4.464 1.00 14.55 C ATOM 445 CG1 VAL A 27 4.435 -9.938 4.897 1.00 54.53 C ATOM 446 CG2 VAL A 27 6.717 -10.714 5.625 1.00 52.54 C ATOM 0 H VAL A 27 7.451 -12.132 3.293 1.00 43.43 H new ATOM 0 HA VAL A 27 4.941 -12.643 4.661 1.00 14.51 H new ATOM 0 HB VAL A 27 6.176 -10.037 3.671 1.00 14.55 H new ATOM 0 HG11 VAL A 27 4.669 -8.949 5.292 1.00 54.53 H new ATOM 0 HG12 VAL A 27 3.770 -9.838 4.039 1.00 54.53 H new ATOM 0 HG13 VAL A 27 3.944 -10.530 5.669 1.00 54.53 H new ATOM 0 HG21 VAL A 27 6.907 -9.712 6.011 1.00 52.54 H new ATOM 0 HG22 VAL A 27 6.299 -11.335 6.417 1.00 52.54 H new ATOM 0 HG23 VAL A 27 7.652 -11.152 5.276 1.00 52.54 H new ATOM 456 N ARG A 28 3.198 -12.051 2.940 1.00 64.12 N ATOM 457 CA ARG A 28 2.174 -12.000 1.890 1.00 64.21 C ATOM 458 C ARG A 28 1.921 -10.553 1.427 1.00 40.33 C ATOM 459 O ARG A 28 1.838 -9.634 2.244 1.00 34.32 O ATOM 460 CB ARG A 28 0.882 -12.638 2.417 1.00 45.22 C ATOM 461 CG ARG A 28 -0.173 -12.902 1.348 1.00 15.50 C ATOM 462 CD ARG A 28 -1.334 -13.723 1.901 1.00 0.50 C ATOM 463 NE ARG A 28 -2.329 -14.036 0.881 1.00 20.41 N ATOM 464 CZ ARG A 28 -3.287 -14.910 1.029 1.00 62.10 C ATOM 465 NH1 ARG A 28 -3.395 -15.596 2.124 1.00 1.21 N ATOM 466 NH2 ARG A 28 -4.136 -15.096 0.074 1.00 64.42 N ATOM 0 H ARG A 28 2.822 -12.183 3.879 1.00 64.12 H new ATOM 0 HA ARG A 28 2.527 -12.559 1.023 1.00 64.21 H new ATOM 0 HB2 ARG A 28 1.130 -13.580 2.906 1.00 45.22 H new ATOM 0 HB3 ARG A 28 0.454 -11.986 3.179 1.00 45.22 H new ATOM 0 HG2 ARG A 28 -0.547 -11.954 0.962 1.00 15.50 H new ATOM 0 HG3 ARG A 28 0.281 -13.430 0.509 1.00 15.50 H new ATOM 0 HD2 ARG A 28 -0.950 -14.650 2.326 1.00 0.50 H new ATOM 0 HD3 ARG A 28 -1.810 -13.173 2.713 1.00 0.50 H new ATOM 0 HE ARG A 28 -2.272 -13.538 -0.008 1.00 20.41 H new ATOM 0 HH11 ARG A 28 -2.727 -15.456 2.882 1.00 1.21 H new ATOM 0 HH12 ARG A 28 -4.148 -16.276 2.228 1.00 1.21 H new ATOM 0 HH21 ARG A 28 -4.056 -14.561 -0.791 1.00 64.42 H new ATOM 0 HH22 ARG A 28 -4.887 -15.778 0.184 1.00 64.42 H new ATOM 480 N VAL A 29 1.790 -10.366 0.112 1.00 2.53 N ATOM 481 CA VAL A 29 1.665 -9.025 -0.478 1.00 63.20 C ATOM 482 C VAL A 29 0.282 -8.816 -1.109 1.00 3.20 C ATOM 483 O VAL A 29 -0.093 -9.527 -2.039 1.00 21.42 O ATOM 484 CB VAL A 29 2.735 -8.795 -1.576 1.00 11.54 C ATOM 485 CG1 VAL A 29 2.735 -7.339 -2.050 1.00 3.23 C ATOM 486 CG2 VAL A 29 4.116 -9.213 -1.091 1.00 44.34 C ATOM 0 H VAL A 29 1.767 -11.126 -0.568 1.00 2.53 H new ATOM 0 HA VAL A 29 1.808 -8.314 0.336 1.00 63.20 H new ATOM 0 HB VAL A 29 2.477 -9.423 -2.429 1.00 11.54 H new ATOM 0 HG11 VAL A 29 3.495 -7.207 -2.820 1.00 3.23 H new ATOM 0 HG12 VAL A 29 1.756 -7.090 -2.460 1.00 3.23 H new ATOM 0 HG13 VAL A 29 2.954 -6.682 -1.208 1.00 3.23 H new ATOM 0 HG21 VAL A 29 4.847 -9.041 -1.881 1.00 44.34 H new ATOM 0 HG22 VAL A 29 4.386 -8.627 -0.213 1.00 44.34 H new ATOM 0 HG23 VAL A 29 4.105 -10.272 -0.831 1.00 44.34 H new ATOM 496 N VAL A 30 -0.462 -7.838 -0.607 1.00 54.40 N ATOM 497 CA VAL A 30 -1.761 -7.478 -1.185 1.00 73.14 C ATOM 498 C VAL A 30 -1.633 -6.224 -2.066 1.00 65.23 C ATOM 499 O VAL A 30 -1.622 -5.097 -1.570 1.00 52.43 O ATOM 500 CB VAL A 30 -2.824 -7.236 -0.082 1.00 34.50 C ATOM 501 CG1 VAL A 30 -4.194 -6.945 -0.696 1.00 23.43 C ATOM 502 CG2 VAL A 30 -2.895 -8.429 0.868 1.00 22.34 C ATOM 0 H VAL A 30 -0.192 -7.276 0.200 1.00 54.40 H new ATOM 0 HA VAL A 30 -2.088 -8.316 -1.800 1.00 73.14 H new ATOM 0 HB VAL A 30 -2.523 -6.360 0.493 1.00 34.50 H new ATOM 0 HG11 VAL A 30 -4.921 -6.779 0.099 1.00 23.43 H new ATOM 0 HG12 VAL A 30 -4.131 -6.055 -1.322 1.00 23.43 H new ATOM 0 HG13 VAL A 30 -4.508 -7.794 -1.304 1.00 23.43 H new ATOM 0 HG21 VAL A 30 -3.646 -8.240 1.634 1.00 22.34 H new ATOM 0 HG22 VAL A 30 -3.165 -9.324 0.308 1.00 22.34 H new ATOM 0 HG23 VAL A 30 -1.924 -8.576 1.341 1.00 22.34 H new ATOM 512 N LEU A 31 -1.523 -6.428 -3.374 1.00 72.25 N ATOM 513 CA LEU A 31 -1.338 -5.326 -4.323 1.00 30.21 C ATOM 514 C LEU A 31 -2.677 -4.853 -4.909 1.00 21.21 C ATOM 515 O LEU A 31 -3.354 -5.597 -5.619 1.00 24.51 O ATOM 516 CB LEU A 31 -0.398 -5.762 -5.455 1.00 33.02 C ATOM 517 CG LEU A 31 -0.152 -4.713 -6.557 1.00 60.00 C ATOM 518 CD1 LEU A 31 0.544 -3.480 -5.988 1.00 72.42 C ATOM 519 CD2 LEU A 31 0.662 -5.311 -7.702 1.00 45.42 C ATOM 0 H LEU A 31 -1.558 -7.351 -3.807 1.00 72.25 H new ATOM 0 HA LEU A 31 -0.896 -4.490 -3.781 1.00 30.21 H new ATOM 0 HB2 LEU A 31 0.563 -6.038 -5.020 1.00 33.02 H new ATOM 0 HB3 LEU A 31 -0.808 -6.660 -5.918 1.00 33.02 H new ATOM 0 HG LEU A 31 -1.120 -4.405 -6.951 1.00 60.00 H new ATOM 0 HD11 LEU A 31 0.707 -2.754 -6.785 1.00 72.42 H new ATOM 0 HD12 LEU A 31 -0.080 -3.035 -5.213 1.00 72.42 H new ATOM 0 HD13 LEU A 31 1.503 -3.769 -5.559 1.00 72.42 H new ATOM 0 HD21 LEU A 31 0.824 -4.553 -8.468 1.00 45.42 H new ATOM 0 HD22 LEU A 31 1.624 -5.655 -7.323 1.00 45.42 H new ATOM 0 HD23 LEU A 31 0.120 -6.153 -8.133 1.00 45.42 H new ATOM 531 N LEU A 32 -3.055 -3.617 -4.604 1.00 52.02 N ATOM 532 CA LEU A 32 -4.254 -3.003 -5.177 1.00 52.23 C ATOM 533 C LEU A 32 -3.873 -2.146 -6.395 1.00 41.20 C ATOM 534 O LEU A 32 -3.447 -0.995 -6.259 1.00 33.21 O ATOM 535 CB LEU A 32 -4.976 -2.160 -4.114 1.00 12.42 C ATOM 536 CG LEU A 32 -5.342 -2.919 -2.824 1.00 63.34 C ATOM 537 CD1 LEU A 32 -6.082 -2.011 -1.846 1.00 10.03 C ATOM 538 CD2 LEU A 32 -6.171 -4.162 -3.139 1.00 0.35 C ATOM 0 H LEU A 32 -2.546 -3.014 -3.958 1.00 52.02 H new ATOM 0 HA LEU A 32 -4.935 -3.786 -5.509 1.00 52.23 H new ATOM 0 HB2 LEU A 32 -4.343 -1.312 -3.852 1.00 12.42 H new ATOM 0 HB3 LEU A 32 -5.888 -1.754 -4.551 1.00 12.42 H new ATOM 0 HG LEU A 32 -4.414 -3.240 -2.351 1.00 63.34 H new ATOM 0 HD11 LEU A 32 -6.328 -2.572 -0.944 1.00 10.03 H new ATOM 0 HD12 LEU A 32 -5.448 -1.164 -1.585 1.00 10.03 H new ATOM 0 HD13 LEU A 32 -6.999 -1.648 -2.310 1.00 10.03 H new ATOM 0 HD21 LEU A 32 -6.416 -4.680 -2.212 1.00 0.35 H new ATOM 0 HD22 LEU A 32 -7.091 -3.867 -3.645 1.00 0.35 H new ATOM 0 HD23 LEU A 32 -5.598 -4.827 -3.786 1.00 0.35 H new ATOM 550 N TYR A 33 -4.010 -2.725 -7.586 1.00 51.14 N ATOM 551 CA TYR A 33 -3.524 -2.096 -8.815 1.00 5.54 C ATOM 552 C TYR A 33 -4.574 -1.154 -9.434 1.00 51.03 C ATOM 553 O TYR A 33 -5.621 -1.594 -9.915 1.00 32.20 O ATOM 554 CB TYR A 33 -3.109 -3.180 -9.827 1.00 64.40 C ATOM 555 CG TYR A 33 -2.027 -2.725 -10.788 1.00 63.01 C ATOM 556 CD1 TYR A 33 -0.683 -2.815 -10.435 1.00 73.11 C ATOM 557 CD2 TYR A 33 -2.342 -2.194 -12.033 1.00 2.34 C ATOM 558 CE1 TYR A 33 0.311 -2.390 -11.293 1.00 64.12 C ATOM 559 CE2 TYR A 33 -1.351 -1.769 -12.899 1.00 45.30 C ATOM 560 CZ TYR A 33 -0.026 -1.867 -12.522 1.00 63.13 C ATOM 561 OH TYR A 33 0.966 -1.443 -13.377 1.00 53.35 O ATOM 0 H TYR A 33 -4.455 -3.632 -7.728 1.00 51.14 H new ATOM 0 HA TYR A 33 -2.657 -1.487 -8.559 1.00 5.54 H new ATOM 0 HB2 TYR A 33 -2.757 -4.057 -9.284 1.00 64.40 H new ATOM 0 HB3 TYR A 33 -3.985 -3.488 -10.398 1.00 64.40 H new ATOM 0 HD1 TYR A 33 -0.414 -3.225 -9.473 1.00 73.11 H new ATOM 0 HD2 TYR A 33 -3.377 -2.112 -12.329 1.00 2.34 H new ATOM 0 HE1 TYR A 33 1.348 -2.467 -11.002 1.00 64.12 H new ATOM 0 HE2 TYR A 33 -1.612 -1.363 -13.865 1.00 45.30 H new ATOM 0 HH TYR A 33 0.563 -1.102 -14.202 1.00 53.35 H new ATOM 571 N SER A 34 -4.282 0.145 -9.410 1.00 74.31 N ATOM 572 CA SER A 34 -5.177 1.170 -9.969 1.00 32.54 C ATOM 573 C SER A 34 -4.631 1.737 -11.287 1.00 3.33 C ATOM 574 O SER A 34 -3.699 2.542 -11.291 1.00 34.02 O ATOM 575 CB SER A 34 -5.370 2.316 -8.962 1.00 72.34 C ATOM 576 OG SER A 34 -4.126 2.905 -8.601 1.00 71.14 O ATOM 0 H SER A 34 -3.424 0.521 -9.006 1.00 74.31 H new ATOM 0 HA SER A 34 -6.136 0.692 -10.171 1.00 32.54 H new ATOM 0 HB2 SER A 34 -6.022 3.075 -9.393 1.00 72.34 H new ATOM 0 HB3 SER A 34 -5.868 1.938 -8.069 1.00 72.34 H new ATOM 0 HG SER A 34 -4.182 3.253 -7.686 1.00 71.14 H new ATOM 582 N ASP A 35 -5.214 1.311 -12.406 1.00 72.42 N ATOM 583 CA ASP A 35 -4.815 1.798 -13.735 1.00 55.12 C ATOM 584 C ASP A 35 -6.059 2.148 -14.577 1.00 63.22 C ATOM 585 O ASP A 35 -7.152 1.640 -14.319 1.00 60.44 O ATOM 586 CB ASP A 35 -3.951 0.740 -14.434 1.00 43.04 C ATOM 587 CG ASP A 35 -3.360 1.232 -15.743 1.00 42.11 C ATOM 588 OD1 ASP A 35 -2.262 1.824 -15.722 1.00 14.01 O ATOM 589 OD2 ASP A 35 -3.996 1.031 -16.797 1.00 43.33 O ATOM 0 H ASP A 35 -5.969 0.626 -12.423 1.00 72.42 H new ATOM 0 HA ASP A 35 -4.225 2.708 -13.623 1.00 55.12 H new ATOM 0 HB2 ASP A 35 -3.143 0.439 -13.767 1.00 43.04 H new ATOM 0 HB3 ASP A 35 -4.555 -0.147 -14.624 1.00 43.04 H new ATOM 594 N GLN A 36 -5.888 3.010 -15.583 1.00 71.23 N ATOM 595 CA GLN A 36 -7.017 3.521 -16.384 1.00 50.32 C ATOM 596 C GLN A 36 -7.304 2.675 -17.642 1.00 30.25 C ATOM 597 O GLN A 36 -8.070 3.091 -18.512 1.00 51.01 O ATOM 598 CB GLN A 36 -6.736 4.971 -16.801 1.00 5.32 C ATOM 599 CG GLN A 36 -6.587 5.943 -15.630 1.00 53.31 C ATOM 600 CD GLN A 36 -7.841 6.041 -14.774 1.00 34.44 C ATOM 601 OE1 GLN A 36 -8.722 6.852 -15.030 1.00 5.14 O ATOM 602 NE2 GLN A 36 -7.929 5.220 -13.746 1.00 11.33 N ATOM 0 H GLN A 36 -4.978 3.373 -15.867 1.00 71.23 H new ATOM 0 HA GLN A 36 -7.903 3.463 -15.752 1.00 50.32 H new ATOM 0 HB2 GLN A 36 -5.824 4.995 -17.397 1.00 5.32 H new ATOM 0 HB3 GLN A 36 -7.546 5.316 -17.444 1.00 5.32 H new ATOM 0 HG2 GLN A 36 -5.752 5.625 -15.006 1.00 53.31 H new ATOM 0 HG3 GLN A 36 -6.339 6.932 -16.015 1.00 53.31 H new ATOM 0 HE21 GLN A 36 -7.178 4.555 -13.559 1.00 11.33 H new ATOM 0 HE22 GLN A 36 -8.748 5.250 -13.138 1.00 11.33 H new ATOM 611 N ASP A 37 -6.686 1.507 -17.744 1.00 20.12 N ATOM 612 CA ASP A 37 -6.908 0.604 -18.885 1.00 63.23 C ATOM 613 C ASP A 37 -7.203 -0.827 -18.394 1.00 13.42 C ATOM 614 O ASP A 37 -6.955 -1.145 -17.233 1.00 34.44 O ATOM 615 CB ASP A 37 -5.672 0.625 -19.794 1.00 2.40 C ATOM 616 CG ASP A 37 -5.925 -0.005 -21.150 1.00 42.42 C ATOM 617 OD1 ASP A 37 -6.499 0.678 -22.027 1.00 63.04 O ATOM 618 OD2 ASP A 37 -5.543 -1.174 -21.352 1.00 62.22 O ATOM 0 H ASP A 37 -6.024 1.154 -17.053 1.00 20.12 H new ATOM 0 HA ASP A 37 -7.774 0.945 -19.452 1.00 63.23 H new ATOM 0 HB2 ASP A 37 -5.347 1.656 -19.933 1.00 2.40 H new ATOM 0 HB3 ASP A 37 -4.856 0.098 -19.301 1.00 2.40 H new ATOM 623 N GLU A 38 -7.743 -1.688 -19.262 1.00 24.54 N ATOM 624 CA GLU A 38 -8.036 -3.071 -18.883 1.00 32.01 C ATOM 625 C GLU A 38 -6.979 -4.054 -19.427 1.00 23.04 C ATOM 626 O GLU A 38 -6.428 -4.864 -18.676 1.00 62.43 O ATOM 627 CB GLU A 38 -9.456 -3.470 -19.332 1.00 52.21 C ATOM 628 CG GLU A 38 -10.052 -2.624 -20.455 1.00 21.43 C ATOM 629 CD GLU A 38 -9.483 -2.950 -21.826 1.00 71.13 C ATOM 630 OE1 GLU A 38 -10.019 -3.850 -22.508 1.00 64.45 O ATOM 631 OE2 GLU A 38 -8.492 -2.313 -22.231 1.00 54.42 O ATOM 0 H GLU A 38 -7.984 -1.453 -20.225 1.00 24.54 H new ATOM 0 HA GLU A 38 -7.993 -3.130 -17.795 1.00 32.01 H new ATOM 0 HB2 GLU A 38 -9.437 -4.511 -19.656 1.00 52.21 H new ATOM 0 HB3 GLU A 38 -10.120 -3.417 -18.469 1.00 52.21 H new ATOM 0 HG2 GLU A 38 -11.132 -2.769 -20.475 1.00 21.43 H new ATOM 0 HG3 GLU A 38 -9.876 -1.570 -20.238 1.00 21.43 H new ATOM 638 N LYS A 39 -6.676 -3.957 -20.720 1.00 34.54 N ATOM 639 CA LYS A 39 -5.732 -4.875 -21.371 1.00 10.14 C ATOM 640 C LYS A 39 -4.294 -4.662 -20.874 1.00 15.01 C ATOM 641 O LYS A 39 -3.655 -5.597 -20.378 1.00 74.05 O ATOM 642 CB LYS A 39 -5.796 -4.711 -22.898 1.00 61.11 C ATOM 643 CG LYS A 39 -7.074 -5.267 -23.520 1.00 22.40 C ATOM 644 CD LYS A 39 -7.122 -5.047 -25.030 1.00 54.41 C ATOM 645 CE LYS A 39 -7.302 -3.576 -25.389 1.00 5.54 C ATOM 646 NZ LYS A 39 -8.621 -3.054 -24.944 1.00 72.14 N ATOM 0 H LYS A 39 -7.070 -3.251 -21.342 1.00 34.54 H new ATOM 0 HA LYS A 39 -6.026 -5.891 -21.106 1.00 10.14 H new ATOM 0 HB2 LYS A 39 -5.712 -3.653 -23.145 1.00 61.11 H new ATOM 0 HB3 LYS A 39 -4.937 -5.211 -23.345 1.00 61.11 H new ATOM 0 HG2 LYS A 39 -7.146 -6.334 -23.307 1.00 22.40 H new ATOM 0 HG3 LYS A 39 -7.938 -4.791 -23.057 1.00 22.40 H new ATOM 0 HD2 LYS A 39 -6.202 -5.420 -25.480 1.00 54.41 H new ATOM 0 HD3 LYS A 39 -7.942 -5.626 -25.455 1.00 54.41 H new ATOM 0 HE2 LYS A 39 -6.506 -2.990 -24.929 1.00 5.54 H new ATOM 0 HE3 LYS A 39 -7.207 -3.451 -26.468 1.00 5.54 H new ATOM 0 HZ1 LYS A 39 -9.009 -2.423 -25.674 1.00 72.14 H new ATOM 0 HZ2 LYS A 39 -9.275 -3.848 -24.790 1.00 72.14 H new ATOM 0 HZ3 LYS A 39 -8.503 -2.525 -24.056 1.00 72.14 H new ATOM 660 N ARG A 40 -3.790 -3.437 -21.002 1.00 72.32 N ATOM 661 CA ARG A 40 -2.432 -3.115 -20.549 1.00 32.42 C ATOM 662 C ARG A 40 -2.295 -3.283 -19.032 1.00 44.33 C ATOM 663 O ARG A 40 -1.285 -3.792 -18.548 1.00 11.53 O ATOM 664 CB ARG A 40 -2.029 -1.692 -20.975 1.00 45.13 C ATOM 665 CG ARG A 40 -1.506 -1.597 -22.410 1.00 10.42 C ATOM 666 CD ARG A 40 -2.567 -1.944 -23.449 1.00 13.32 C ATOM 667 NE ARG A 40 -3.645 -0.959 -23.477 1.00 44.02 N ATOM 668 CZ ARG A 40 -4.371 -0.690 -24.527 1.00 64.21 C ATOM 669 NH1 ARG A 40 -4.187 -1.314 -25.645 1.00 11.54 N ATOM 670 NH2 ARG A 40 -5.279 0.221 -24.459 1.00 42.12 N ATOM 0 H ARG A 40 -4.295 -2.652 -21.413 1.00 72.32 H new ATOM 0 HA ARG A 40 -1.752 -3.820 -21.028 1.00 32.42 H new ATOM 0 HB2 ARG A 40 -2.892 -1.034 -20.869 1.00 45.13 H new ATOM 0 HB3 ARG A 40 -1.262 -1.324 -20.294 1.00 45.13 H new ATOM 0 HG2 ARG A 40 -1.142 -0.586 -22.593 1.00 10.42 H new ATOM 0 HG3 ARG A 40 -0.656 -2.269 -22.527 1.00 10.42 H new ATOM 0 HD2 ARG A 40 -2.104 -2.004 -24.434 1.00 13.32 H new ATOM 0 HD3 ARG A 40 -2.981 -2.929 -23.231 1.00 13.32 H new ATOM 0 HE ARG A 40 -3.844 -0.447 -22.618 1.00 44.02 H new ATOM 0 HH11 ARG A 40 -3.464 -2.030 -25.716 1.00 11.54 H new ATOM 0 HH12 ARG A 40 -4.765 -1.090 -26.455 1.00 11.54 H new ATOM 0 HH21 ARG A 40 -5.428 0.729 -23.587 1.00 42.12 H new ATOM 0 HH22 ARG A 40 -5.849 0.435 -25.277 1.00 42.12 H new ATOM 684 N ARG A 41 -3.322 -2.871 -18.284 1.00 23.52 N ATOM 685 CA ARG A 41 -3.333 -3.067 -16.830 1.00 4.04 C ATOM 686 C ARG A 41 -3.100 -4.541 -16.479 1.00 24.52 C ATOM 687 O ARG A 41 -2.272 -4.859 -15.625 1.00 52.32 O ATOM 688 CB ARG A 41 -4.659 -2.586 -16.225 1.00 43.50 C ATOM 689 CG ARG A 41 -4.775 -2.830 -14.720 1.00 73.30 C ATOM 690 CD ARG A 41 -6.043 -2.213 -14.128 1.00 14.40 C ATOM 691 NE ARG A 41 -7.263 -2.772 -14.711 1.00 60.03 N ATOM 692 CZ ARG A 41 -8.467 -2.308 -14.485 1.00 2.13 C ATOM 693 NH1 ARG A 41 -8.649 -1.277 -13.721 1.00 2.32 N ATOM 694 NH2 ARG A 41 -9.490 -2.879 -15.032 1.00 72.21 N ATOM 0 H ARG A 41 -4.149 -2.404 -18.655 1.00 23.52 H new ATOM 0 HA ARG A 41 -2.522 -2.475 -16.406 1.00 4.04 H new ATOM 0 HB2 ARG A 41 -4.771 -1.520 -16.420 1.00 43.50 H new ATOM 0 HB3 ARG A 41 -5.482 -3.091 -16.730 1.00 43.50 H new ATOM 0 HG2 ARG A 41 -4.771 -3.903 -14.527 1.00 73.30 H new ATOM 0 HG3 ARG A 41 -3.902 -2.413 -14.218 1.00 73.30 H new ATOM 0 HD2 ARG A 41 -6.052 -2.374 -13.050 1.00 14.40 H new ATOM 0 HD3 ARG A 41 -6.028 -1.135 -14.289 1.00 14.40 H new ATOM 0 HE ARG A 41 -7.170 -3.575 -15.333 1.00 60.03 H new ATOM 0 HH11 ARG A 41 -7.849 -0.816 -13.287 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -9.592 -0.926 -13.554 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -9.359 -3.689 -15.638 1.00 72.21 H new ATOM 0 HH22 ARG A 41 -10.428 -2.520 -14.858 1.00 72.21 H new ATOM 708 N ARG A 42 -3.823 -5.438 -17.156 1.00 41.40 N ATOM 709 CA ARG A 42 -3.644 -6.880 -16.958 1.00 55.53 C ATOM 710 C ARG A 42 -2.199 -7.304 -17.274 1.00 11.30 C ATOM 711 O ARG A 42 -1.595 -8.075 -16.531 1.00 21.34 O ATOM 712 CB ARG A 42 -4.639 -7.669 -17.822 1.00 11.53 C ATOM 713 CG ARG A 42 -4.510 -9.186 -17.682 1.00 24.45 C ATOM 714 CD ARG A 42 -5.617 -9.925 -18.431 1.00 13.22 C ATOM 715 NE ARG A 42 -6.940 -9.660 -17.860 1.00 0.24 N ATOM 716 CZ ARG A 42 -8.072 -9.987 -18.429 1.00 75.33 C ATOM 717 NH1 ARG A 42 -8.098 -10.548 -19.596 1.00 73.52 N ATOM 718 NH2 ARG A 42 -9.186 -9.735 -17.824 1.00 34.34 N ATOM 0 H ARG A 42 -4.535 -5.193 -17.844 1.00 41.40 H new ATOM 0 HA ARG A 42 -3.840 -7.105 -15.910 1.00 55.53 H new ATOM 0 HB2 ARG A 42 -5.653 -7.374 -17.553 1.00 11.53 H new ATOM 0 HB3 ARG A 42 -4.494 -7.396 -18.867 1.00 11.53 H new ATOM 0 HG2 ARG A 42 -3.540 -9.504 -18.063 1.00 24.45 H new ATOM 0 HG3 ARG A 42 -4.543 -9.457 -16.627 1.00 24.45 H new ATOM 0 HD2 ARG A 42 -5.608 -9.625 -19.479 1.00 13.22 H new ATOM 0 HD3 ARG A 42 -5.419 -10.997 -18.405 1.00 13.22 H new ATOM 0 HE ARG A 42 -6.981 -9.188 -16.957 1.00 0.24 H new ATOM 0 HH11 ARG A 42 -7.226 -10.742 -20.088 1.00 73.52 H new ATOM 0 HH12 ARG A 42 -8.991 -10.796 -20.023 1.00 73.52 H new ATOM 0 HH21 ARG A 42 -9.179 -9.284 -16.909 1.00 34.34 H new ATOM 0 HH22 ARG A 42 -10.072 -9.987 -18.261 1.00 34.34 H new ATOM 732 N GLU A 43 -1.645 -6.780 -18.367 1.00 33.41 N ATOM 733 CA GLU A 43 -0.247 -7.044 -18.735 1.00 11.21 C ATOM 734 C GLU A 43 0.727 -6.585 -17.634 1.00 22.40 C ATOM 735 O GLU A 43 1.744 -7.230 -17.373 1.00 21.13 O ATOM 736 CB GLU A 43 0.099 -6.330 -20.051 1.00 21.11 C ATOM 737 CG GLU A 43 -0.690 -6.825 -21.260 1.00 33.10 C ATOM 738 CD GLU A 43 -0.351 -6.061 -22.534 1.00 42.11 C ATOM 739 OE1 GLU A 43 0.847 -5.988 -22.886 1.00 31.35 O ATOM 740 OE2 GLU A 43 -1.278 -5.533 -23.186 1.00 54.23 O ATOM 0 H GLU A 43 -2.141 -6.169 -19.016 1.00 33.41 H new ATOM 0 HA GLU A 43 -0.140 -8.122 -18.860 1.00 11.21 H new ATOM 0 HB2 GLU A 43 -0.078 -5.262 -19.929 1.00 21.11 H new ATOM 0 HB3 GLU A 43 1.163 -6.456 -20.250 1.00 21.11 H new ATOM 0 HG2 GLU A 43 -0.488 -7.885 -21.412 1.00 33.10 H new ATOM 0 HG3 GLU A 43 -1.757 -6.730 -21.057 1.00 33.10 H new ATOM 747 N ARG A 44 0.405 -5.462 -16.995 1.00 23.33 N ATOM 748 CA ARG A 44 1.252 -4.890 -15.941 1.00 21.40 C ATOM 749 C ARG A 44 1.155 -5.688 -14.628 1.00 2.33 C ATOM 750 O ARG A 44 2.171 -5.999 -14.005 1.00 13.31 O ATOM 751 CB ARG A 44 0.861 -3.425 -15.696 1.00 12.45 C ATOM 752 CG ARG A 44 0.998 -2.529 -16.927 1.00 64.50 C ATOM 753 CD ARG A 44 2.449 -2.371 -17.369 1.00 65.01 C ATOM 754 NE ARG A 44 2.555 -1.674 -18.649 1.00 72.11 N ATOM 755 CZ ARG A 44 2.788 -0.396 -18.782 1.00 31.52 C ATOM 756 NH1 ARG A 44 2.909 0.370 -17.745 1.00 73.41 N ATOM 757 NH2 ARG A 44 2.887 0.123 -19.962 1.00 23.23 N ATOM 0 H ARG A 44 -0.440 -4.925 -17.188 1.00 23.33 H new ATOM 0 HA ARG A 44 2.286 -4.943 -16.281 1.00 21.40 H new ATOM 0 HB2 ARG A 44 -0.171 -3.389 -15.347 1.00 12.45 H new ATOM 0 HB3 ARG A 44 1.483 -3.023 -14.896 1.00 12.45 H new ATOM 0 HG2 ARG A 44 0.415 -2.949 -17.746 1.00 64.50 H new ATOM 0 HG3 ARG A 44 0.578 -1.547 -16.708 1.00 64.50 H new ATOM 0 HD2 ARG A 44 3.002 -1.820 -16.609 1.00 65.01 H new ATOM 0 HD3 ARG A 44 2.913 -3.354 -17.451 1.00 65.01 H new ATOM 0 HE ARG A 44 2.439 -2.225 -19.499 1.00 72.11 H new ATOM 0 HH11 ARG A 44 2.822 -0.023 -16.808 1.00 73.41 H new ATOM 0 HH12 ARG A 44 3.091 1.366 -17.865 1.00 73.41 H new ATOM 0 HH21 ARG A 44 2.783 -0.466 -20.788 1.00 23.23 H new ATOM 0 HH22 ARG A 44 3.069 1.121 -20.066 1.00 23.23 H new ATOM 771 N LEU A 45 -0.067 -6.018 -14.209 1.00 73.12 N ATOM 772 CA LEU A 45 -0.285 -6.732 -12.943 1.00 2.31 C ATOM 773 C LEU A 45 0.043 -8.231 -13.055 1.00 71.44 C ATOM 774 O LEU A 45 0.401 -8.869 -12.061 1.00 15.30 O ATOM 775 CB LEU A 45 -1.725 -6.512 -12.436 1.00 53.03 C ATOM 776 CG LEU A 45 -2.870 -6.874 -13.408 1.00 2.21 C ATOM 777 CD1 LEU A 45 -3.127 -8.377 -13.452 1.00 4.11 C ATOM 778 CD2 LEU A 45 -4.148 -6.127 -13.035 1.00 65.54 C ATOM 0 H LEU A 45 -0.921 -5.805 -14.724 1.00 73.12 H new ATOM 0 HA LEU A 45 0.406 -6.314 -12.211 1.00 2.31 H new ATOM 0 HB2 LEU A 45 -1.857 -7.095 -11.524 1.00 53.03 H new ATOM 0 HB3 LEU A 45 -1.832 -5.463 -12.162 1.00 53.03 H new ATOM 0 HG LEU A 45 -2.558 -6.565 -14.406 1.00 2.21 H new ATOM 0 HD11 LEU A 45 -3.940 -8.587 -14.148 1.00 4.11 H new ATOM 0 HD12 LEU A 45 -2.224 -8.891 -13.783 1.00 4.11 H new ATOM 0 HD13 LEU A 45 -3.401 -8.729 -12.457 1.00 4.11 H new ATOM 0 HD21 LEU A 45 -4.943 -6.395 -13.731 1.00 65.54 H new ATOM 0 HD22 LEU A 45 -4.446 -6.399 -12.022 1.00 65.54 H new ATOM 0 HD23 LEU A 45 -3.969 -5.053 -13.085 1.00 65.54 H new ATOM 790 N GLU A 46 -0.072 -8.785 -14.264 1.00 23.15 N ATOM 791 CA GLU A 46 0.260 -10.194 -14.507 1.00 70.10 C ATOM 792 C GLU A 46 1.674 -10.524 -14.011 1.00 22.21 C ATOM 793 O GLU A 46 1.903 -11.570 -13.398 1.00 4.22 O ATOM 794 CB GLU A 46 0.140 -10.526 -16.001 1.00 74.44 C ATOM 795 CG GLU A 46 0.567 -11.946 -16.354 1.00 73.31 C ATOM 796 CD GLU A 46 0.359 -12.269 -17.823 1.00 3.01 C ATOM 797 OE1 GLU A 46 1.256 -11.975 -18.638 1.00 64.43 O ATOM 798 OE2 GLU A 46 -0.704 -12.824 -18.169 1.00 11.05 O ATOM 0 H GLU A 46 -0.392 -8.281 -15.091 1.00 23.15 H new ATOM 0 HA GLU A 46 -0.451 -10.803 -13.949 1.00 70.10 H new ATOM 0 HB2 GLU A 46 -0.894 -10.380 -16.314 1.00 74.44 H new ATOM 0 HB3 GLU A 46 0.748 -9.822 -16.570 1.00 74.44 H new ATOM 0 HG2 GLU A 46 1.619 -12.079 -16.102 1.00 73.31 H new ATOM 0 HG3 GLU A 46 0.002 -12.653 -15.747 1.00 73.31 H new ATOM 805 N GLU A 47 2.611 -9.612 -14.273 1.00 53.44 N ATOM 806 CA GLU A 47 3.993 -9.755 -13.802 1.00 4.34 C ATOM 807 C GLU A 47 4.050 -10.024 -12.292 1.00 71.11 C ATOM 808 O GLU A 47 4.916 -10.752 -11.816 1.00 70.34 O ATOM 809 CB GLU A 47 4.802 -8.493 -14.135 1.00 55.34 C ATOM 810 CG GLU A 47 4.975 -8.244 -15.630 1.00 31.22 C ATOM 811 CD GLU A 47 5.746 -9.358 -16.326 1.00 2.04 C ATOM 812 OE1 GLU A 47 6.936 -9.559 -15.994 1.00 33.22 O ATOM 813 OE2 GLU A 47 5.170 -10.039 -17.205 1.00 53.44 O ATOM 0 H GLU A 47 2.439 -8.763 -14.811 1.00 53.44 H new ATOM 0 HA GLU A 47 4.428 -10.612 -14.316 1.00 4.34 H new ATOM 0 HB2 GLU A 47 4.310 -7.630 -13.688 1.00 55.34 H new ATOM 0 HB3 GLU A 47 5.786 -8.573 -13.674 1.00 55.34 H new ATOM 0 HG2 GLU A 47 3.994 -8.143 -16.093 1.00 31.22 H new ATOM 0 HG3 GLU A 47 5.497 -7.299 -15.779 1.00 31.22 H new ATOM 820 N PHE A 48 3.120 -9.440 -11.544 1.00 31.12 N ATOM 821 CA PHE A 48 3.071 -9.628 -10.092 1.00 35.21 C ATOM 822 C PHE A 48 2.305 -10.907 -9.714 1.00 74.34 C ATOM 823 O PHE A 48 2.702 -11.624 -8.794 1.00 35.34 O ATOM 824 CB PHE A 48 2.438 -8.403 -9.422 1.00 2.53 C ATOM 825 CG PHE A 48 3.208 -7.125 -9.662 1.00 52.44 C ATOM 826 CD1 PHE A 48 4.474 -6.954 -9.118 1.00 70.30 C ATOM 827 CD2 PHE A 48 2.669 -6.099 -10.426 1.00 41.02 C ATOM 828 CE1 PHE A 48 5.184 -5.790 -9.333 1.00 52.14 C ATOM 829 CE2 PHE A 48 3.377 -4.930 -10.643 1.00 20.31 C ATOM 830 CZ PHE A 48 4.636 -4.777 -10.094 1.00 41.42 C ATOM 0 H PHE A 48 2.389 -8.833 -11.915 1.00 31.12 H new ATOM 0 HA PHE A 48 4.094 -9.740 -9.733 1.00 35.21 H new ATOM 0 HB2 PHE A 48 1.420 -8.281 -9.792 1.00 2.53 H new ATOM 0 HB3 PHE A 48 2.368 -8.580 -8.349 1.00 2.53 H new ATOM 0 HD1 PHE A 48 4.908 -7.741 -8.520 1.00 70.30 H new ATOM 0 HD2 PHE A 48 1.685 -6.214 -10.856 1.00 41.02 H new ATOM 0 HE1 PHE A 48 6.169 -5.672 -8.906 1.00 52.14 H new ATOM 0 HE2 PHE A 48 2.947 -4.139 -11.240 1.00 20.31 H new ATOM 0 HZ PHE A 48 5.191 -3.865 -10.260 1.00 41.42 H new ATOM 840 N GLU A 49 1.221 -11.203 -10.433 1.00 63.52 N ATOM 841 CA GLU A 49 0.439 -12.424 -10.179 1.00 12.04 C ATOM 842 C GLU A 49 1.321 -13.678 -10.295 1.00 34.50 C ATOM 843 O GLU A 49 1.290 -14.561 -9.435 1.00 25.44 O ATOM 844 CB GLU A 49 -0.743 -12.539 -11.157 1.00 42.11 C ATOM 845 CG GLU A 49 -1.709 -11.357 -11.121 1.00 33.52 C ATOM 846 CD GLU A 49 -3.008 -11.641 -11.870 1.00 32.22 C ATOM 847 OE1 GLU A 49 -2.969 -11.777 -13.110 1.00 30.50 O ATOM 848 OE2 GLU A 49 -4.070 -11.749 -11.214 1.00 71.21 O ATOM 0 H GLU A 49 0.863 -10.622 -11.191 1.00 63.52 H new ATOM 0 HA GLU A 49 0.052 -12.354 -9.162 1.00 12.04 H new ATOM 0 HB2 GLU A 49 -0.352 -12.643 -12.169 1.00 42.11 H new ATOM 0 HB3 GLU A 49 -1.296 -13.451 -10.934 1.00 42.11 H new ATOM 0 HG2 GLU A 49 -1.938 -11.110 -10.084 1.00 33.52 H new ATOM 0 HG3 GLU A 49 -1.225 -10.483 -11.557 1.00 33.52 H new ATOM 855 N LYS A 50 2.123 -13.732 -11.360 1.00 1.21 N ATOM 856 CA LYS A 50 3.024 -14.867 -11.614 1.00 62.21 C ATOM 857 C LYS A 50 4.147 -14.960 -10.558 1.00 51.44 C ATOM 858 O LYS A 50 4.832 -15.982 -10.458 1.00 71.52 O ATOM 859 CB LYS A 50 3.617 -14.751 -13.031 1.00 61.30 C ATOM 860 CG LYS A 50 4.445 -13.488 -13.252 1.00 30.01 C ATOM 861 CD LYS A 50 4.708 -13.204 -14.733 1.00 63.11 C ATOM 862 CE LYS A 50 5.495 -14.316 -15.416 1.00 24.42 C ATOM 863 NZ LYS A 50 5.861 -13.945 -16.810 1.00 4.41 N ATOM 0 H LYS A 50 2.169 -12.999 -12.068 1.00 1.21 H new ATOM 0 HA LYS A 50 2.441 -15.785 -11.540 1.00 62.21 H new ATOM 0 HB2 LYS A 50 4.242 -15.622 -13.225 1.00 61.30 H new ATOM 0 HB3 LYS A 50 2.805 -14.773 -13.757 1.00 61.30 H new ATOM 0 HG2 LYS A 50 3.927 -12.637 -12.810 1.00 30.01 H new ATOM 0 HG3 LYS A 50 5.397 -13.587 -12.731 1.00 30.01 H new ATOM 0 HD2 LYS A 50 3.756 -13.070 -15.247 1.00 63.11 H new ATOM 0 HD3 LYS A 50 5.256 -12.267 -14.827 1.00 63.11 H new ATOM 0 HE2 LYS A 50 6.399 -14.528 -14.845 1.00 24.42 H new ATOM 0 HE3 LYS A 50 4.902 -15.231 -15.425 1.00 24.42 H new ATOM 0 HZ1 LYS A 50 6.396 -14.723 -17.247 1.00 4.41 H new ATOM 0 HZ2 LYS A 50 4.997 -13.767 -17.360 1.00 4.41 H new ATOM 0 HZ3 LYS A 50 6.447 -13.086 -16.798 1.00 4.41 H new ATOM 877 N GLN A 51 4.335 -13.890 -9.778 1.00 33.32 N ATOM 878 CA GLN A 51 5.337 -13.873 -8.697 1.00 44.41 C ATOM 879 C GLN A 51 4.725 -14.252 -7.332 1.00 12.30 C ATOM 880 O GLN A 51 5.400 -14.182 -6.302 1.00 75.10 O ATOM 881 CB GLN A 51 6.003 -12.492 -8.600 1.00 75.14 C ATOM 882 CG GLN A 51 6.879 -12.141 -9.799 1.00 42.14 C ATOM 883 CD GLN A 51 7.537 -10.778 -9.665 1.00 14.52 C ATOM 884 OE1 GLN A 51 8.628 -10.651 -9.120 1.00 2.10 O ATOM 885 NE2 GLN A 51 6.881 -9.750 -10.165 1.00 63.52 N ATOM 0 H GLN A 51 3.808 -13.022 -9.872 1.00 33.32 H new ATOM 0 HA GLN A 51 6.088 -14.623 -8.947 1.00 44.41 H new ATOM 0 HB2 GLN A 51 5.228 -11.733 -8.494 1.00 75.14 H new ATOM 0 HB3 GLN A 51 6.611 -12.455 -7.696 1.00 75.14 H new ATOM 0 HG2 GLN A 51 7.650 -12.902 -9.916 1.00 42.14 H new ATOM 0 HG3 GLN A 51 6.273 -12.160 -10.705 1.00 42.14 H new ATOM 0 HE21 GLN A 51 5.975 -9.892 -10.612 1.00 63.52 H new ATOM 0 HE22 GLN A 51 7.279 -8.813 -10.105 1.00 63.52 H new ATOM 894 N GLY A 52 3.455 -14.656 -7.330 1.00 54.23 N ATOM 895 CA GLY A 52 2.788 -15.050 -6.089 1.00 61.23 C ATOM 896 C GLY A 52 2.305 -13.865 -5.257 1.00 34.11 C ATOM 897 O GLY A 52 2.490 -13.827 -4.038 1.00 51.02 O ATOM 0 H GLY A 52 2.872 -14.719 -8.165 1.00 54.23 H new ATOM 0 HA2 GLY A 52 1.937 -15.687 -6.329 1.00 61.23 H new ATOM 0 HA3 GLY A 52 3.475 -15.649 -5.491 1.00 61.23 H new ATOM 901 N VAL A 53 1.676 -12.892 -5.915 1.00 12.41 N ATOM 902 CA VAL A 53 1.198 -11.680 -5.239 1.00 12.12 C ATOM 903 C VAL A 53 -0.335 -11.556 -5.294 1.00 51.11 C ATOM 904 O VAL A 53 -0.955 -11.774 -6.338 1.00 63.33 O ATOM 905 CB VAL A 53 1.838 -10.415 -5.863 1.00 53.12 C ATOM 906 CG1 VAL A 53 1.382 -9.150 -5.135 1.00 64.12 C ATOM 907 CG2 VAL A 53 3.362 -10.530 -5.857 1.00 24.14 C ATOM 0 H VAL A 53 1.484 -12.917 -6.916 1.00 12.41 H new ATOM 0 HA VAL A 53 1.497 -11.763 -4.194 1.00 12.12 H new ATOM 0 HB VAL A 53 1.503 -10.339 -6.898 1.00 53.12 H new ATOM 0 HG11 VAL A 53 1.847 -8.278 -5.595 1.00 64.12 H new ATOM 0 HG12 VAL A 53 0.298 -9.061 -5.204 1.00 64.12 H new ATOM 0 HG13 VAL A 53 1.676 -9.208 -4.087 1.00 64.12 H new ATOM 0 HG21 VAL A 53 3.796 -9.633 -6.299 1.00 24.14 H new ATOM 0 HG22 VAL A 53 3.715 -10.637 -4.831 1.00 24.14 H new ATOM 0 HG23 VAL A 53 3.663 -11.402 -6.437 1.00 24.14 H new ATOM 917 N ASP A 54 -0.937 -11.201 -4.158 1.00 60.41 N ATOM 918 CA ASP A 54 -2.384 -10.987 -4.069 1.00 60.43 C ATOM 919 C ASP A 54 -2.789 -9.677 -4.767 1.00 21.23 C ATOM 920 O ASP A 54 -2.904 -8.630 -4.129 1.00 3.43 O ATOM 921 CB ASP A 54 -2.814 -10.949 -2.598 1.00 35.15 C ATOM 922 CG ASP A 54 -2.544 -12.252 -1.873 1.00 71.52 C ATOM 923 OD1 ASP A 54 -1.356 -12.604 -1.678 1.00 71.14 O ATOM 924 OD2 ASP A 54 -3.516 -12.934 -1.488 1.00 62.12 O ATOM 0 H ASP A 54 -0.441 -11.054 -3.279 1.00 60.41 H new ATOM 0 HA ASP A 54 -2.886 -11.813 -4.573 1.00 60.43 H new ATOM 0 HB2 ASP A 54 -2.287 -10.141 -2.091 1.00 35.15 H new ATOM 0 HB3 ASP A 54 -3.878 -10.721 -2.541 1.00 35.15 H new ATOM 929 N VAL A 55 -2.983 -9.732 -6.081 1.00 50.25 N ATOM 930 CA VAL A 55 -3.296 -8.529 -6.858 1.00 31.04 C ATOM 931 C VAL A 55 -4.804 -8.362 -7.103 1.00 32.51 C ATOM 932 O VAL A 55 -5.452 -9.216 -7.707 1.00 1.33 O ATOM 933 CB VAL A 55 -2.564 -8.526 -8.221 1.00 64.44 C ATOM 934 CG1 VAL A 55 -2.810 -7.210 -8.958 1.00 54.45 C ATOM 935 CG2 VAL A 55 -1.067 -8.779 -8.040 1.00 4.42 C ATOM 0 H VAL A 55 -2.930 -10.589 -6.631 1.00 50.25 H new ATOM 0 HA VAL A 55 -2.948 -7.690 -6.255 1.00 31.04 H new ATOM 0 HB VAL A 55 -2.968 -9.338 -8.826 1.00 64.44 H new ATOM 0 HG11 VAL A 55 -2.288 -7.226 -9.915 1.00 54.45 H new ATOM 0 HG12 VAL A 55 -3.879 -7.084 -9.130 1.00 54.45 H new ATOM 0 HG13 VAL A 55 -2.439 -6.381 -8.356 1.00 54.45 H new ATOM 0 HG21 VAL A 55 -0.576 -8.772 -9.013 1.00 4.42 H new ATOM 0 HG22 VAL A 55 -0.639 -7.997 -7.412 1.00 4.42 H new ATOM 0 HG23 VAL A 55 -0.917 -9.749 -7.565 1.00 4.42 H new ATOM 945 N ARG A 56 -5.353 -7.252 -6.615 1.00 1.52 N ATOM 946 CA ARG A 56 -6.746 -6.878 -6.879 1.00 73.15 C ATOM 947 C ARG A 56 -6.794 -5.597 -7.735 1.00 12.02 C ATOM 948 O ARG A 56 -5.995 -4.683 -7.533 1.00 54.54 O ATOM 949 CB ARG A 56 -7.514 -6.635 -5.565 1.00 71.35 C ATOM 950 CG ARG A 56 -7.691 -7.857 -4.651 1.00 2.55 C ATOM 951 CD ARG A 56 -6.374 -8.341 -4.045 1.00 53.42 C ATOM 952 NE ARG A 56 -6.577 -9.094 -2.803 1.00 51.13 N ATOM 953 CZ ARG A 56 -6.263 -10.352 -2.637 1.00 42.32 C ATOM 954 NH1 ARG A 56 -5.893 -11.084 -3.638 1.00 50.14 N ATOM 955 NH2 ARG A 56 -6.366 -10.889 -1.465 1.00 62.44 N ATOM 0 H ARG A 56 -4.850 -6.587 -6.028 1.00 1.52 H new ATOM 0 HA ARG A 56 -7.218 -7.702 -7.415 1.00 73.15 H new ATOM 0 HB2 ARG A 56 -6.996 -5.858 -5.003 1.00 71.35 H new ATOM 0 HB3 ARG A 56 -8.501 -6.245 -5.812 1.00 71.35 H new ATOM 0 HG2 ARG A 56 -8.384 -7.607 -3.848 1.00 2.55 H new ATOM 0 HG3 ARG A 56 -8.143 -8.669 -5.221 1.00 2.55 H new ATOM 0 HD2 ARG A 56 -5.853 -8.970 -4.767 1.00 53.42 H new ATOM 0 HD3 ARG A 56 -5.731 -7.484 -3.847 1.00 53.42 H new ATOM 0 HE ARG A 56 -6.993 -8.601 -2.013 1.00 51.13 H new ATOM 0 HH11 ARG A 56 -5.843 -10.681 -4.574 1.00 50.14 H new ATOM 0 HH12 ARG A 56 -5.651 -12.064 -3.491 1.00 50.14 H new ATOM 0 HH21 ARG A 56 -6.691 -10.331 -0.675 1.00 62.44 H new ATOM 0 HH22 ARG A 56 -6.122 -11.870 -1.330 1.00 62.44 H new ATOM 969 N THR A 57 -7.720 -5.528 -8.688 1.00 22.13 N ATOM 970 CA THR A 57 -7.860 -4.335 -9.541 1.00 24.12 C ATOM 971 C THR A 57 -8.839 -3.320 -8.949 1.00 14.32 C ATOM 972 O THR A 57 -10.001 -3.638 -8.708 1.00 5.54 O ATOM 973 CB THR A 57 -8.339 -4.701 -10.966 1.00 52.03 C ATOM 974 OG1 THR A 57 -9.560 -5.458 -10.908 1.00 32.44 O ATOM 975 CG2 THR A 57 -7.274 -5.500 -11.704 1.00 52.10 C ATOM 0 H THR A 57 -8.384 -6.275 -8.894 1.00 22.13 H new ATOM 0 HA THR A 57 -6.866 -3.890 -9.593 1.00 24.12 H new ATOM 0 HB THR A 57 -8.521 -3.773 -11.509 1.00 52.03 H new ATOM 0 HG1 THR A 57 -10.081 -5.180 -10.126 1.00 32.44 H new ATOM 0 HG21 THR A 57 -7.632 -5.747 -12.704 1.00 52.10 H new ATOM 0 HG22 THR A 57 -6.362 -4.907 -11.781 1.00 52.10 H new ATOM 0 HG23 THR A 57 -7.064 -6.419 -11.157 1.00 52.10 H new ATOM 983 N VAL A 58 -8.367 -2.094 -8.730 1.00 61.51 N ATOM 984 CA VAL A 58 -9.225 -1.012 -8.219 1.00 32.20 C ATOM 985 C VAL A 58 -9.490 0.070 -9.276 1.00 54.42 C ATOM 986 O VAL A 58 -8.615 0.419 -10.073 1.00 52.14 O ATOM 987 CB VAL A 58 -8.654 -0.352 -6.933 1.00 43.33 C ATOM 988 CG1 VAL A 58 -9.144 -1.089 -5.688 1.00 60.01 C ATOM 989 CG2 VAL A 58 -7.127 -0.301 -6.968 1.00 13.51 C ATOM 0 H VAL A 58 -7.399 -1.820 -8.896 1.00 61.51 H new ATOM 0 HA VAL A 58 -10.171 -1.492 -7.966 1.00 32.20 H new ATOM 0 HB VAL A 58 -9.019 0.674 -6.892 1.00 43.33 H new ATOM 0 HG11 VAL A 58 -8.734 -0.612 -4.798 1.00 60.01 H new ATOM 0 HG12 VAL A 58 -10.233 -1.054 -5.649 1.00 60.01 H new ATOM 0 HG13 VAL A 58 -8.816 -2.128 -5.727 1.00 60.01 H new ATOM 0 HG21 VAL A 58 -6.758 0.166 -6.055 1.00 13.51 H new ATOM 0 HG22 VAL A 58 -6.731 -1.314 -7.044 1.00 13.51 H new ATOM 0 HG23 VAL A 58 -6.802 0.281 -7.830 1.00 13.51 H new ATOM 999 N GLU A 59 -10.716 0.588 -9.265 1.00 50.12 N ATOM 1000 CA GLU A 59 -11.155 1.614 -10.223 1.00 71.20 C ATOM 1001 C GLU A 59 -11.420 2.973 -9.547 1.00 25.33 C ATOM 1002 O GLU A 59 -11.088 4.023 -10.096 1.00 40.04 O ATOM 1003 CB GLU A 59 -12.422 1.122 -10.941 1.00 61.14 C ATOM 1004 CG GLU A 59 -13.533 0.682 -9.989 1.00 23.31 C ATOM 1005 CD GLU A 59 -14.687 -0.008 -10.694 1.00 5.32 C ATOM 1006 OE1 GLU A 59 -14.478 -1.110 -11.241 1.00 24.24 O ATOM 1007 OE2 GLU A 59 -15.806 0.541 -10.709 1.00 35.13 O ATOM 0 H GLU A 59 -11.435 0.313 -8.596 1.00 50.12 H new ATOM 0 HA GLU A 59 -10.350 1.770 -10.941 1.00 71.20 H new ATOM 0 HB2 GLU A 59 -12.799 1.919 -11.582 1.00 61.14 H new ATOM 0 HB3 GLU A 59 -12.160 0.287 -11.591 1.00 61.14 H new ATOM 0 HG2 GLU A 59 -13.116 0.006 -9.242 1.00 23.31 H new ATOM 0 HG3 GLU A 59 -13.911 1.554 -9.455 1.00 23.31 H new ATOM 1014 N ASP A 60 -12.014 2.947 -8.353 1.00 55.54 N ATOM 1015 CA ASP A 60 -12.397 4.176 -7.645 1.00 21.12 C ATOM 1016 C ASP A 60 -12.264 4.014 -6.118 1.00 35.15 C ATOM 1017 O ASP A 60 -12.062 2.910 -5.621 1.00 13.13 O ATOM 1018 CB ASP A 60 -13.837 4.560 -8.023 1.00 24.15 C ATOM 1019 CG ASP A 60 -14.351 5.759 -7.247 1.00 22.24 C ATOM 1020 OD1 ASP A 60 -13.815 6.870 -7.440 1.00 54.54 O ATOM 1021 OD2 ASP A 60 -15.257 5.584 -6.402 1.00 62.35 O ATOM 0 H ASP A 60 -12.242 2.088 -7.853 1.00 55.54 H new ATOM 0 HA ASP A 60 -11.718 4.973 -7.948 1.00 21.12 H new ATOM 0 HB2 ASP A 60 -13.881 4.778 -9.090 1.00 24.15 H new ATOM 0 HB3 ASP A 60 -14.494 3.709 -7.844 1.00 24.15 H new ATOM 1026 N LYS A 61 -12.386 5.126 -5.392 1.00 54.22 N ATOM 1027 CA LYS A 61 -12.265 5.153 -3.924 1.00 42.34 C ATOM 1028 C LYS A 61 -13.174 4.113 -3.239 1.00 31.14 C ATOM 1029 O LYS A 61 -12.717 3.333 -2.404 1.00 23.05 O ATOM 1030 CB LYS A 61 -12.609 6.560 -3.418 1.00 2.42 C ATOM 1031 CG LYS A 61 -11.775 7.655 -4.074 1.00 22.33 C ATOM 1032 CD LYS A 61 -12.377 9.040 -3.855 1.00 12.41 C ATOM 1033 CE LYS A 61 -11.634 10.105 -4.653 1.00 21.23 C ATOM 1034 NZ LYS A 61 -12.278 11.441 -4.547 1.00 34.40 N ATOM 0 H LYS A 61 -12.573 6.041 -5.803 1.00 54.22 H new ATOM 0 HA LYS A 61 -11.237 4.896 -3.669 1.00 42.34 H new ATOM 0 HB2 LYS A 61 -13.665 6.757 -3.602 1.00 2.42 H new ATOM 0 HB3 LYS A 61 -12.461 6.597 -2.339 1.00 2.42 H new ATOM 0 HG2 LYS A 61 -10.763 7.631 -3.670 1.00 22.33 H new ATOM 0 HG3 LYS A 61 -11.696 7.459 -5.143 1.00 22.33 H new ATOM 0 HD2 LYS A 61 -13.427 9.032 -4.147 1.00 12.41 H new ATOM 0 HD3 LYS A 61 -12.343 9.289 -2.794 1.00 12.41 H new ATOM 0 HE2 LYS A 61 -10.606 10.171 -4.298 1.00 21.23 H new ATOM 0 HE3 LYS A 61 -11.591 9.807 -5.701 1.00 21.23 H new ATOM 0 HZ1 LYS A 61 -11.799 12.109 -5.185 1.00 34.40 H new ATOM 0 HZ2 LYS A 61 -13.280 11.365 -4.814 1.00 34.40 H new ATOM 0 HZ3 LYS A 61 -12.206 11.785 -3.568 1.00 34.40 H new ATOM 1048 N GLU A 62 -14.456 4.094 -3.598 1.00 35.03 N ATOM 1049 CA GLU A 62 -15.400 3.134 -3.000 1.00 22.41 C ATOM 1050 C GLU A 62 -15.040 1.682 -3.354 1.00 13.13 C ATOM 1051 O GLU A 62 -15.253 0.772 -2.558 1.00 40.04 O ATOM 1052 CB GLU A 62 -16.842 3.435 -3.421 1.00 2.53 C ATOM 1053 CG GLU A 62 -17.429 4.677 -2.760 1.00 33.20 C ATOM 1054 CD GLU A 62 -18.886 4.901 -3.127 1.00 41.25 C ATOM 1055 OE1 GLU A 62 -19.769 4.241 -2.535 1.00 74.33 O ATOM 1056 OE2 GLU A 62 -19.157 5.729 -4.020 1.00 73.41 O ATOM 0 H GLU A 62 -14.867 4.721 -4.290 1.00 35.03 H new ATOM 0 HA GLU A 62 -15.321 3.248 -1.919 1.00 22.41 H new ATOM 0 HB2 GLU A 62 -16.876 3.560 -4.503 1.00 2.53 H new ATOM 0 HB3 GLU A 62 -17.468 2.576 -3.180 1.00 2.53 H new ATOM 0 HG2 GLU A 62 -17.341 4.584 -1.678 1.00 33.20 H new ATOM 0 HG3 GLU A 62 -16.846 5.550 -3.053 1.00 33.20 H new ATOM 1063 N ASP A 63 -14.483 1.469 -4.540 1.00 2.55 N ATOM 1064 CA ASP A 63 -14.028 0.143 -4.950 1.00 62.43 C ATOM 1065 C ASP A 63 -12.721 -0.204 -4.213 1.00 10.15 C ATOM 1066 O ASP A 63 -12.454 -1.361 -3.884 1.00 73.00 O ATOM 1067 CB ASP A 63 -13.840 0.130 -6.470 1.00 4.03 C ATOM 1068 CG ASP A 63 -13.355 -1.204 -7.000 1.00 32.41 C ATOM 1069 OD1 ASP A 63 -14.159 -2.154 -7.079 1.00 12.20 O ATOM 1070 OD2 ASP A 63 -12.173 -1.298 -7.361 1.00 40.44 O ATOM 0 H ASP A 63 -14.335 2.198 -5.237 1.00 2.55 H new ATOM 0 HA ASP A 63 -14.768 -0.613 -4.688 1.00 62.43 H new ATOM 0 HB2 ASP A 63 -14.786 0.382 -6.949 1.00 4.03 H new ATOM 0 HB3 ASP A 63 -13.126 0.905 -6.748 1.00 4.03 H new ATOM 1075 N PHE A 64 -11.938 0.832 -3.929 1.00 64.02 N ATOM 1076 CA PHE A 64 -10.695 0.714 -3.167 1.00 3.05 C ATOM 1077 C PHE A 64 -10.967 0.200 -1.744 1.00 65.23 C ATOM 1078 O PHE A 64 -10.382 -0.797 -1.308 1.00 14.41 O ATOM 1079 CB PHE A 64 -9.998 2.086 -3.142 1.00 51.53 C ATOM 1080 CG PHE A 64 -8.749 2.155 -2.299 1.00 32.03 C ATOM 1081 CD1 PHE A 64 -7.658 1.348 -2.579 1.00 72.43 C ATOM 1082 CD2 PHE A 64 -8.668 3.035 -1.226 1.00 21.45 C ATOM 1083 CE1 PHE A 64 -6.514 1.418 -1.809 1.00 23.10 C ATOM 1084 CE2 PHE A 64 -7.525 3.108 -0.456 1.00 5.21 C ATOM 1085 CZ PHE A 64 -6.446 2.297 -0.746 1.00 63.23 C ATOM 0 H PHE A 64 -12.148 1.786 -4.223 1.00 64.02 H new ATOM 0 HA PHE A 64 -10.040 -0.013 -3.647 1.00 3.05 H new ATOM 0 HB2 PHE A 64 -9.743 2.365 -4.164 1.00 51.53 H new ATOM 0 HB3 PHE A 64 -10.706 2.829 -2.776 1.00 51.53 H new ATOM 0 HD1 PHE A 64 -7.703 0.657 -3.408 1.00 72.43 H new ATOM 0 HD2 PHE A 64 -9.510 3.670 -0.992 1.00 21.45 H new ATOM 0 HE1 PHE A 64 -5.670 0.784 -2.039 1.00 23.10 H new ATOM 0 HE2 PHE A 64 -7.475 3.799 0.373 1.00 5.21 H new ATOM 0 HZ PHE A 64 -5.551 2.350 -0.143 1.00 63.23 H new ATOM 1095 N ARG A 65 -11.875 0.868 -1.035 1.00 71.54 N ATOM 1096 CA ARG A 65 -12.231 0.467 0.331 1.00 45.22 C ATOM 1097 C ARG A 65 -12.839 -0.945 0.383 1.00 31.21 C ATOM 1098 O ARG A 65 -12.608 -1.681 1.339 1.00 51.42 O ATOM 1099 CB ARG A 65 -13.190 1.476 0.969 1.00 51.10 C ATOM 1100 CG ARG A 65 -14.507 1.651 0.229 1.00 5.31 C ATOM 1101 CD ARG A 65 -15.442 2.597 0.968 1.00 42.33 C ATOM 1102 NE ARG A 65 -14.817 3.891 1.228 1.00 25.35 N ATOM 1103 CZ ARG A 65 -15.341 4.817 1.977 1.00 71.13 C ATOM 1104 NH1 ARG A 65 -16.490 4.636 2.546 1.00 53.45 N ATOM 1105 NH2 ARG A 65 -14.705 5.926 2.159 1.00 22.51 N ATOM 0 H ARG A 65 -12.377 1.686 -1.379 1.00 71.54 H new ATOM 0 HA ARG A 65 -11.303 0.450 0.903 1.00 45.22 H new ATOM 0 HB2 ARG A 65 -13.401 1.161 1.991 1.00 51.10 H new ATOM 0 HB3 ARG A 65 -12.691 2.443 1.030 1.00 51.10 H new ATOM 0 HG2 ARG A 65 -14.314 2.037 -0.772 1.00 5.31 H new ATOM 0 HG3 ARG A 65 -14.990 0.681 0.109 1.00 5.31 H new ATOM 0 HD2 ARG A 65 -16.348 2.744 0.380 1.00 42.33 H new ATOM 0 HD3 ARG A 65 -15.744 2.144 1.912 1.00 42.33 H new ATOM 0 HE ARG A 65 -13.913 4.081 0.795 1.00 25.35 H new ATOM 0 HH11 ARG A 65 -16.994 3.760 2.409 1.00 53.45 H new ATOM 0 HH12 ARG A 65 -16.891 5.369 3.131 1.00 53.45 H new ATOM 0 HH21 ARG A 65 -13.798 6.072 1.717 1.00 22.51 H new ATOM 0 HH22 ARG A 65 -15.110 6.656 2.745 1.00 22.51 H new ATOM 1119 N GLU A 66 -13.608 -1.327 -0.641 1.00 21.02 N ATOM 1120 CA GLU A 66 -14.168 -2.686 -0.711 1.00 22.45 C ATOM 1121 C GLU A 66 -13.054 -3.745 -0.656 1.00 1.53 C ATOM 1122 O GLU A 66 -13.156 -4.735 0.074 1.00 61.42 O ATOM 1123 CB GLU A 66 -15.012 -2.874 -1.983 1.00 52.15 C ATOM 1124 CG GLU A 66 -16.302 -2.057 -2.007 1.00 3.43 C ATOM 1125 CD GLU A 66 -17.231 -2.380 -0.844 1.00 75.44 C ATOM 1126 OE1 GLU A 66 -17.705 -3.531 -0.758 1.00 14.42 O ATOM 1127 OE2 GLU A 66 -17.503 -1.481 -0.022 1.00 51.11 O ATOM 0 H GLU A 66 -13.857 -0.725 -1.426 1.00 21.02 H new ATOM 0 HA GLU A 66 -14.816 -2.817 0.156 1.00 22.45 H new ATOM 0 HB2 GLU A 66 -14.408 -2.603 -2.849 1.00 52.15 H new ATOM 0 HB3 GLU A 66 -15.262 -3.930 -2.086 1.00 52.15 H new ATOM 0 HG2 GLU A 66 -16.054 -0.996 -1.983 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -16.825 -2.241 -2.945 1.00 3.43 H new ATOM 1134 N ASN A 67 -11.984 -3.521 -1.418 1.00 65.10 N ATOM 1135 CA ASN A 67 -10.824 -4.420 -1.405 1.00 15.31 C ATOM 1136 C ASN A 67 -10.106 -4.403 -0.044 1.00 0.20 C ATOM 1137 O ASN A 67 -9.589 -5.428 0.407 1.00 61.12 O ATOM 1138 CB ASN A 67 -9.851 -4.056 -2.532 1.00 74.34 C ATOM 1139 CG ASN A 67 -10.370 -4.493 -3.889 1.00 65.02 C ATOM 1140 OD1 ASN A 67 -10.128 -5.612 -4.320 1.00 70.01 O ATOM 1141 ND2 ASN A 67 -11.087 -3.626 -4.571 1.00 73.32 N ATOM 0 H ASN A 67 -11.894 -2.727 -2.052 1.00 65.10 H new ATOM 0 HA ASN A 67 -11.190 -5.433 -1.570 1.00 15.31 H new ATOM 0 HB2 ASN A 67 -9.686 -2.979 -2.536 1.00 74.34 H new ATOM 0 HB3 ASN A 67 -8.885 -4.525 -2.344 1.00 74.34 H new ATOM 0 HD21 ASN A 67 -11.458 -3.879 -5.487 1.00 73.32 H new ATOM 0 HD22 ASN A 67 -11.271 -2.700 -4.184 1.00 73.32 H new ATOM 1148 N ILE A 68 -10.076 -3.238 0.604 1.00 13.25 N ATOM 1149 CA ILE A 68 -9.542 -3.121 1.968 1.00 13.20 C ATOM 1150 C ILE A 68 -10.400 -3.935 2.952 1.00 22.20 C ATOM 1151 O ILE A 68 -9.886 -4.642 3.818 1.00 11.21 O ATOM 1152 CB ILE A 68 -9.503 -1.643 2.432 1.00 51.34 C ATOM 1153 CG1 ILE A 68 -8.719 -0.784 1.431 1.00 51.25 C ATOM 1154 CG2 ILE A 68 -8.891 -1.526 3.828 1.00 23.02 C ATOM 1155 CD1 ILE A 68 -8.777 0.699 1.732 1.00 1.22 C ATOM 0 H ILE A 68 -10.414 -2.360 0.209 1.00 13.25 H new ATOM 0 HA ILE A 68 -8.525 -3.513 1.956 1.00 13.20 H new ATOM 0 HB ILE A 68 -10.528 -1.276 2.477 1.00 51.34 H new ATOM 0 HG12 ILE A 68 -7.677 -1.105 1.426 1.00 51.25 H new ATOM 0 HG13 ILE A 68 -9.111 -0.959 0.429 1.00 51.25 H new ATOM 0 HG21 ILE A 68 -8.875 -0.479 4.132 1.00 23.02 H new ATOM 0 HG22 ILE A 68 -9.488 -2.100 4.536 1.00 23.02 H new ATOM 0 HG23 ILE A 68 -7.873 -1.915 3.813 1.00 23.02 H new ATOM 0 HD11 ILE A 68 -8.201 1.245 0.984 1.00 1.22 H new ATOM 0 HD12 ILE A 68 -9.814 1.035 1.708 1.00 1.22 H new ATOM 0 HD13 ILE A 68 -8.358 0.886 2.721 1.00 1.22 H new ATOM 1167 N ARG A 69 -11.716 -3.835 2.794 1.00 51.45 N ATOM 1168 CA ARG A 69 -12.671 -4.594 3.607 1.00 72.21 C ATOM 1169 C ARG A 69 -12.493 -6.107 3.412 1.00 15.41 C ATOM 1170 O ARG A 69 -12.679 -6.888 4.347 1.00 54.44 O ATOM 1171 CB ARG A 69 -14.097 -4.146 3.264 1.00 40.12 C ATOM 1172 CG ARG A 69 -14.419 -2.734 3.760 1.00 52.35 C ATOM 1173 CD ARG A 69 -15.540 -2.075 2.961 1.00 4.54 C ATOM 1174 NE ARG A 69 -16.719 -2.928 2.842 1.00 61.51 N ATOM 1175 CZ ARG A 69 -17.945 -2.507 2.997 1.00 34.30 C ATOM 1176 NH1 ARG A 69 -18.184 -1.308 3.429 1.00 2.23 N ATOM 1177 NH2 ARG A 69 -18.935 -3.299 2.748 1.00 4.42 N ATOM 0 H ARG A 69 -12.154 -3.228 2.101 1.00 51.45 H new ATOM 0 HA ARG A 69 -12.482 -4.390 4.661 1.00 72.21 H new ATOM 0 HB2 ARG A 69 -14.233 -4.185 2.183 1.00 40.12 H new ATOM 0 HB3 ARG A 69 -14.807 -4.849 3.700 1.00 40.12 H new ATOM 0 HG2 ARG A 69 -14.704 -2.778 4.811 1.00 52.35 H new ATOM 0 HG3 ARG A 69 -13.522 -2.117 3.698 1.00 52.35 H new ATOM 0 HD2 ARG A 69 -15.821 -1.138 3.441 1.00 4.54 H new ATOM 0 HD3 ARG A 69 -15.174 -1.826 1.965 1.00 4.54 H new ATOM 0 HE ARG A 69 -16.576 -3.914 2.624 1.00 61.51 H new ATOM 0 HH11 ARG A 69 -17.410 -0.682 3.652 1.00 2.23 H new ATOM 0 HH12 ARG A 69 -19.146 -0.990 3.546 1.00 2.23 H new ATOM 0 HH21 ARG A 69 -18.758 -4.252 2.431 1.00 4.42 H new ATOM 0 HH22 ARG A 69 -19.893 -2.971 2.869 1.00 4.42 H new ATOM 1191 N GLU A 70 -12.114 -6.513 2.200 1.00 55.20 N ATOM 1192 CA GLU A 70 -11.744 -7.909 1.939 1.00 53.10 C ATOM 1193 C GLU A 70 -10.551 -8.327 2.818 1.00 55.22 C ATOM 1194 O GLU A 70 -10.479 -9.458 3.287 1.00 11.52 O ATOM 1195 CB GLU A 70 -11.392 -8.110 0.455 1.00 43.02 C ATOM 1196 CG GLU A 70 -12.546 -7.841 -0.508 1.00 25.32 C ATOM 1197 CD GLU A 70 -13.662 -8.871 -0.412 1.00 21.21 C ATOM 1198 OE1 GLU A 70 -14.514 -8.757 0.497 1.00 72.53 O ATOM 1199 OE2 GLU A 70 -13.701 -9.796 -1.251 1.00 31.24 O ATOM 0 H GLU A 70 -12.054 -5.901 1.386 1.00 55.20 H new ATOM 0 HA GLU A 70 -12.601 -8.535 2.185 1.00 53.10 H new ATOM 0 HB2 GLU A 70 -10.560 -7.453 0.199 1.00 43.02 H new ATOM 0 HB3 GLU A 70 -11.046 -9.134 0.311 1.00 43.02 H new ATOM 0 HG2 GLU A 70 -12.956 -6.851 -0.306 1.00 25.32 H new ATOM 0 HG3 GLU A 70 -12.163 -7.825 -1.528 1.00 25.32 H new ATOM 1206 N ILE A 71 -9.621 -7.397 3.037 1.00 34.24 N ATOM 1207 CA ILE A 71 -8.460 -7.641 3.903 1.00 2.11 C ATOM 1208 C ILE A 71 -8.887 -7.822 5.369 1.00 13.24 C ATOM 1209 O ILE A 71 -8.435 -8.747 6.043 1.00 44.43 O ATOM 1210 CB ILE A 71 -7.437 -6.479 3.804 1.00 14.05 C ATOM 1211 CG1 ILE A 71 -6.953 -6.316 2.353 1.00 50.14 C ATOM 1212 CG2 ILE A 71 -6.255 -6.708 4.749 1.00 5.43 C ATOM 1213 CD1 ILE A 71 -6.066 -5.106 2.134 1.00 33.42 C ATOM 0 H ILE A 71 -9.647 -6.464 2.626 1.00 34.24 H new ATOM 0 HA ILE A 71 -7.989 -8.561 3.557 1.00 2.11 H new ATOM 0 HB ILE A 71 -7.934 -5.558 4.109 1.00 14.05 H new ATOM 0 HG12 ILE A 71 -6.407 -7.213 2.060 1.00 50.14 H new ATOM 0 HG13 ILE A 71 -7.820 -6.242 1.697 1.00 50.14 H new ATOM 0 HG21 ILE A 71 -5.552 -5.879 4.660 1.00 5.43 H new ATOM 0 HG22 ILE A 71 -6.616 -6.769 5.776 1.00 5.43 H new ATOM 0 HG23 ILE A 71 -5.753 -7.639 4.485 1.00 5.43 H new ATOM 0 HD11 ILE A 71 -5.766 -5.060 1.087 1.00 33.42 H new ATOM 0 HD12 ILE A 71 -6.615 -4.201 2.395 1.00 33.42 H new ATOM 0 HD13 ILE A 71 -5.179 -5.186 2.763 1.00 33.42 H new ATOM 1225 N TRP A 72 -9.768 -6.940 5.854 1.00 11.42 N ATOM 1226 CA TRP A 72 -10.281 -7.032 7.233 1.00 0.04 C ATOM 1227 C TRP A 72 -10.974 -8.383 7.483 1.00 64.13 C ATOM 1228 O TRP A 72 -10.906 -8.939 8.580 1.00 31.51 O ATOM 1229 CB TRP A 72 -11.283 -5.901 7.532 1.00 35.23 C ATOM 1230 CG TRP A 72 -10.771 -4.508 7.278 1.00 41.22 C ATOM 1231 CD1 TRP A 72 -11.438 -3.500 6.638 1.00 25.42 C ATOM 1232 CD2 TRP A 72 -9.500 -3.960 7.660 1.00 13.22 C ATOM 1233 NE1 TRP A 72 -10.665 -2.371 6.595 1.00 61.13 N ATOM 1234 CE2 TRP A 72 -9.471 -2.626 7.211 1.00 51.22 C ATOM 1235 CE3 TRP A 72 -8.382 -4.466 8.331 1.00 51.31 C ATOM 1236 CZ2 TRP A 72 -8.376 -1.793 7.413 1.00 21.45 C ATOM 1237 CZ3 TRP A 72 -7.294 -3.633 8.531 1.00 34.53 C ATOM 1238 CH2 TRP A 72 -7.298 -2.312 8.072 1.00 14.24 C ATOM 0 H TRP A 72 -10.142 -6.157 5.318 1.00 11.42 H new ATOM 0 HA TRP A 72 -9.420 -6.939 7.895 1.00 0.04 H new ATOM 0 HB2 TRP A 72 -12.176 -6.059 6.927 1.00 35.23 H new ATOM 0 HB3 TRP A 72 -11.588 -5.974 8.576 1.00 35.23 H new ATOM 0 HD1 TRP A 72 -12.433 -3.583 6.225 1.00 25.42 H new ATOM 0 HE1 TRP A 72 -10.936 -1.483 6.172 1.00 61.13 H new ATOM 0 HE3 TRP A 72 -8.368 -5.486 8.686 1.00 51.31 H new ATOM 0 HZ2 TRP A 72 -8.378 -0.772 7.061 1.00 21.45 H new ATOM 0 HZ3 TRP A 72 -6.426 -4.011 9.051 1.00 34.53 H new ATOM 0 HH2 TRP A 72 -6.432 -1.690 8.242 1.00 14.24 H new ATOM 1249 N GLU A 73 -11.653 -8.889 6.455 1.00 4.43 N ATOM 1250 CA GLU A 73 -12.409 -10.143 6.553 1.00 22.35 C ATOM 1251 C GLU A 73 -11.505 -11.378 6.365 1.00 30.41 C ATOM 1252 O GLU A 73 -11.605 -12.359 7.110 1.00 43.34 O ATOM 1253 CB GLU A 73 -13.520 -10.158 5.492 1.00 20.13 C ATOM 1254 CG GLU A 73 -14.442 -11.371 5.572 1.00 1.45 C ATOM 1255 CD GLU A 73 -15.397 -11.460 4.390 1.00 71.45 C ATOM 1256 OE1 GLU A 73 -16.356 -10.665 4.327 1.00 23.15 O ATOM 1257 OE2 GLU A 73 -15.179 -12.320 3.511 1.00 4.34 O ATOM 0 H GLU A 73 -11.697 -8.448 5.536 1.00 4.43 H new ATOM 0 HA GLU A 73 -12.839 -10.193 7.553 1.00 22.35 H new ATOM 0 HB2 GLU A 73 -14.118 -9.253 5.595 1.00 20.13 H new ATOM 0 HB3 GLU A 73 -13.063 -10.127 4.503 1.00 20.13 H new ATOM 0 HG2 GLU A 73 -13.839 -12.278 5.617 1.00 1.45 H new ATOM 0 HG3 GLU A 73 -15.017 -11.325 6.497 1.00 1.45 H new ATOM 1264 N ARG A 74 -10.632 -11.326 5.360 1.00 42.11 N ATOM 1265 CA ARG A 74 -9.789 -12.475 4.989 1.00 2.31 C ATOM 1266 C ARG A 74 -8.525 -12.590 5.862 1.00 71.34 C ATOM 1267 O ARG A 74 -8.119 -13.692 6.237 1.00 23.31 O ATOM 1268 CB ARG A 74 -9.383 -12.370 3.511 1.00 33.22 C ATOM 1269 CG ARG A 74 -10.564 -12.356 2.542 1.00 62.35 C ATOM 1270 CD ARG A 74 -10.105 -12.267 1.091 1.00 31.34 C ATOM 1271 NE ARG A 74 -11.214 -12.013 0.170 1.00 22.24 N ATOM 1272 CZ ARG A 74 -11.290 -12.496 -1.041 1.00 34.42 C ATOM 1273 NH1 ARG A 74 -10.425 -13.359 -1.464 1.00 44.51 N ATOM 1274 NH2 ARG A 74 -12.257 -12.137 -1.818 1.00 71.14 N ATOM 0 H ARG A 74 -10.485 -10.498 4.782 1.00 42.11 H new ATOM 0 HA ARG A 74 -10.384 -13.373 5.155 1.00 2.31 H new ATOM 0 HB2 ARG A 74 -8.799 -11.461 3.369 1.00 33.22 H new ATOM 0 HB3 ARG A 74 -8.733 -13.209 3.263 1.00 33.22 H new ATOM 0 HG2 ARG A 74 -11.158 -13.259 2.680 1.00 62.35 H new ATOM 0 HG3 ARG A 74 -11.212 -11.510 2.771 1.00 62.35 H new ATOM 0 HD2 ARG A 74 -9.366 -11.471 0.994 1.00 31.34 H new ATOM 0 HD3 ARG A 74 -9.610 -13.197 0.812 1.00 31.34 H new ATOM 0 HE ARG A 74 -11.977 -11.420 0.495 1.00 22.24 H new ATOM 0 HH11 ARG A 74 -9.672 -13.670 -0.850 1.00 44.51 H new ATOM 0 HH12 ARG A 74 -10.495 -13.729 -2.412 1.00 44.51 H new ATOM 0 HH21 ARG A 74 -12.960 -11.477 -1.486 1.00 71.14 H new ATOM 0 HH22 ARG A 74 -12.318 -12.513 -2.764 1.00 71.14 H new ATOM 1288 N TYR A 75 -7.896 -11.456 6.174 1.00 33.31 N ATOM 1289 CA TYR A 75 -6.645 -11.454 6.953 1.00 42.22 C ATOM 1290 C TYR A 75 -6.804 -10.650 8.262 1.00 44.13 C ATOM 1291 O TYR A 75 -6.178 -9.603 8.433 1.00 43.30 O ATOM 1292 CB TYR A 75 -5.491 -10.857 6.118 1.00 72.54 C ATOM 1293 CG TYR A 75 -5.481 -11.277 4.653 1.00 53.22 C ATOM 1294 CD1 TYR A 75 -5.525 -12.616 4.281 1.00 22.13 C ATOM 1295 CD2 TYR A 75 -5.426 -10.320 3.642 1.00 4.45 C ATOM 1296 CE1 TYR A 75 -5.519 -12.988 2.947 1.00 31.41 C ATOM 1297 CE2 TYR A 75 -5.418 -10.686 2.308 1.00 14.23 C ATOM 1298 CZ TYR A 75 -5.466 -12.020 1.967 1.00 72.13 C ATOM 1299 OH TYR A 75 -5.463 -12.389 0.636 1.00 14.30 O ATOM 0 H TYR A 75 -8.225 -10.529 5.904 1.00 33.31 H new ATOM 0 HA TYR A 75 -6.411 -12.488 7.206 1.00 42.22 H new ATOM 0 HB2 TYR A 75 -5.548 -9.770 6.170 1.00 72.54 H new ATOM 0 HB3 TYR A 75 -4.544 -11.148 6.572 1.00 72.54 H new ATOM 0 HD1 TYR A 75 -5.565 -13.378 5.045 1.00 22.13 H new ATOM 0 HD2 TYR A 75 -5.389 -9.273 3.905 1.00 4.45 H new ATOM 0 HE1 TYR A 75 -5.556 -14.033 2.675 1.00 31.41 H new ATOM 0 HE2 TYR A 75 -5.374 -9.930 1.538 1.00 14.23 H new ATOM 0 HH TYR A 75 -4.539 -12.456 0.317 1.00 14.30 H new ATOM 1309 N PRO A 76 -7.619 -11.144 9.222 1.00 43.21 N ATOM 1310 CA PRO A 76 -7.940 -10.392 10.455 1.00 15.53 C ATOM 1311 C PRO A 76 -6.738 -10.219 11.404 1.00 11.45 C ATOM 1312 O PRO A 76 -6.797 -9.448 12.363 1.00 61.34 O ATOM 1313 CB PRO A 76 -9.033 -11.247 11.112 1.00 72.22 C ATOM 1314 CG PRO A 76 -8.793 -12.627 10.603 1.00 21.35 C ATOM 1315 CD PRO A 76 -8.279 -12.464 9.196 1.00 20.25 C ATOM 0 HA PRO A 76 -8.246 -9.370 10.230 1.00 15.53 H new ATOM 0 HB2 PRO A 76 -8.965 -11.209 12.199 1.00 72.22 H new ATOM 0 HB3 PRO A 76 -10.028 -10.893 10.842 1.00 72.22 H new ATOM 0 HG2 PRO A 76 -8.068 -13.152 11.225 1.00 21.35 H new ATOM 0 HG3 PRO A 76 -9.711 -13.214 10.618 1.00 21.35 H new ATOM 0 HD2 PRO A 76 -7.580 -13.257 8.929 1.00 20.25 H new ATOM 0 HD3 PRO A 76 -9.089 -12.494 8.467 1.00 20.25 H new ATOM 1323 N GLN A 77 -5.654 -10.948 11.139 1.00 12.20 N ATOM 1324 CA GLN A 77 -4.426 -10.833 11.938 1.00 41.20 C ATOM 1325 C GLN A 77 -3.533 -9.675 11.446 1.00 21.15 C ATOM 1326 O GLN A 77 -2.709 -9.156 12.201 1.00 34.12 O ATOM 1327 CB GLN A 77 -3.653 -12.160 11.917 1.00 31.34 C ATOM 1328 CG GLN A 77 -3.387 -12.713 10.516 1.00 1.53 C ATOM 1329 CD GLN A 77 -2.527 -13.971 10.522 1.00 54.13 C ATOM 1330 OE1 GLN A 77 -1.581 -14.052 11.438 1.00 1.04 O flip ATOM 1331 NE2 GLN A 77 -2.688 -14.851 9.683 1.00 54.10 N flip ATOM 0 H GLN A 77 -5.598 -11.625 10.378 1.00 12.20 H new ATOM 0 HA GLN A 77 -4.715 -10.608 12.965 1.00 41.20 H new ATOM 0 HB2 GLN A 77 -2.700 -12.019 12.426 1.00 31.34 H new ATOM 0 HB3 GLN A 77 -4.212 -12.902 12.487 1.00 31.34 H new ATOM 0 HG2 GLN A 77 -4.339 -12.933 10.032 1.00 1.53 H new ATOM 0 HG3 GLN A 77 -2.895 -11.947 9.917 1.00 1.53 H new ATOM 0 HE21 GLN A 77 -3.428 -14.762 8.986 1.00 54.10 H new ATOM 0 HE22 GLN A 77 -2.082 -15.672 9.682 1.00 54.10 H new ATOM 1340 N LEU A 78 -3.723 -9.278 10.181 1.00 23.30 N ATOM 1341 CA LEU A 78 -3.007 -8.139 9.571 1.00 13.54 C ATOM 1342 C LEU A 78 -1.501 -8.398 9.361 1.00 53.12 C ATOM 1343 O LEU A 78 -0.724 -7.461 9.182 1.00 45.24 O ATOM 1344 CB LEU A 78 -3.219 -6.862 10.401 1.00 61.54 C ATOM 1345 CG LEU A 78 -4.688 -6.451 10.601 1.00 22.00 C ATOM 1346 CD1 LEU A 78 -4.789 -5.113 11.329 1.00 45.15 C ATOM 1347 CD2 LEU A 78 -5.422 -6.401 9.263 1.00 43.44 C ATOM 0 H LEU A 78 -4.378 -9.735 9.547 1.00 23.30 H new ATOM 0 HA LEU A 78 -3.437 -8.007 8.578 1.00 13.54 H new ATOM 0 HB2 LEU A 78 -2.761 -7.003 11.380 1.00 61.54 H new ATOM 0 HB3 LEU A 78 -2.691 -6.041 9.917 1.00 61.54 H new ATOM 0 HG LEU A 78 -5.168 -7.206 11.224 1.00 22.00 H new ATOM 0 HD11 LEU A 78 -5.838 -4.847 11.457 1.00 45.15 H new ATOM 0 HD12 LEU A 78 -4.313 -5.194 12.306 1.00 45.15 H new ATOM 0 HD13 LEU A 78 -4.288 -4.342 10.744 1.00 45.15 H new ATOM 0 HD21 LEU A 78 -6.459 -6.108 9.428 1.00 43.44 H new ATOM 0 HD22 LEU A 78 -4.939 -5.674 8.610 1.00 43.44 H new ATOM 0 HD23 LEU A 78 -5.393 -7.385 8.795 1.00 43.44 H new ATOM 1359 N ASP A 79 -1.098 -9.669 9.326 1.00 24.14 N ATOM 1360 CA ASP A 79 0.305 -10.041 9.056 1.00 30.12 C ATOM 1361 C ASP A 79 0.679 -9.899 7.558 1.00 13.25 C ATOM 1362 O ASP A 79 1.605 -10.560 7.076 1.00 33.04 O ATOM 1363 CB ASP A 79 0.548 -11.488 9.508 1.00 21.04 C ATOM 1364 CG ASP A 79 0.478 -11.652 11.017 1.00 45.25 C ATOM 1365 OD1 ASP A 79 -0.603 -11.431 11.593 1.00 51.22 O ATOM 1366 OD2 ASP A 79 1.501 -12.026 11.628 1.00 2.11 O ATOM 0 H ASP A 79 -1.718 -10.464 9.480 1.00 24.14 H new ATOM 0 HA ASP A 79 0.937 -9.353 9.617 1.00 30.12 H new ATOM 0 HB2 ASP A 79 -0.192 -12.139 9.041 1.00 21.04 H new ATOM 0 HB3 ASP A 79 1.527 -11.814 9.156 1.00 21.04 H new ATOM 1371 N VAL A 80 -0.020 -9.026 6.831 1.00 70.31 N ATOM 1372 CA VAL A 80 0.199 -8.858 5.387 1.00 51.11 C ATOM 1373 C VAL A 80 0.567 -7.408 5.026 1.00 53.13 C ATOM 1374 O VAL A 80 0.165 -6.465 5.708 1.00 71.25 O ATOM 1375 CB VAL A 80 -1.058 -9.275 4.576 1.00 21.45 C ATOM 1376 CG1 VAL A 80 -1.397 -10.746 4.817 1.00 34.01 C ATOM 1377 CG2 VAL A 80 -2.252 -8.381 4.919 1.00 3.43 C ATOM 0 H VAL A 80 -0.745 -8.421 7.217 1.00 70.31 H new ATOM 0 HA VAL A 80 1.034 -9.508 5.125 1.00 51.11 H new ATOM 0 HB VAL A 80 -0.833 -9.147 3.517 1.00 21.45 H new ATOM 0 HG11 VAL A 80 -2.281 -11.015 4.239 1.00 34.01 H new ATOM 0 HG12 VAL A 80 -0.557 -11.368 4.507 1.00 34.01 H new ATOM 0 HG13 VAL A 80 -1.595 -10.905 5.877 1.00 34.01 H new ATOM 0 HG21 VAL A 80 -3.119 -8.694 4.338 1.00 3.43 H new ATOM 0 HG22 VAL A 80 -2.477 -8.467 5.982 1.00 3.43 H new ATOM 0 HG23 VAL A 80 -2.011 -7.345 4.682 1.00 3.43 H new ATOM 1387 N VAL A 81 1.332 -7.236 3.947 1.00 61.22 N ATOM 1388 CA VAL A 81 1.706 -5.896 3.468 1.00 11.02 C ATOM 1389 C VAL A 81 0.866 -5.491 2.246 1.00 44.45 C ATOM 1390 O VAL A 81 0.818 -6.209 1.248 1.00 51.10 O ATOM 1391 CB VAL A 81 3.208 -5.822 3.094 1.00 52.21 C ATOM 1392 CG1 VAL A 81 3.578 -4.424 2.598 1.00 35.10 C ATOM 1393 CG2 VAL A 81 4.084 -6.225 4.279 1.00 13.35 C ATOM 0 H VAL A 81 1.706 -8.002 3.387 1.00 61.22 H new ATOM 0 HA VAL A 81 1.512 -5.205 4.288 1.00 11.02 H new ATOM 0 HB VAL A 81 3.388 -6.528 2.283 1.00 52.21 H new ATOM 0 HG11 VAL A 81 4.637 -4.397 2.342 1.00 35.10 H new ATOM 0 HG12 VAL A 81 2.985 -4.182 1.716 1.00 35.10 H new ATOM 0 HG13 VAL A 81 3.376 -3.694 3.382 1.00 35.10 H new ATOM 0 HG21 VAL A 81 5.134 -6.165 3.992 1.00 13.35 H new ATOM 0 HG22 VAL A 81 3.897 -5.551 5.115 1.00 13.35 H new ATOM 0 HG23 VAL A 81 3.847 -7.246 4.576 1.00 13.35 H new ATOM 1403 N VAL A 82 0.216 -4.334 2.328 1.00 70.33 N ATOM 1404 CA VAL A 82 -0.633 -3.837 1.239 1.00 23.02 C ATOM 1405 C VAL A 82 0.089 -2.757 0.417 1.00 24.22 C ATOM 1406 O VAL A 82 0.701 -1.851 0.973 1.00 12.31 O ATOM 1407 CB VAL A 82 -1.958 -3.254 1.793 1.00 40.13 C ATOM 1408 CG1 VAL A 82 -2.887 -2.825 0.656 1.00 44.12 C ATOM 1409 CG2 VAL A 82 -2.644 -4.268 2.708 1.00 74.51 C ATOM 0 H VAL A 82 0.259 -3.717 3.139 1.00 70.33 H new ATOM 0 HA VAL A 82 -0.855 -4.685 0.592 1.00 23.02 H new ATOM 0 HB VAL A 82 -1.723 -2.366 2.380 1.00 40.13 H new ATOM 0 HG11 VAL A 82 -3.809 -2.420 1.073 1.00 44.12 H new ATOM 0 HG12 VAL A 82 -2.395 -2.062 0.053 1.00 44.12 H new ATOM 0 HG13 VAL A 82 -3.120 -3.687 0.031 1.00 44.12 H new ATOM 0 HG21 VAL A 82 -3.573 -3.844 3.089 1.00 74.51 H new ATOM 0 HG22 VAL A 82 -2.863 -5.176 2.146 1.00 74.51 H new ATOM 0 HG23 VAL A 82 -1.986 -4.509 3.543 1.00 74.51 H new ATOM 1419 N ILE A 83 0.021 -2.861 -0.908 1.00 1.13 N ATOM 1420 CA ILE A 83 0.631 -1.865 -1.802 1.00 52.53 C ATOM 1421 C ILE A 83 -0.398 -1.329 -2.811 1.00 53.22 C ATOM 1422 O ILE A 83 -1.082 -2.103 -3.473 1.00 52.32 O ATOM 1423 CB ILE A 83 1.841 -2.457 -2.576 1.00 43.13 C ATOM 1424 CG1 ILE A 83 2.894 -3.007 -1.597 1.00 3.05 C ATOM 1425 CG2 ILE A 83 2.463 -1.399 -3.494 1.00 55.31 C ATOM 1426 CD1 ILE A 83 4.083 -3.652 -2.280 1.00 13.55 C ATOM 0 H ILE A 83 -0.450 -3.625 -1.393 1.00 1.13 H new ATOM 0 HA ILE A 83 0.982 -1.048 -1.172 1.00 52.53 H new ATOM 0 HB ILE A 83 1.482 -3.281 -3.193 1.00 43.13 H new ATOM 0 HG12 ILE A 83 3.248 -2.194 -0.963 1.00 3.05 H new ATOM 0 HG13 ILE A 83 2.421 -3.739 -0.942 1.00 3.05 H new ATOM 0 HG21 ILE A 83 3.309 -1.832 -4.028 1.00 55.31 H new ATOM 0 HG22 ILE A 83 1.718 -1.057 -4.212 1.00 55.31 H new ATOM 0 HG23 ILE A 83 2.805 -0.554 -2.896 1.00 55.31 H new ATOM 0 HD11 ILE A 83 4.782 -4.016 -1.527 1.00 13.55 H new ATOM 0 HD12 ILE A 83 3.742 -4.487 -2.892 1.00 13.55 H new ATOM 0 HD13 ILE A 83 4.581 -2.918 -2.913 1.00 13.55 H new ATOM 1438 N VAL A 84 -0.505 -0.007 -2.925 1.00 50.41 N ATOM 1439 CA VAL A 84 -1.462 0.622 -3.847 1.00 21.04 C ATOM 1440 C VAL A 84 -0.744 1.544 -4.849 1.00 25.31 C ATOM 1441 O VAL A 84 0.103 2.357 -4.466 1.00 32.04 O ATOM 1442 CB VAL A 84 -2.534 1.435 -3.079 1.00 30.53 C ATOM 1443 CG1 VAL A 84 -3.659 1.874 -4.017 1.00 45.40 C ATOM 1444 CG2 VAL A 84 -3.085 0.629 -1.903 1.00 72.21 C ATOM 0 H VAL A 84 0.058 0.655 -2.391 1.00 50.41 H new ATOM 0 HA VAL A 84 -1.954 -0.183 -4.393 1.00 21.04 H new ATOM 0 HB VAL A 84 -2.060 2.332 -2.681 1.00 30.53 H new ATOM 0 HG11 VAL A 84 -4.400 2.443 -3.455 1.00 45.40 H new ATOM 0 HG12 VAL A 84 -3.248 2.497 -4.811 1.00 45.40 H new ATOM 0 HG13 VAL A 84 -4.132 0.995 -4.454 1.00 45.40 H new ATOM 0 HG21 VAL A 84 -3.836 1.219 -1.378 1.00 72.21 H new ATOM 0 HG22 VAL A 84 -3.539 -0.290 -2.273 1.00 72.21 H new ATOM 0 HG23 VAL A 84 -2.273 0.383 -1.219 1.00 72.21 H new ATOM 1454 N THR A 85 -1.097 1.428 -6.128 1.00 53.35 N ATOM 1455 CA THR A 85 -0.408 2.169 -7.199 1.00 14.23 C ATOM 1456 C THR A 85 -0.982 3.583 -7.406 1.00 45.43 C ATOM 1457 O THR A 85 -1.465 3.916 -8.492 1.00 51.44 O ATOM 1458 CB THR A 85 -0.484 1.402 -8.542 1.00 70.23 C ATOM 1459 OG1 THR A 85 -1.844 1.325 -8.995 1.00 50.22 O ATOM 1460 CG2 THR A 85 0.066 -0.008 -8.397 1.00 65.12 C ATOM 0 H THR A 85 -1.856 0.829 -6.454 1.00 53.35 H new ATOM 0 HA THR A 85 0.630 2.262 -6.878 1.00 14.23 H new ATOM 0 HB THR A 85 0.118 1.947 -9.269 1.00 70.23 H new ATOM 0 HG1 THR A 85 -2.316 2.150 -8.755 1.00 50.22 H new ATOM 0 HG21 THR A 85 0.001 -0.524 -9.355 1.00 65.12 H new ATOM 0 HG22 THR A 85 1.108 0.039 -8.080 1.00 65.12 H new ATOM 0 HG23 THR A 85 -0.516 -0.551 -7.652 1.00 65.12 H new ATOM 1468 N THR A 86 -0.912 4.424 -6.377 1.00 43.31 N ATOM 1469 CA THR A 86 -1.455 5.788 -6.472 1.00 3.20 C ATOM 1470 C THR A 86 -0.741 6.778 -5.547 1.00 64.13 C ATOM 1471 O THR A 86 -0.087 6.391 -4.578 1.00 21.52 O ATOM 1472 CB THR A 86 -2.970 5.834 -6.153 1.00 44.30 C ATOM 1473 OG1 THR A 86 -3.444 7.184 -6.253 1.00 73.54 O ATOM 1474 CG2 THR A 86 -3.261 5.304 -4.754 1.00 40.45 C ATOM 0 H THR A 86 -0.492 4.195 -5.476 1.00 43.31 H new ATOM 0 HA THR A 86 -1.286 6.085 -7.507 1.00 3.20 H new ATOM 0 HB THR A 86 -3.484 5.200 -6.875 1.00 44.30 H new ATOM 0 HG1 THR A 86 -4.081 7.253 -6.995 1.00 73.54 H new ATOM 0 HG21 THR A 86 -4.333 5.351 -4.563 1.00 40.45 H new ATOM 0 HG22 THR A 86 -2.924 4.270 -4.679 1.00 40.45 H new ATOM 0 HG23 THR A 86 -2.735 5.912 -4.018 1.00 40.45 H new ATOM 1482 N ASP A 87 -0.883 8.063 -5.871 1.00 21.43 N ATOM 1483 CA ASP A 87 -0.343 9.159 -5.056 1.00 34.45 C ATOM 1484 C ASP A 87 -1.481 10.083 -4.567 1.00 60.43 C ATOM 1485 O ASP A 87 -1.242 11.075 -3.883 1.00 24.00 O ATOM 1486 CB ASP A 87 0.687 9.946 -5.891 1.00 13.24 C ATOM 1487 CG ASP A 87 1.250 11.175 -5.186 1.00 11.44 C ATOM 1488 OD1 ASP A 87 2.066 11.021 -4.256 1.00 55.21 O ATOM 1489 OD2 ASP A 87 0.890 12.308 -5.574 1.00 24.43 O ATOM 0 H ASP A 87 -1.376 8.377 -6.707 1.00 21.43 H new ATOM 0 HA ASP A 87 0.150 8.750 -4.174 1.00 34.45 H new ATOM 0 HB2 ASP A 87 1.510 9.282 -6.153 1.00 13.24 H new ATOM 0 HB3 ASP A 87 0.220 10.258 -6.825 1.00 13.24 H new ATOM 1494 N ASP A 88 -2.724 9.737 -4.903 1.00 25.45 N ATOM 1495 CA ASP A 88 -3.884 10.567 -4.548 1.00 44.13 C ATOM 1496 C ASP A 88 -4.095 10.658 -3.023 1.00 13.30 C ATOM 1497 O ASP A 88 -4.241 9.640 -2.339 1.00 45.01 O ATOM 1498 CB ASP A 88 -5.149 10.027 -5.224 1.00 73.24 C ATOM 1499 CG ASP A 88 -5.089 10.154 -6.737 1.00 33.02 C ATOM 1500 OD1 ASP A 88 -5.254 11.282 -7.244 1.00 2.54 O ATOM 1501 OD2 ASP A 88 -4.873 9.137 -7.425 1.00 33.44 O ATOM 0 H ASP A 88 -2.957 8.889 -5.420 1.00 25.45 H new ATOM 0 HA ASP A 88 -3.681 11.576 -4.908 1.00 44.13 H new ATOM 0 HB2 ASP A 88 -5.285 8.980 -4.954 1.00 73.24 H new ATOM 0 HB3 ASP A 88 -6.018 10.568 -4.850 1.00 73.24 H new ATOM 1506 N LYS A 89 -4.143 11.890 -2.506 1.00 31.04 N ATOM 1507 CA LYS A 89 -4.313 12.130 -1.066 1.00 31.54 C ATOM 1508 C LYS A 89 -5.631 11.528 -0.548 1.00 23.20 C ATOM 1509 O LYS A 89 -5.678 10.946 0.537 1.00 25.34 O ATOM 1510 CB LYS A 89 -4.274 13.640 -0.751 1.00 52.32 C ATOM 1511 CG LYS A 89 -2.877 14.278 -0.766 1.00 60.35 C ATOM 1512 CD LYS A 89 -2.255 14.360 -2.169 1.00 21.34 C ATOM 1513 CE LYS A 89 -1.032 13.456 -2.308 1.00 44.40 C ATOM 1514 NZ LYS A 89 -0.396 13.571 -3.650 1.00 74.35 N ATOM 0 H LYS A 89 -4.066 12.740 -3.064 1.00 31.04 H new ATOM 0 HA LYS A 89 -3.484 11.639 -0.557 1.00 31.54 H new ATOM 0 HB2 LYS A 89 -4.901 14.161 -1.474 1.00 52.32 H new ATOM 0 HB3 LYS A 89 -4.718 13.801 0.231 1.00 52.32 H new ATOM 0 HG2 LYS A 89 -2.940 15.282 -0.346 1.00 60.35 H new ATOM 0 HG3 LYS A 89 -2.216 13.702 -0.118 1.00 60.35 H new ATOM 0 HD2 LYS A 89 -3.000 14.078 -2.913 1.00 21.34 H new ATOM 0 HD3 LYS A 89 -1.969 15.391 -2.379 1.00 21.34 H new ATOM 0 HE2 LYS A 89 -0.303 13.713 -1.539 1.00 44.40 H new ATOM 0 HE3 LYS A 89 -1.326 12.421 -2.135 1.00 44.40 H new ATOM 0 HZ1 LYS A 89 -0.525 12.681 -4.173 1.00 74.35 H new ATOM 0 HZ2 LYS A 89 -0.839 14.350 -4.178 1.00 74.35 H new ATOM 0 HZ3 LYS A 89 0.620 13.762 -3.537 1.00 74.35 H new ATOM 1528 N GLU A 90 -6.699 11.674 -1.333 1.00 64.22 N ATOM 1529 CA GLU A 90 -8.016 11.138 -0.962 1.00 70.12 C ATOM 1530 C GLU A 90 -7.986 9.609 -0.796 1.00 62.14 C ATOM 1531 O GLU A 90 -8.609 9.066 0.116 1.00 72.12 O ATOM 1532 CB GLU A 90 -9.076 11.526 -2.001 1.00 54.13 C ATOM 1533 CG GLU A 90 -9.353 13.025 -2.078 1.00 1.44 C ATOM 1534 CD GLU A 90 -10.512 13.351 -3.006 1.00 44.21 C ATOM 1535 OE1 GLU A 90 -11.675 13.202 -2.582 1.00 21.03 O ATOM 1536 OE2 GLU A 90 -10.270 13.730 -4.171 1.00 65.33 O ATOM 0 H GLU A 90 -6.681 12.158 -2.230 1.00 64.22 H new ATOM 0 HA GLU A 90 -8.279 11.578 -0.000 1.00 70.12 H new ATOM 0 HB2 GLU A 90 -8.753 11.176 -2.982 1.00 54.13 H new ATOM 0 HB3 GLU A 90 -10.006 11.007 -1.767 1.00 54.13 H new ATOM 0 HG2 GLU A 90 -9.572 13.403 -1.080 1.00 1.44 H new ATOM 0 HG3 GLU A 90 -8.457 13.540 -2.424 1.00 1.44 H new ATOM 1543 N TRP A 91 -7.264 8.923 -1.680 1.00 62.14 N ATOM 1544 CA TRP A 91 -7.124 7.463 -1.598 1.00 12.52 C ATOM 1545 C TRP A 91 -6.365 7.047 -0.326 1.00 65.41 C ATOM 1546 O TRP A 91 -6.719 6.065 0.329 1.00 25.10 O ATOM 1547 CB TRP A 91 -6.422 6.923 -2.854 1.00 31.14 C ATOM 1548 CG TRP A 91 -7.296 6.922 -4.079 1.00 10.42 C ATOM 1549 CD1 TRP A 91 -7.959 7.989 -4.625 1.00 52.44 C ATOM 1550 CD2 TRP A 91 -7.600 5.797 -4.912 1.00 20.33 C ATOM 1551 NE1 TRP A 91 -8.660 7.588 -5.736 1.00 51.50 N ATOM 1552 CE2 TRP A 91 -8.454 6.251 -5.933 1.00 32.30 C ATOM 1553 CE3 TRP A 91 -7.235 4.445 -4.890 1.00 40.31 C ATOM 1554 CZ2 TRP A 91 -8.945 5.407 -6.923 1.00 55.24 C ATOM 1555 CZ3 TRP A 91 -7.723 3.608 -5.876 1.00 31.12 C ATOM 1556 CH2 TRP A 91 -8.572 4.091 -6.880 1.00 1.34 C ATOM 0 H TRP A 91 -6.766 9.350 -2.461 1.00 62.14 H new ATOM 0 HA TRP A 91 -8.122 7.028 -1.544 1.00 12.52 H new ATOM 0 HB2 TRP A 91 -5.535 7.525 -3.051 1.00 31.14 H new ATOM 0 HB3 TRP A 91 -6.081 5.906 -2.660 1.00 31.14 H new ATOM 0 HD1 TRP A 91 -7.934 8.997 -4.239 1.00 52.44 H new ATOM 0 HE1 TRP A 91 -9.240 8.190 -6.320 1.00 51.50 H new ATOM 0 HE3 TRP A 91 -6.584 4.063 -4.117 1.00 40.31 H new ATOM 0 HZ2 TRP A 91 -9.598 5.777 -7.699 1.00 55.24 H new ATOM 0 HZ3 TRP A 91 -7.445 2.564 -5.872 1.00 31.12 H new ATOM 0 HH2 TRP A 91 -8.939 3.412 -7.635 1.00 1.34 H new ATOM 1567 N ILE A 92 -5.327 7.806 0.024 1.00 51.52 N ATOM 1568 CA ILE A 92 -4.596 7.579 1.277 1.00 54.00 C ATOM 1569 C ILE A 92 -5.521 7.766 2.496 1.00 10.21 C ATOM 1570 O ILE A 92 -5.492 6.981 3.447 1.00 60.32 O ATOM 1571 CB ILE A 92 -3.385 8.541 1.400 1.00 54.03 C ATOM 1572 CG1 ILE A 92 -2.452 8.388 0.184 1.00 70.23 C ATOM 1573 CG2 ILE A 92 -2.622 8.292 2.701 1.00 24.45 C ATOM 1574 CD1 ILE A 92 -1.259 9.324 0.199 1.00 61.20 C ATOM 0 H ILE A 92 -4.972 8.580 -0.537 1.00 51.52 H new ATOM 0 HA ILE A 92 -4.232 6.552 1.258 1.00 54.00 H new ATOM 0 HB ILE A 92 -3.761 9.564 1.420 1.00 54.03 H new ATOM 0 HG12 ILE A 92 -2.093 7.360 0.142 1.00 70.23 H new ATOM 0 HG13 ILE A 92 -3.026 8.563 -0.726 1.00 70.23 H new ATOM 0 HG21 ILE A 92 -1.778 8.978 2.765 1.00 24.45 H new ATOM 0 HG22 ILE A 92 -3.287 8.455 3.549 1.00 24.45 H new ATOM 0 HG23 ILE A 92 -2.257 7.265 2.718 1.00 24.45 H new ATOM 0 HD11 ILE A 92 -0.652 9.154 -0.690 1.00 61.20 H new ATOM 0 HD12 ILE A 92 -1.607 10.357 0.209 1.00 61.20 H new ATOM 0 HD13 ILE A 92 -0.659 9.135 1.089 1.00 61.20 H new ATOM 1586 N LYS A 93 -6.345 8.814 2.448 1.00 52.21 N ATOM 1587 CA LYS A 93 -7.321 9.099 3.508 1.00 42.14 C ATOM 1588 C LYS A 93 -8.369 7.980 3.627 1.00 35.24 C ATOM 1589 O LYS A 93 -8.666 7.507 4.726 1.00 53.04 O ATOM 1590 CB LYS A 93 -8.022 10.436 3.222 1.00 24.30 C ATOM 1591 CG LYS A 93 -9.065 10.835 4.265 1.00 12.04 C ATOM 1592 CD LYS A 93 -9.783 12.129 3.887 1.00 14.30 C ATOM 1593 CE LYS A 93 -10.622 11.970 2.621 1.00 22.20 C ATOM 1594 NZ LYS A 93 -11.791 11.074 2.830 1.00 33.10 N ATOM 0 H LYS A 93 -6.357 9.486 1.681 1.00 52.21 H new ATOM 0 HA LYS A 93 -6.782 9.158 4.454 1.00 42.14 H new ATOM 0 HB2 LYS A 93 -7.269 11.222 3.159 1.00 24.30 H new ATOM 0 HB3 LYS A 93 -8.504 10.378 2.246 1.00 24.30 H new ATOM 0 HG2 LYS A 93 -9.795 10.033 4.373 1.00 12.04 H new ATOM 0 HG3 LYS A 93 -8.581 10.958 5.234 1.00 12.04 H new ATOM 0 HD2 LYS A 93 -10.425 12.441 4.711 1.00 14.30 H new ATOM 0 HD3 LYS A 93 -9.049 12.921 3.738 1.00 14.30 H new ATOM 0 HE2 LYS A 93 -10.971 12.949 2.293 1.00 22.20 H new ATOM 0 HE3 LYS A 93 -9.998 11.570 1.822 1.00 22.20 H new ATOM 0 HZ1 LYS A 93 -11.939 10.493 1.980 1.00 33.10 H new ATOM 0 HZ2 LYS A 93 -11.612 10.455 3.646 1.00 33.10 H new ATOM 0 HZ3 LYS A 93 -12.640 11.647 3.010 1.00 33.10 H new ATOM 1608 N ASP A 94 -8.916 7.565 2.484 1.00 50.21 N ATOM 1609 CA ASP A 94 -9.974 6.546 2.434 1.00 25.44 C ATOM 1610 C ASP A 94 -9.548 5.265 3.182 1.00 23.41 C ATOM 1611 O ASP A 94 -10.314 4.700 3.967 1.00 34.12 O ATOM 1612 CB ASP A 94 -10.306 6.231 0.962 1.00 62.12 C ATOM 1613 CG ASP A 94 -11.757 5.825 0.755 1.00 34.13 C ATOM 1614 OD1 ASP A 94 -12.607 6.728 0.566 1.00 62.12 O ATOM 1615 OD2 ASP A 94 -12.059 4.620 0.778 1.00 60.53 O ATOM 0 H ASP A 94 -8.642 7.922 1.568 1.00 50.21 H new ATOM 0 HA ASP A 94 -10.863 6.934 2.931 1.00 25.44 H new ATOM 0 HB2 ASP A 94 -10.089 7.107 0.351 1.00 62.12 H new ATOM 0 HB3 ASP A 94 -9.656 5.429 0.612 1.00 62.12 H new ATOM 1620 N PHE A 95 -8.306 4.835 2.949 1.00 65.35 N ATOM 1621 CA PHE A 95 -7.739 3.660 3.625 1.00 71.14 C ATOM 1622 C PHE A 95 -7.790 3.808 5.158 1.00 71.31 C ATOM 1623 O PHE A 95 -8.244 2.908 5.871 1.00 71.14 O ATOM 1624 CB PHE A 95 -6.283 3.450 3.170 1.00 73.50 C ATOM 1625 CG PHE A 95 -5.635 2.202 3.731 1.00 24.43 C ATOM 1626 CD1 PHE A 95 -5.040 2.213 4.986 1.00 24.31 C ATOM 1627 CD2 PHE A 95 -5.621 1.020 3.002 1.00 2.40 C ATOM 1628 CE1 PHE A 95 -4.453 1.073 5.501 1.00 61.11 C ATOM 1629 CE2 PHE A 95 -5.033 -0.121 3.512 1.00 42.10 C ATOM 1630 CZ PHE A 95 -4.449 -0.094 4.763 1.00 51.34 C ATOM 0 H PHE A 95 -7.668 5.285 2.293 1.00 65.35 H new ATOM 0 HA PHE A 95 -8.340 2.793 3.352 1.00 71.14 H new ATOM 0 HB2 PHE A 95 -6.257 3.402 2.081 1.00 73.50 H new ATOM 0 HB3 PHE A 95 -5.692 4.317 3.465 1.00 73.50 H new ATOM 0 HD1 PHE A 95 -5.036 3.124 5.566 1.00 24.31 H new ATOM 0 HD2 PHE A 95 -6.076 0.993 2.023 1.00 2.40 H new ATOM 0 HE1 PHE A 95 -3.998 1.095 6.480 1.00 61.11 H new ATOM 0 HE2 PHE A 95 -5.030 -1.033 2.933 1.00 42.10 H new ATOM 0 HZ PHE A 95 -3.989 -0.985 5.164 1.00 51.34 H new ATOM 1640 N ILE A 96 -7.317 4.951 5.653 1.00 33.42 N ATOM 1641 CA ILE A 96 -7.244 5.210 7.098 1.00 23.42 C ATOM 1642 C ILE A 96 -8.640 5.210 7.746 1.00 70.12 C ATOM 1643 O ILE A 96 -8.827 4.686 8.849 1.00 43.01 O ATOM 1644 CB ILE A 96 -6.545 6.566 7.385 1.00 63.20 C ATOM 1645 CG1 ILE A 96 -5.137 6.581 6.764 1.00 21.03 C ATOM 1646 CG2 ILE A 96 -6.475 6.840 8.889 1.00 25.52 C ATOM 1647 CD1 ILE A 96 -4.392 7.889 6.948 1.00 32.23 C ATOM 0 H ILE A 96 -6.976 5.719 5.074 1.00 33.42 H new ATOM 0 HA ILE A 96 -6.657 4.402 7.535 1.00 23.42 H new ATOM 0 HB ILE A 96 -7.136 7.359 6.928 1.00 63.20 H new ATOM 0 HG12 ILE A 96 -4.549 5.776 7.204 1.00 21.03 H new ATOM 0 HG13 ILE A 96 -5.220 6.369 5.698 1.00 21.03 H new ATOM 0 HG21 ILE A 96 -5.981 7.796 9.062 1.00 25.52 H new ATOM 0 HG22 ILE A 96 -7.484 6.873 9.300 1.00 25.52 H new ATOM 0 HG23 ILE A 96 -5.910 6.046 9.378 1.00 25.52 H new ATOM 0 HD11 ILE A 96 -3.409 7.817 6.482 1.00 32.23 H new ATOM 0 HD12 ILE A 96 -4.956 8.697 6.482 1.00 32.23 H new ATOM 0 HD13 ILE A 96 -4.275 8.094 8.012 1.00 32.23 H new ATOM 1659 N GLU A 97 -9.614 5.790 7.050 1.00 45.23 N ATOM 1660 CA GLU A 97 -10.985 5.883 7.567 1.00 52.43 C ATOM 1661 C GLU A 97 -11.623 4.492 7.735 1.00 10.34 C ATOM 1662 O GLU A 97 -12.215 4.195 8.775 1.00 15.50 O ATOM 1663 CB GLU A 97 -11.841 6.768 6.648 1.00 13.05 C ATOM 1664 CG GLU A 97 -11.280 8.180 6.483 1.00 32.21 C ATOM 1665 CD GLU A 97 -12.184 9.097 5.675 1.00 63.31 C ATOM 1666 OE1 GLU A 97 -12.155 9.030 4.428 1.00 52.22 O ATOM 1667 OE2 GLU A 97 -12.924 9.902 6.286 1.00 43.22 O ATOM 0 H GLU A 97 -9.484 6.204 6.127 1.00 45.23 H new ATOM 0 HA GLU A 97 -10.941 6.342 8.555 1.00 52.43 H new ATOM 0 HB2 GLU A 97 -11.917 6.297 5.668 1.00 13.05 H new ATOM 0 HB3 GLU A 97 -12.852 6.830 7.051 1.00 13.05 H new ATOM 0 HG2 GLU A 97 -11.119 8.617 7.469 1.00 32.21 H new ATOM 0 HG3 GLU A 97 -10.306 8.122 5.997 1.00 32.21 H new ATOM 1674 N GLU A 98 -11.480 3.637 6.721 1.00 21.22 N ATOM 1675 CA GLU A 98 -12.005 2.264 6.785 1.00 62.13 C ATOM 1676 C GLU A 98 -11.334 1.451 7.905 1.00 23.42 C ATOM 1677 O GLU A 98 -11.968 0.609 8.546 1.00 10.12 O ATOM 1678 CB GLU A 98 -11.821 1.559 5.434 1.00 13.33 C ATOM 1679 CG GLU A 98 -12.623 2.186 4.299 1.00 73.14 C ATOM 1680 CD GLU A 98 -14.126 2.147 4.544 1.00 62.32 C ATOM 1681 OE1 GLU A 98 -14.663 3.084 5.173 1.00 12.32 O ATOM 1682 OE2 GLU A 98 -14.777 1.171 4.114 1.00 64.52 O ATOM 0 H GLU A 98 -11.007 3.866 5.847 1.00 21.22 H new ATOM 0 HA GLU A 98 -13.069 2.328 7.013 1.00 62.13 H new ATOM 0 HB2 GLU A 98 -10.764 1.571 5.169 1.00 13.33 H new ATOM 0 HB3 GLU A 98 -12.112 0.514 5.538 1.00 13.33 H new ATOM 0 HG2 GLU A 98 -12.308 3.221 4.167 1.00 73.14 H new ATOM 0 HG3 GLU A 98 -12.398 1.663 3.369 1.00 73.14 H new ATOM 1689 N ALA A 99 -10.050 1.704 8.143 1.00 21.43 N ATOM 1690 CA ALA A 99 -9.338 1.066 9.253 1.00 5.43 C ATOM 1691 C ALA A 99 -9.937 1.483 10.605 1.00 2.22 C ATOM 1692 O ALA A 99 -10.196 0.644 11.473 1.00 40.14 O ATOM 1693 CB ALA A 99 -7.854 1.403 9.192 1.00 0.01 C ATOM 0 H ALA A 99 -9.481 2.342 7.587 1.00 21.43 H new ATOM 0 HA ALA A 99 -9.453 -0.014 9.157 1.00 5.43 H new ATOM 0 HB1 ALA A 99 -7.337 0.922 10.023 1.00 0.01 H new ATOM 0 HB2 ALA A 99 -7.438 1.045 8.250 1.00 0.01 H new ATOM 0 HB3 ALA A 99 -7.723 2.483 9.259 1.00 0.01 H new ATOM 1699 N LYS A 100 -10.177 2.783 10.769 1.00 71.32 N ATOM 1700 CA LYS A 100 -10.793 3.310 11.992 1.00 75.15 C ATOM 1701 C LYS A 100 -12.272 2.907 12.104 1.00 51.21 C ATOM 1702 O LYS A 100 -12.836 2.876 13.201 1.00 43.44 O ATOM 1703 CB LYS A 100 -10.646 4.834 12.047 1.00 44.12 C ATOM 1704 CG LYS A 100 -9.211 5.288 12.298 1.00 15.44 C ATOM 1705 CD LYS A 100 -9.115 6.799 12.492 1.00 50.31 C ATOM 1706 CE LYS A 100 -7.776 7.190 13.101 1.00 12.40 C ATOM 1707 NZ LYS A 100 -7.549 6.516 14.411 1.00 32.51 N ATOM 0 H LYS A 100 -9.955 3.493 10.072 1.00 71.32 H new ATOM 0 HA LYS A 100 -10.269 2.872 12.842 1.00 75.15 H new ATOM 0 HB2 LYS A 100 -10.997 5.261 11.108 1.00 44.12 H new ATOM 0 HB3 LYS A 100 -11.288 5.227 12.835 1.00 44.12 H new ATOM 0 HG2 LYS A 100 -8.820 4.783 13.182 1.00 15.44 H new ATOM 0 HG3 LYS A 100 -8.584 4.990 11.458 1.00 15.44 H new ATOM 0 HD2 LYS A 100 -9.242 7.301 11.533 1.00 50.31 H new ATOM 0 HD3 LYS A 100 -9.925 7.138 13.138 1.00 50.31 H new ATOM 0 HE2 LYS A 100 -6.973 6.928 12.413 1.00 12.40 H new ATOM 0 HE3 LYS A 100 -7.739 8.271 13.237 1.00 12.40 H new ATOM 0 HZ1 LYS A 100 -6.561 6.655 14.706 1.00 32.51 H new ATOM 0 HZ2 LYS A 100 -8.185 6.924 15.126 1.00 32.51 H new ATOM 0 HZ3 LYS A 100 -7.742 5.499 14.316 1.00 32.51 H new ATOM 1721 N GLU A 101 -12.892 2.605 10.965 1.00 14.41 N ATOM 1722 CA GLU A 101 -14.243 2.036 10.945 1.00 45.30 C ATOM 1723 C GLU A 101 -14.247 0.669 11.652 1.00 50.30 C ATOM 1724 O GLU A 101 -15.186 0.324 12.371 1.00 73.13 O ATOM 1725 CB GLU A 101 -14.729 1.923 9.485 1.00 0.34 C ATOM 1726 CG GLU A 101 -16.159 1.401 9.304 1.00 11.32 C ATOM 1727 CD GLU A 101 -16.230 -0.101 9.053 1.00 45.13 C ATOM 1728 OE1 GLU A 101 -15.755 -0.552 7.986 1.00 72.33 O ATOM 1729 OE2 GLU A 101 -16.769 -0.835 9.911 1.00 4.14 O ATOM 0 H GLU A 101 -12.482 2.744 10.042 1.00 14.41 H new ATOM 0 HA GLU A 101 -14.930 2.688 11.484 1.00 45.30 H new ATOM 0 HB2 GLU A 101 -14.658 2.906 9.020 1.00 0.34 H new ATOM 0 HB3 GLU A 101 -14.049 1.265 8.944 1.00 0.34 H new ATOM 0 HG2 GLU A 101 -16.740 1.641 10.194 1.00 11.32 H new ATOM 0 HG3 GLU A 101 -16.625 1.924 8.469 1.00 11.32 H new ATOM 1736 N ARG A 102 -13.163 -0.087 11.464 1.00 3.02 N ATOM 1737 CA ARG A 102 -12.977 -1.375 12.148 1.00 14.52 C ATOM 1738 C ARG A 102 -12.344 -1.189 13.539 1.00 53.40 C ATOM 1739 O ARG A 102 -12.433 -2.069 14.398 1.00 75.44 O ATOM 1740 CB ARG A 102 -12.094 -2.289 11.288 1.00 31.41 C ATOM 1741 CG ARG A 102 -12.659 -2.522 9.893 1.00 21.30 C ATOM 1742 CD ARG A 102 -13.962 -3.313 9.940 1.00 1.32 C ATOM 1743 NE ARG A 102 -14.828 -3.007 8.808 1.00 11.10 N ATOM 1744 CZ ARG A 102 -15.867 -3.713 8.459 1.00 15.21 C ATOM 1745 NH1 ARG A 102 -16.193 -4.790 9.102 1.00 10.10 N ATOM 1746 NH2 ARG A 102 -16.601 -3.312 7.475 1.00 30.01 N ATOM 0 H ARG A 102 -12.396 0.169 10.842 1.00 3.02 H new ATOM 0 HA ARG A 102 -13.957 -1.832 12.287 1.00 14.52 H new ATOM 0 HB2 ARG A 102 -11.100 -1.849 11.203 1.00 31.41 H new ATOM 0 HB3 ARG A 102 -11.976 -3.249 11.791 1.00 31.41 H new ATOM 0 HG2 ARG A 102 -12.832 -1.563 9.405 1.00 21.30 H new ATOM 0 HG3 ARG A 102 -11.928 -3.059 9.289 1.00 21.30 H new ATOM 0 HD2 ARG A 102 -13.738 -4.380 9.947 1.00 1.32 H new ATOM 0 HD3 ARG A 102 -14.487 -3.091 10.869 1.00 1.32 H new ATOM 0 HE ARG A 102 -14.605 -2.183 8.250 1.00 11.10 H new ATOM 0 HH11 ARG A 102 -15.633 -5.099 9.897 1.00 10.10 H new ATOM 0 HH12 ARG A 102 -17.010 -5.329 8.814 1.00 10.10 H new ATOM 0 HH21 ARG A 102 -16.365 -2.452 6.980 1.00 30.01 H new ATOM 0 HH22 ARG A 102 -17.416 -3.856 7.192 1.00 30.01 H new ATOM 1760 N GLY A 103 -11.719 -0.034 13.757 1.00 44.21 N ATOM 1761 CA GLY A 103 -11.099 0.264 15.048 1.00 44.44 C ATOM 1762 C GLY A 103 -9.666 -0.254 15.174 1.00 41.44 C ATOM 1763 O GLY A 103 -9.139 -0.376 16.281 1.00 40.13 O ATOM 0 H GLY A 103 -11.628 0.707 13.062 1.00 44.21 H new ATOM 0 HA2 GLY A 103 -11.101 1.343 15.202 1.00 44.44 H new ATOM 0 HA3 GLY A 103 -11.705 -0.172 15.842 1.00 44.44 H new ATOM 1767 N VAL A 104 -9.032 -0.552 14.041 1.00 21.32 N ATOM 1768 CA VAL A 104 -7.651 -1.060 14.028 1.00 61.43 C ATOM 1769 C VAL A 104 -6.625 0.074 13.845 1.00 64.22 C ATOM 1770 O VAL A 104 -6.992 1.222 13.574 1.00 71.31 O ATOM 1771 CB VAL A 104 -7.456 -2.127 12.916 1.00 43.01 C ATOM 1772 CG1 VAL A 104 -8.191 -3.419 13.274 1.00 64.30 C ATOM 1773 CG2 VAL A 104 -7.933 -1.601 11.561 1.00 73.23 C ATOM 0 H VAL A 104 -9.449 -0.452 13.116 1.00 21.32 H new ATOM 0 HA VAL A 104 -7.478 -1.524 14.999 1.00 61.43 H new ATOM 0 HB VAL A 104 -6.390 -2.343 12.841 1.00 43.01 H new ATOM 0 HG11 VAL A 104 -8.042 -4.154 12.483 1.00 64.30 H new ATOM 0 HG12 VAL A 104 -7.800 -3.812 14.212 1.00 64.30 H new ATOM 0 HG13 VAL A 104 -9.256 -3.214 13.383 1.00 64.30 H new ATOM 0 HG21 VAL A 104 -7.785 -2.368 10.801 1.00 73.23 H new ATOM 0 HG22 VAL A 104 -8.992 -1.349 11.621 1.00 73.23 H new ATOM 0 HG23 VAL A 104 -7.362 -0.711 11.295 1.00 73.23 H new ATOM 1783 N GLU A 105 -5.340 -0.251 14.000 1.00 70.33 N ATOM 1784 CA GLU A 105 -4.268 0.748 13.874 1.00 70.04 C ATOM 1785 C GLU A 105 -3.727 0.806 12.432 1.00 43.44 C ATOM 1786 O GLU A 105 -3.727 -0.195 11.710 1.00 55.13 O ATOM 1787 CB GLU A 105 -3.129 0.436 14.859 1.00 34.33 C ATOM 1788 CG GLU A 105 -3.573 0.342 16.318 1.00 65.13 C ATOM 1789 CD GLU A 105 -2.404 0.184 17.284 1.00 23.33 C ATOM 1790 OE1 GLU A 105 -1.893 -0.946 17.437 1.00 2.11 O ATOM 1791 OE2 GLU A 105 -1.987 1.190 17.894 1.00 21.31 O ATOM 0 H GLU A 105 -5.013 -1.194 14.212 1.00 70.33 H new ATOM 0 HA GLU A 105 -4.687 1.724 14.116 1.00 70.04 H new ATOM 0 HB2 GLU A 105 -2.662 -0.506 14.571 1.00 34.33 H new ATOM 0 HB3 GLU A 105 -2.366 1.209 14.772 1.00 34.33 H new ATOM 0 HG2 GLU A 105 -4.136 1.238 16.580 1.00 65.13 H new ATOM 0 HG3 GLU A 105 -4.250 -0.505 16.433 1.00 65.13 H new ATOM 1798 N VAL A 106 -3.240 1.979 12.023 1.00 43.25 N ATOM 1799 CA VAL A 106 -2.824 2.201 10.630 1.00 42.54 C ATOM 1800 C VAL A 106 -1.329 2.555 10.519 1.00 13.31 C ATOM 1801 O VAL A 106 -0.779 3.254 11.367 1.00 42.02 O ATOM 1802 CB VAL A 106 -3.652 3.343 9.985 1.00 34.33 C ATOM 1803 CG1 VAL A 106 -3.419 3.406 8.478 1.00 34.33 C ATOM 1804 CG2 VAL A 106 -5.137 3.186 10.302 1.00 24.34 C ATOM 0 H VAL A 106 -3.123 2.789 12.631 1.00 43.25 H new ATOM 0 HA VAL A 106 -3.001 1.264 10.102 1.00 42.54 H new ATOM 0 HB VAL A 106 -3.314 4.286 10.415 1.00 34.33 H new ATOM 0 HG11 VAL A 106 -4.012 4.215 8.052 1.00 34.33 H new ATOM 0 HG12 VAL A 106 -2.362 3.587 8.280 1.00 34.33 H new ATOM 0 HG13 VAL A 106 -3.716 2.461 8.024 1.00 34.33 H new ATOM 0 HG21 VAL A 106 -5.696 3.999 9.839 1.00 24.34 H new ATOM 0 HG22 VAL A 106 -5.493 2.232 9.912 1.00 24.34 H new ATOM 0 HG23 VAL A 106 -5.284 3.214 11.382 1.00 24.34 H new ATOM 1814 N PHE A 107 -0.676 2.062 9.469 1.00 63.12 N ATOM 1815 CA PHE A 107 0.716 2.425 9.169 1.00 21.31 C ATOM 1816 C PHE A 107 0.874 2.713 7.664 1.00 73.34 C ATOM 1817 O PHE A 107 0.905 1.796 6.843 1.00 21.41 O ATOM 1818 CB PHE A 107 1.670 1.298 9.614 1.00 41.22 C ATOM 1819 CG PHE A 107 3.148 1.638 9.564 1.00 63.22 C ATOM 1820 CD1 PHE A 107 3.597 2.876 9.115 1.00 14.15 C ATOM 1821 CD2 PHE A 107 4.091 0.703 9.968 1.00 41.33 C ATOM 1822 CE1 PHE A 107 4.946 3.165 9.071 1.00 25.31 C ATOM 1823 CE2 PHE A 107 5.442 0.992 9.922 1.00 60.04 C ATOM 1824 CZ PHE A 107 5.869 2.223 9.471 1.00 21.11 C ATOM 0 H PHE A 107 -1.088 1.406 8.805 1.00 63.12 H new ATOM 0 HA PHE A 107 0.974 3.328 9.722 1.00 21.31 H new ATOM 0 HB2 PHE A 107 1.415 1.011 10.634 1.00 41.22 H new ATOM 0 HB3 PHE A 107 1.494 0.426 8.984 1.00 41.22 H new ATOM 0 HD1 PHE A 107 2.881 3.620 8.797 1.00 14.15 H new ATOM 0 HD2 PHE A 107 3.765 -0.263 10.323 1.00 41.33 H new ATOM 0 HE1 PHE A 107 5.279 4.131 8.722 1.00 25.31 H new ATOM 0 HE2 PHE A 107 6.163 0.253 10.239 1.00 60.04 H new ATOM 0 HZ PHE A 107 6.924 2.449 9.431 1.00 21.11 H new ATOM 1834 N VAL A 108 0.965 3.995 7.311 1.00 24.34 N ATOM 1835 CA VAL A 108 1.017 4.419 5.907 1.00 43.54 C ATOM 1836 C VAL A 108 2.411 4.938 5.506 1.00 72.25 C ATOM 1837 O VAL A 108 2.900 5.936 6.044 1.00 74.15 O ATOM 1838 CB VAL A 108 -0.028 5.529 5.619 1.00 53.10 C ATOM 1839 CG1 VAL A 108 -0.039 5.893 4.136 1.00 70.35 C ATOM 1840 CG2 VAL A 108 -1.419 5.103 6.082 1.00 3.45 C ATOM 0 H VAL A 108 1.005 4.764 7.980 1.00 24.34 H new ATOM 0 HA VAL A 108 0.790 3.533 5.314 1.00 43.54 H new ATOM 0 HB VAL A 108 0.259 6.416 6.184 1.00 53.10 H new ATOM 0 HG11 VAL A 108 -0.779 6.673 3.958 1.00 70.35 H new ATOM 0 HG12 VAL A 108 0.947 6.255 3.843 1.00 70.35 H new ATOM 0 HG13 VAL A 108 -0.292 5.012 3.547 1.00 70.35 H new ATOM 0 HG21 VAL A 108 -2.133 5.899 5.869 1.00 3.45 H new ATOM 0 HG22 VAL A 108 -1.717 4.197 5.554 1.00 3.45 H new ATOM 0 HG23 VAL A 108 -1.402 4.909 7.154 1.00 3.45 H new ATOM 1850 N VAL A 109 3.044 4.253 4.560 1.00 71.10 N ATOM 1851 CA VAL A 109 4.319 4.699 3.986 1.00 52.23 C ATOM 1852 C VAL A 109 4.157 4.980 2.484 1.00 53.32 C ATOM 1853 O VAL A 109 3.856 4.076 1.707 1.00 4.14 O ATOM 1854 CB VAL A 109 5.435 3.639 4.188 1.00 43.23 C ATOM 1855 CG1 VAL A 109 6.769 4.134 3.624 1.00 53.11 C ATOM 1856 CG2 VAL A 109 5.570 3.267 5.663 1.00 13.54 C ATOM 0 H VAL A 109 2.695 3.378 4.168 1.00 71.10 H new ATOM 0 HA VAL A 109 4.609 5.613 4.505 1.00 52.23 H new ATOM 0 HB VAL A 109 5.151 2.742 3.638 1.00 43.23 H new ATOM 0 HG11 VAL A 109 7.534 3.373 3.778 1.00 53.11 H new ATOM 0 HG12 VAL A 109 6.662 4.331 2.557 1.00 53.11 H new ATOM 0 HG13 VAL A 109 7.062 5.051 4.134 1.00 53.11 H new ATOM 0 HG21 VAL A 109 6.358 2.523 5.780 1.00 13.54 H new ATOM 0 HG22 VAL A 109 5.822 4.156 6.241 1.00 13.54 H new ATOM 0 HG23 VAL A 109 4.627 2.856 6.022 1.00 13.54 H new ATOM 1866 N TYR A 110 4.350 6.231 2.071 1.00 65.42 N ATOM 1867 CA TYR A 110 4.165 6.598 0.662 1.00 24.33 C ATOM 1868 C TYR A 110 5.348 7.393 0.099 1.00 60.40 C ATOM 1869 O TYR A 110 6.017 8.146 0.812 1.00 1.43 O ATOM 1870 CB TYR A 110 2.852 7.376 0.467 1.00 34.11 C ATOM 1871 CG TYR A 110 2.696 8.606 1.347 1.00 31.41 C ATOM 1872 CD1 TYR A 110 3.151 9.854 0.931 1.00 71.21 C ATOM 1873 CD2 TYR A 110 2.068 8.519 2.586 1.00 2.21 C ATOM 1874 CE1 TYR A 110 2.989 10.972 1.726 1.00 63.13 C ATOM 1875 CE2 TYR A 110 1.900 9.634 3.382 1.00 71.23 C ATOM 1876 CZ TYR A 110 2.361 10.857 2.948 1.00 71.24 C ATOM 1877 OH TYR A 110 2.195 11.970 3.736 1.00 42.04 O ATOM 0 H TYR A 110 4.630 7.000 2.679 1.00 65.42 H new ATOM 0 HA TYR A 110 4.111 5.665 0.101 1.00 24.33 H new ATOM 0 HB2 TYR A 110 2.781 7.683 -0.576 1.00 34.11 H new ATOM 0 HB3 TYR A 110 2.017 6.703 0.659 1.00 34.11 H new ATOM 0 HD1 TYR A 110 3.638 9.950 -0.028 1.00 71.21 H new ATOM 0 HD2 TYR A 110 1.706 7.562 2.931 1.00 2.21 H new ATOM 0 HE1 TYR A 110 3.353 11.932 1.392 1.00 63.13 H new ATOM 0 HE2 TYR A 110 1.410 9.548 4.340 1.00 71.23 H new ATOM 0 HH TYR A 110 1.734 11.719 4.563 1.00 42.04 H new ATOM 1887 N ASN A 111 5.594 7.209 -1.196 1.00 11.20 N ATOM 1888 CA ASN A 111 6.681 7.898 -1.891 1.00 75.23 C ATOM 1889 C ASN A 111 6.184 9.202 -2.530 1.00 43.32 C ATOM 1890 O ASN A 111 5.264 9.194 -3.347 1.00 23.01 O ATOM 1891 CB ASN A 111 7.280 6.995 -2.975 1.00 64.31 C ATOM 1892 CG ASN A 111 8.470 7.635 -3.672 1.00 43.21 C ATOM 1893 OD1 ASN A 111 8.316 8.383 -4.633 1.00 5.04 O ATOM 1894 ND2 ASN A 111 9.666 7.342 -3.203 1.00 31.32 N ATOM 0 H ASN A 111 5.051 6.583 -1.790 1.00 11.20 H new ATOM 0 HA ASN A 111 7.449 8.137 -1.155 1.00 75.23 H new ATOM 0 HB2 ASN A 111 7.590 6.051 -2.527 1.00 64.31 H new ATOM 0 HB3 ASN A 111 6.513 6.761 -3.713 1.00 64.31 H new ATOM 0 HD21 ASN A 111 10.497 7.740 -3.640 1.00 31.32 H new ATOM 0 HD22 ASN A 111 9.761 6.717 -2.403 1.00 31.32 H new ATOM 1901 N ASN A 112 6.805 10.316 -2.158 1.00 32.50 N ATOM 1902 CA ASN A 112 6.472 11.618 -2.742 1.00 10.13 C ATOM 1903 C ASN A 112 7.731 12.490 -2.854 1.00 22.54 C ATOM 1904 O ASN A 112 8.644 12.393 -2.031 1.00 31.51 O ATOM 1905 CB ASN A 112 5.389 12.320 -1.919 1.00 51.25 C ATOM 1906 CG ASN A 112 4.825 13.536 -2.631 1.00 73.04 C ATOM 1907 OD1 ASN A 112 5.341 14.640 -2.506 1.00 75.43 O ATOM 1908 ND2 ASN A 112 3.768 13.341 -3.394 1.00 73.00 N ATOM 0 H ASN A 112 7.543 10.347 -1.454 1.00 32.50 H new ATOM 0 HA ASN A 112 6.077 11.458 -3.745 1.00 10.13 H new ATOM 0 HB2 ASN A 112 4.582 11.618 -1.709 1.00 51.25 H new ATOM 0 HB3 ASN A 112 5.805 12.624 -0.959 1.00 51.25 H new ATOM 0 HD21 ASN A 112 3.355 14.123 -3.903 1.00 73.00 H new ATOM 0 HD22 ASN A 112 3.363 12.408 -3.476 1.00 73.00 H new ATOM 1915 N LYS A 113 7.763 13.357 -3.857 1.00 71.42 N ATOM 1916 CA LYS A 113 9.006 14.019 -4.267 1.00 32.31 C ATOM 1917 C LYS A 113 9.276 15.341 -3.517 1.00 22.11 C ATOM 1918 O LYS A 113 10.435 15.687 -3.268 1.00 41.13 O ATOM 1919 CB LYS A 113 8.987 14.261 -5.788 1.00 15.22 C ATOM 1920 CG LYS A 113 8.877 12.981 -6.633 1.00 72.32 C ATOM 1921 CD LYS A 113 7.480 12.354 -6.569 1.00 73.53 C ATOM 1922 CE LYS A 113 7.383 11.055 -7.370 1.00 63.43 C ATOM 1923 NZ LYS A 113 8.188 9.949 -6.780 1.00 1.10 N ATOM 0 H LYS A 113 6.945 13.622 -4.405 1.00 71.42 H new ATOM 0 HA LYS A 113 9.823 13.348 -4.002 1.00 32.31 H new ATOM 0 HB2 LYS A 113 8.149 14.914 -6.029 1.00 15.22 H new ATOM 0 HB3 LYS A 113 9.896 14.792 -6.071 1.00 15.22 H new ATOM 0 HG2 LYS A 113 9.121 13.212 -7.670 1.00 72.32 H new ATOM 0 HG3 LYS A 113 9.613 12.256 -6.286 1.00 72.32 H new ATOM 0 HD2 LYS A 113 7.222 12.156 -5.529 1.00 73.53 H new ATOM 0 HD3 LYS A 113 6.748 13.067 -6.949 1.00 73.53 H new ATOM 0 HE2 LYS A 113 6.339 10.747 -7.428 1.00 63.43 H new ATOM 0 HE3 LYS A 113 7.719 11.238 -8.391 1.00 63.43 H new ATOM 0 HZ1 LYS A 113 8.044 9.081 -7.335 1.00 1.10 H new ATOM 0 HZ2 LYS A 113 9.195 10.207 -6.795 1.00 1.10 H new ATOM 0 HZ3 LYS A 113 7.887 9.786 -5.798 1.00 1.10 H new ATOM 1937 N ASP A 114 8.224 16.072 -3.151 1.00 33.24 N ATOM 1938 CA ASP A 114 8.381 17.395 -2.526 1.00 71.42 C ATOM 1939 C ASP A 114 8.229 17.337 -0.993 1.00 30.40 C ATOM 1940 O ASP A 114 7.173 16.963 -0.488 1.00 65.33 O ATOM 1941 CB ASP A 114 7.340 18.360 -3.093 1.00 50.01 C ATOM 1942 CG ASP A 114 7.428 18.502 -4.602 1.00 43.12 C ATOM 1943 OD1 ASP A 114 6.850 17.659 -5.322 1.00 15.52 O ATOM 1944 OD2 ASP A 114 8.057 19.470 -5.075 1.00 4.32 O ATOM 0 H ASP A 114 7.255 15.777 -3.274 1.00 33.24 H new ATOM 0 HA ASP A 114 9.389 17.742 -2.752 1.00 71.42 H new ATOM 0 HB2 ASP A 114 6.343 18.011 -2.823 1.00 50.01 H new ATOM 0 HB3 ASP A 114 7.470 19.339 -2.632 1.00 50.01 H new ATOM 1949 N ASP A 115 9.269 17.749 -0.262 1.00 42.32 N ATOM 1950 CA ASP A 115 9.245 17.736 1.212 1.00 73.11 C ATOM 1951 C ASP A 115 8.047 18.518 1.782 1.00 23.51 C ATOM 1952 O ASP A 115 7.272 17.985 2.577 1.00 33.51 O ATOM 1953 CB ASP A 115 10.550 18.313 1.774 1.00 3.32 C ATOM 1954 CG ASP A 115 11.725 17.371 1.598 1.00 43.44 C ATOM 1955 OD1 ASP A 115 12.283 17.306 0.484 1.00 51.51 O ATOM 1956 OD2 ASP A 115 12.096 16.684 2.575 1.00 32.41 O ATOM 0 H ASP A 115 10.140 18.097 -0.663 1.00 42.32 H new ATOM 0 HA ASP A 115 9.141 16.695 1.519 1.00 73.11 H new ATOM 0 HB2 ASP A 115 10.769 19.258 1.278 1.00 3.32 H new ATOM 0 HB3 ASP A 115 10.420 18.532 2.834 1.00 3.32 H new ATOM 1961 N ASP A 116 7.907 19.779 1.376 1.00 11.24 N ATOM 1962 CA ASP A 116 6.798 20.629 1.835 1.00 4.41 C ATOM 1963 C ASP A 116 5.421 19.973 1.589 1.00 70.12 C ATOM 1964 O ASP A 116 4.592 19.886 2.500 1.00 72.13 O ATOM 1965 CB ASP A 116 6.875 22.004 1.157 1.00 51.23 C ATOM 1966 CG ASP A 116 7.191 21.904 -0.326 1.00 63.10 C ATOM 1967 OD1 ASP A 116 6.270 21.632 -1.124 1.00 13.53 O ATOM 1968 OD2 ASP A 116 8.368 22.083 -0.697 1.00 61.51 O ATOM 0 H ASP A 116 8.547 20.240 0.729 1.00 11.24 H new ATOM 0 HA ASP A 116 6.901 20.755 2.913 1.00 4.41 H new ATOM 0 HB2 ASP A 116 5.926 22.524 1.289 1.00 51.23 H new ATOM 0 HB3 ASP A 116 7.640 22.606 1.648 1.00 51.23 H new ATOM 1973 N ARG A 117 5.190 19.505 0.361 1.00 23.02 N ATOM 1974 CA ARG A 117 3.934 18.825 0.002 1.00 72.03 C ATOM 1975 C ARG A 117 3.718 17.538 0.821 1.00 11.33 C ATOM 1976 O ARG A 117 2.583 17.097 1.013 1.00 3.34 O ATOM 1977 CB ARG A 117 3.915 18.517 -1.504 1.00 14.21 C ATOM 1978 CG ARG A 117 3.862 19.772 -2.379 1.00 1.22 C ATOM 1979 CD ARG A 117 4.074 19.460 -3.858 1.00 62.20 C ATOM 1980 NE ARG A 117 3.048 18.578 -4.406 1.00 15.34 N ATOM 1981 CZ ARG A 117 3.153 17.959 -5.551 1.00 15.10 C ATOM 1982 NH1 ARG A 117 4.232 18.051 -6.257 1.00 21.13 N ATOM 1983 NH2 ARG A 117 2.182 17.229 -5.980 1.00 13.05 N ATOM 0 H ARG A 117 5.856 19.583 -0.408 1.00 23.02 H new ATOM 0 HA ARG A 117 3.112 19.499 0.242 1.00 72.03 H new ATOM 0 HB2 ARG A 117 4.804 17.941 -1.761 1.00 14.21 H new ATOM 0 HB3 ARG A 117 3.052 17.890 -1.728 1.00 14.21 H new ATOM 0 HG2 ARG A 117 2.897 20.262 -2.249 1.00 1.22 H new ATOM 0 HG3 ARG A 117 4.625 20.476 -2.046 1.00 1.22 H new ATOM 0 HD2 ARG A 117 4.084 20.392 -4.423 1.00 62.20 H new ATOM 0 HD3 ARG A 117 5.052 18.997 -3.990 1.00 62.20 H new ATOM 0 HE ARG A 117 2.197 18.437 -3.861 1.00 15.34 H new ATOM 0 HH11 ARG A 117 5.015 18.612 -5.921 1.00 21.13 H new ATOM 0 HH12 ARG A 117 4.301 17.562 -7.150 1.00 21.13 H new ATOM 0 HH21 ARG A 117 1.331 17.135 -5.425 1.00 13.05 H new ATOM 0 HH22 ARG A 117 2.264 16.746 -6.874 1.00 13.05 H new ATOM 1997 N ARG A 118 4.807 16.933 1.299 1.00 60.53 N ATOM 1998 CA ARG A 118 4.712 15.767 2.187 1.00 25.33 C ATOM 1999 C ARG A 118 4.425 16.193 3.634 1.00 65.42 C ATOM 2000 O ARG A 118 3.664 15.537 4.340 1.00 73.41 O ATOM 2001 CB ARG A 118 6.000 14.931 2.145 1.00 10.12 C ATOM 2002 CG ARG A 118 6.342 14.397 0.760 1.00 12.03 C ATOM 2003 CD ARG A 118 7.516 13.420 0.786 1.00 41.31 C ATOM 2004 NE ARG A 118 8.664 13.934 1.533 1.00 23.02 N ATOM 2005 CZ ARG A 118 9.882 13.997 1.067 1.00 1.00 C ATOM 2006 NH1 ARG A 118 10.145 13.653 -0.152 1.00 45.21 N ATOM 2007 NH2 ARG A 118 10.836 14.411 1.827 1.00 44.11 N ATOM 0 H ARG A 118 5.761 17.227 1.089 1.00 60.53 H new ATOM 0 HA ARG A 118 3.883 15.157 1.828 1.00 25.33 H new ATOM 0 HB2 ARG A 118 6.829 15.540 2.504 1.00 10.12 H new ATOM 0 HB3 ARG A 118 5.900 14.092 2.833 1.00 10.12 H new ATOM 0 HG2 ARG A 118 5.468 13.899 0.339 1.00 12.03 H new ATOM 0 HG3 ARG A 118 6.582 15.231 0.101 1.00 12.03 H new ATOM 0 HD2 ARG A 118 7.190 12.480 1.231 1.00 41.31 H new ATOM 0 HD3 ARG A 118 7.823 13.200 -0.237 1.00 41.31 H new ATOM 0 HE ARG A 118 8.502 14.266 2.484 1.00 23.02 H new ATOM 0 HH11 ARG A 118 9.396 13.327 -0.763 1.00 45.21 H new ATOM 0 HH12 ARG A 118 11.101 13.708 -0.502 1.00 45.21 H new ATOM 0 HH21 ARG A 118 10.638 14.688 2.789 1.00 44.11 H new ATOM 0 HH22 ARG A 118 11.789 14.462 1.467 1.00 44.11 H new ATOM 2021 N LYS A 119 5.028 17.301 4.063 1.00 43.02 N ATOM 2022 CA LYS A 119 4.866 17.795 5.439 1.00 50.33 C ATOM 2023 C LYS A 119 3.404 18.157 5.740 1.00 21.02 C ATOM 2024 O LYS A 119 2.850 17.741 6.762 1.00 3.31 O ATOM 2025 CB LYS A 119 5.782 19.005 5.687 1.00 54.22 C ATOM 2026 CG LYS A 119 5.653 19.613 7.086 1.00 13.24 C ATOM 2027 CD LYS A 119 5.843 18.570 8.189 1.00 21.21 C ATOM 2028 CE LYS A 119 7.239 17.961 8.178 1.00 61.54 C ATOM 2029 NZ LYS A 119 7.349 16.821 9.127 1.00 44.25 N ATOM 0 H LYS A 119 5.635 17.878 3.480 1.00 43.02 H new ATOM 0 HA LYS A 119 5.154 16.991 6.116 1.00 50.33 H new ATOM 0 HB2 LYS A 119 6.817 18.702 5.529 1.00 54.22 H new ATOM 0 HB3 LYS A 119 5.559 19.773 4.947 1.00 54.22 H new ATOM 0 HG2 LYS A 119 6.392 20.405 7.206 1.00 13.24 H new ATOM 0 HG3 LYS A 119 4.671 20.075 7.190 1.00 13.24 H new ATOM 0 HD2 LYS A 119 5.659 19.033 9.159 1.00 21.21 H new ATOM 0 HD3 LYS A 119 5.103 17.779 8.068 1.00 21.21 H new ATOM 0 HE2 LYS A 119 7.480 17.621 7.171 1.00 61.54 H new ATOM 0 HE3 LYS A 119 7.971 18.725 8.440 1.00 61.54 H new ATOM 0 HZ1 LYS A 119 8.338 16.715 9.429 1.00 44.25 H new ATOM 0 HZ2 LYS A 119 6.751 17.002 9.958 1.00 44.25 H new ATOM 0 HZ3 LYS A 119 7.035 15.947 8.658 1.00 44.25 H new ATOM 2043 N GLU A 120 2.782 18.928 4.851 1.00 74.32 N ATOM 2044 CA GLU A 120 1.363 19.273 5.000 1.00 42.52 C ATOM 2045 C GLU A 120 0.491 18.005 4.990 1.00 74.05 C ATOM 2046 O GLU A 120 -0.548 17.943 5.651 1.00 55.40 O ATOM 2047 CB GLU A 120 0.918 20.233 3.888 1.00 61.40 C ATOM 2048 CG GLU A 120 1.030 19.651 2.481 1.00 11.33 C ATOM 2049 CD GLU A 120 0.551 20.615 1.406 1.00 64.34 C ATOM 2050 OE1 GLU A 120 -0.680 20.800 1.273 1.00 10.20 O ATOM 2051 OE2 GLU A 120 1.399 21.191 0.690 1.00 70.43 O ATOM 0 H GLU A 120 3.230 19.325 4.025 1.00 74.32 H new ATOM 0 HA GLU A 120 1.236 19.773 5.960 1.00 42.52 H new ATOM 0 HB2 GLU A 120 -0.117 20.525 4.067 1.00 61.40 H new ATOM 0 HB3 GLU A 120 1.520 21.140 3.943 1.00 61.40 H new ATOM 0 HG2 GLU A 120 2.068 19.382 2.285 1.00 11.33 H new ATOM 0 HG3 GLU A 120 0.447 18.732 2.425 1.00 11.33 H new ATOM 2058 N ALA A 121 0.940 16.993 4.246 1.00 35.04 N ATOM 2059 CA ALA A 121 0.252 15.702 4.192 1.00 0.35 C ATOM 2060 C ALA A 121 0.383 14.942 5.523 1.00 1.11 C ATOM 2061 O ALA A 121 -0.585 14.361 6.008 1.00 60.13 O ATOM 2062 CB ALA A 121 0.790 14.864 3.036 1.00 32.25 C ATOM 0 H ALA A 121 1.781 17.043 3.670 1.00 35.04 H new ATOM 0 HA ALA A 121 -0.808 15.890 4.023 1.00 0.35 H new ATOM 0 HB1 ALA A 121 0.270 13.907 3.008 1.00 32.25 H new ATOM 0 HB2 ALA A 121 0.628 15.393 2.097 1.00 32.25 H new ATOM 0 HB3 ALA A 121 1.857 14.693 3.177 1.00 32.25 H new ATOM 2068 N GLN A 122 1.582 14.957 6.116 1.00 42.12 N ATOM 2069 CA GLN A 122 1.795 14.364 7.447 1.00 54.32 C ATOM 2070 C GLN A 122 0.860 15.017 8.469 1.00 10.25 C ATOM 2071 O GLN A 122 0.186 14.338 9.241 1.00 51.21 O ATOM 2072 CB GLN A 122 3.250 14.546 7.906 1.00 54.12 C ATOM 2073 CG GLN A 122 4.285 13.939 6.970 1.00 24.11 C ATOM 2074 CD GLN A 122 5.706 14.119 7.474 1.00 33.32 C ATOM 2075 OE1 GLN A 122 6.359 15.118 7.189 1.00 73.10 O ATOM 2076 NE2 GLN A 122 6.197 13.159 8.229 1.00 31.24 N ATOM 0 H GLN A 122 2.417 15.370 5.701 1.00 42.12 H new ATOM 0 HA GLN A 122 1.579 13.298 7.377 1.00 54.32 H new ATOM 0 HB2 GLN A 122 3.454 15.611 8.012 1.00 54.12 H new ATOM 0 HB3 GLN A 122 3.365 14.100 8.894 1.00 54.12 H new ATOM 0 HG2 GLN A 122 4.079 12.876 6.847 1.00 24.11 H new ATOM 0 HG3 GLN A 122 4.192 14.397 5.985 1.00 24.11 H new ATOM 0 HE21 GLN A 122 5.628 12.341 8.448 1.00 31.24 H new ATOM 0 HE22 GLN A 122 7.146 13.233 8.595 1.00 31.24 H new ATOM 2085 N GLN A 123 0.828 16.346 8.448 1.00 60.22 N ATOM 2086 CA GLN A 123 -0.063 17.137 9.303 1.00 41.15 C ATOM 2087 C GLN A 123 -1.531 16.687 9.166 1.00 44.44 C ATOM 2088 O GLN A 123 -2.295 16.720 10.132 1.00 44.34 O ATOM 2089 CB GLN A 123 0.110 18.631 8.945 1.00 11.41 C ATOM 2090 CG GLN A 123 -0.870 19.596 9.626 1.00 64.20 C ATOM 2091 CD GLN A 123 -2.228 19.698 8.933 1.00 50.42 C ATOM 2092 OE1 GLN A 123 -2.256 19.564 7.620 1.00 64.21 O flip ATOM 2093 NE2 GLN A 123 -3.248 19.921 9.576 1.00 70.44 N flip ATOM 0 H GLN A 123 1.419 16.910 7.837 1.00 60.22 H new ATOM 0 HA GLN A 123 0.206 16.981 10.348 1.00 41.15 H new ATOM 0 HB2 GLN A 123 1.126 18.932 9.202 1.00 11.41 H new ATOM 0 HB3 GLN A 123 0.009 18.741 7.865 1.00 11.41 H new ATOM 0 HG2 GLN A 123 -1.023 19.274 10.656 1.00 64.20 H new ATOM 0 HG3 GLN A 123 -0.419 20.587 9.665 1.00 64.20 H new ATOM 0 HE21 GLN A 123 -3.200 20.020 10.590 1.00 70.44 H new ATOM 0 HE22 GLN A 123 -4.144 20.007 9.097 1.00 70.44 H new ATOM 2102 N GLU A 124 -1.912 16.255 7.966 1.00 4.50 N ATOM 2103 CA GLU A 124 -3.288 15.819 7.698 1.00 63.11 C ATOM 2104 C GLU A 124 -3.524 14.344 8.096 1.00 74.31 C ATOM 2105 O GLU A 124 -4.464 14.033 8.825 1.00 63.25 O ATOM 2106 CB GLU A 124 -3.613 16.013 6.206 1.00 44.33 C ATOM 2107 CG GLU A 124 -5.054 15.669 5.824 1.00 41.02 C ATOM 2108 CD GLU A 124 -6.076 16.639 6.408 1.00 41.23 C ATOM 2109 OE1 GLU A 124 -6.379 17.660 5.752 1.00 52.42 O ATOM 2110 OE2 GLU A 124 -6.584 16.391 7.523 1.00 63.42 O ATOM 0 H GLU A 124 -1.289 16.196 7.160 1.00 4.50 H new ATOM 0 HA GLU A 124 -3.950 16.432 8.309 1.00 63.11 H new ATOM 0 HB2 GLU A 124 -3.416 17.050 5.935 1.00 44.33 H new ATOM 0 HB3 GLU A 124 -2.936 15.395 5.616 1.00 44.33 H new ATOM 0 HG2 GLU A 124 -5.145 15.666 4.738 1.00 41.02 H new ATOM 0 HG3 GLU A 124 -5.283 14.660 6.166 1.00 41.02 H new ATOM 2117 N PHE A 125 -2.661 13.441 7.628 1.00 60.13 N ATOM 2118 CA PHE A 125 -2.891 11.994 7.789 1.00 72.03 C ATOM 2119 C PHE A 125 -2.453 11.462 9.166 1.00 44.45 C ATOM 2120 O PHE A 125 -3.041 10.505 9.677 1.00 52.11 O ATOM 2121 CB PHE A 125 -2.165 11.212 6.683 1.00 22.42 C ATOM 2122 CG PHE A 125 -2.630 11.555 5.287 1.00 34.14 C ATOM 2123 CD1 PHE A 125 -3.950 11.347 4.913 1.00 4.34 C ATOM 2124 CD2 PHE A 125 -1.749 12.084 4.352 1.00 24.43 C ATOM 2125 CE1 PHE A 125 -4.382 11.660 3.638 1.00 4.32 C ATOM 2126 CE2 PHE A 125 -2.176 12.396 3.075 1.00 25.20 C ATOM 2127 CZ PHE A 125 -3.494 12.185 2.719 1.00 71.34 C ATOM 0 H PHE A 125 -1.799 13.678 7.136 1.00 60.13 H new ATOM 0 HA PHE A 125 -3.968 11.844 7.712 1.00 72.03 H new ATOM 0 HB2 PHE A 125 -1.095 11.405 6.757 1.00 22.42 H new ATOM 0 HB3 PHE A 125 -2.309 10.145 6.852 1.00 22.42 H new ATOM 0 HD1 PHE A 125 -4.648 10.936 5.627 1.00 4.34 H new ATOM 0 HD2 PHE A 125 -0.718 12.253 4.626 1.00 24.43 H new ATOM 0 HE1 PHE A 125 -5.412 11.494 3.360 1.00 4.32 H new ATOM 0 HE2 PHE A 125 -1.480 12.804 2.357 1.00 25.20 H new ATOM 0 HZ PHE A 125 -3.830 12.430 1.722 1.00 71.34 H new ATOM 2137 N ARG A 126 -1.431 12.072 9.768 1.00 75.42 N ATOM 2138 CA ARG A 126 -0.942 11.627 11.081 1.00 14.32 C ATOM 2139 C ARG A 126 -2.047 11.781 12.135 1.00 43.45 C ATOM 2140 O ARG A 126 -2.315 12.881 12.622 1.00 22.15 O ATOM 2141 CB ARG A 126 0.323 12.417 11.483 1.00 21.32 C ATOM 2142 CG ARG A 126 1.189 11.762 12.571 1.00 22.41 C ATOM 2143 CD ARG A 126 0.519 11.745 13.946 1.00 44.32 C ATOM 2144 NE ARG A 126 0.000 13.062 14.318 1.00 40.14 N ATOM 2145 CZ ARG A 126 0.342 13.720 15.392 1.00 64.31 C ATOM 2146 NH1 ARG A 126 1.225 13.250 16.210 1.00 51.24 N ATOM 2147 NH2 ARG A 126 -0.204 14.863 15.639 1.00 33.21 N ATOM 0 H ARG A 126 -0.928 12.868 9.375 1.00 75.42 H new ATOM 0 HA ARG A 126 -0.673 10.573 11.019 1.00 14.32 H new ATOM 0 HB2 ARG A 126 0.936 12.565 10.594 1.00 21.32 H new ATOM 0 HB3 ARG A 126 0.019 13.405 11.829 1.00 21.32 H new ATOM 0 HG2 ARG A 126 1.421 10.739 12.275 1.00 22.41 H new ATOM 0 HG3 ARG A 126 2.137 12.296 12.642 1.00 22.41 H new ATOM 0 HD2 ARG A 126 -0.296 11.021 13.943 1.00 44.32 H new ATOM 0 HD3 ARG A 126 1.237 11.413 14.696 1.00 44.32 H new ATOM 0 HE ARG A 126 -0.678 13.497 13.693 1.00 40.14 H new ATOM 0 HH11 ARG A 126 1.667 12.351 16.021 1.00 51.24 H new ATOM 0 HH12 ARG A 126 1.480 13.779 17.044 1.00 51.24 H new ATOM 0 HH21 ARG A 126 -0.898 15.246 14.997 1.00 33.21 H new ATOM 0 HH22 ARG A 126 0.058 15.383 16.476 1.00 33.21 H new ATOM 2161 N SER A 127 -2.690 10.668 12.470 1.00 5.12 N ATOM 2162 CA SER A 127 -3.804 10.663 13.428 1.00 3.51 C ATOM 2163 C SER A 127 -3.559 9.648 14.552 1.00 31.34 C ATOM 2164 O SER A 127 -2.523 8.981 14.588 1.00 63.33 O ATOM 2165 CB SER A 127 -5.120 10.334 12.703 1.00 1.41 C ATOM 2166 OG SER A 127 -5.367 11.241 11.636 1.00 32.22 O ATOM 0 H SER A 127 -2.461 9.748 12.093 1.00 5.12 H new ATOM 0 HA SER A 127 -3.875 11.656 13.873 1.00 3.51 H new ATOM 0 HB2 SER A 127 -5.078 9.316 12.315 1.00 1.41 H new ATOM 0 HB3 SER A 127 -5.947 10.371 13.412 1.00 1.41 H new ATOM 0 HG SER A 127 -4.692 11.115 10.937 1.00 32.22 H new ATOM 2172 N ASP A 128 -4.522 9.527 15.463 1.00 63.03 N ATOM 2173 CA ASP A 128 -4.419 8.589 16.585 1.00 14.22 C ATOM 2174 C ASP A 128 -4.253 7.136 16.092 1.00 23.31 C ATOM 2175 O ASP A 128 -5.051 6.646 15.292 1.00 51.40 O ATOM 2176 CB ASP A 128 -5.659 8.715 17.477 1.00 73.41 C ATOM 2177 CG ASP A 128 -6.944 8.414 16.725 1.00 2.44 C ATOM 2178 OD1 ASP A 128 -7.343 9.227 15.867 1.00 25.34 O ATOM 2179 OD2 ASP A 128 -7.546 7.349 16.963 1.00 63.11 O ATOM 0 H ASP A 128 -5.387 10.068 15.448 1.00 63.03 H new ATOM 0 HA ASP A 128 -3.531 8.842 17.164 1.00 14.22 H new ATOM 0 HB2 ASP A 128 -5.567 8.032 18.322 1.00 73.41 H new ATOM 0 HB3 ASP A 128 -5.708 9.724 17.886 1.00 73.41 H new ATOM 2184 N GLY A 129 -3.199 6.464 16.553 1.00 55.11 N ATOM 2185 CA GLY A 129 -2.945 5.082 16.146 1.00 51.32 C ATOM 2186 C GLY A 129 -2.542 4.948 14.677 1.00 22.04 C ATOM 2187 O GLY A 129 -2.567 3.852 14.113 1.00 30.32 O ATOM 0 H GLY A 129 -2.513 6.849 17.202 1.00 55.11 H new ATOM 0 HA2 GLY A 129 -2.155 4.666 16.772 1.00 51.32 H new ATOM 0 HA3 GLY A 129 -3.841 4.487 16.325 1.00 51.32 H new ATOM 2191 N VAL A 130 -2.170 6.067 14.056 1.00 70.31 N ATOM 2192 CA VAL A 130 -1.754 6.081 12.649 1.00 41.20 C ATOM 2193 C VAL A 130 -0.293 6.535 12.507 1.00 41.01 C ATOM 2194 O VAL A 130 0.082 7.608 12.986 1.00 65.41 O ATOM 2195 CB VAL A 130 -2.660 7.013 11.803 1.00 41.13 C ATOM 2196 CG1 VAL A 130 -2.231 7.014 10.334 1.00 61.22 C ATOM 2197 CG2 VAL A 130 -4.129 6.610 11.941 1.00 65.21 C ATOM 0 H VAL A 130 -2.147 6.982 14.506 1.00 70.31 H new ATOM 0 HA VAL A 130 -1.850 5.060 12.279 1.00 41.20 H new ATOM 0 HB VAL A 130 -2.547 8.028 12.184 1.00 41.13 H new ATOM 0 HG11 VAL A 130 -2.884 7.676 9.765 1.00 61.22 H new ATOM 0 HG12 VAL A 130 -1.202 7.364 10.256 1.00 61.22 H new ATOM 0 HG13 VAL A 130 -2.302 6.003 9.934 1.00 61.22 H new ATOM 0 HG21 VAL A 130 -4.747 7.277 11.340 1.00 65.21 H new ATOM 0 HG22 VAL A 130 -4.259 5.584 11.596 1.00 65.21 H new ATOM 0 HG23 VAL A 130 -4.429 6.681 12.986 1.00 65.21 H new ATOM 2207 N ASP A 131 0.526 5.713 11.857 1.00 55.50 N ATOM 2208 CA ASP A 131 1.936 6.042 11.624 1.00 12.13 C ATOM 2209 C ASP A 131 2.148 6.489 10.167 1.00 41.13 C ATOM 2210 O ASP A 131 1.747 5.793 9.236 1.00 12.32 O ATOM 2211 CB ASP A 131 2.817 4.824 11.945 1.00 22.31 C ATOM 2212 CG ASP A 131 4.223 5.223 12.362 1.00 75.42 C ATOM 2213 OD1 ASP A 131 4.369 5.867 13.423 1.00 33.23 O ATOM 2214 OD2 ASP A 131 5.190 4.892 11.650 1.00 32.25 O ATOM 0 H ASP A 131 0.239 4.810 11.479 1.00 55.50 H new ATOM 0 HA ASP A 131 2.220 6.865 12.280 1.00 12.13 H new ATOM 0 HB2 ASP A 131 2.354 4.244 12.744 1.00 22.31 H new ATOM 0 HB3 ASP A 131 2.870 4.176 11.070 1.00 22.31 H new ATOM 2219 N VAL A 132 2.773 7.650 9.969 1.00 14.12 N ATOM 2220 CA VAL A 132 2.971 8.203 8.617 1.00 10.34 C ATOM 2221 C VAL A 132 4.459 8.389 8.289 1.00 43.32 C ATOM 2222 O VAL A 132 5.182 9.085 9.004 1.00 70.33 O ATOM 2223 CB VAL A 132 2.244 9.565 8.453 1.00 41.42 C ATOM 2224 CG1 VAL A 132 2.435 10.127 7.042 1.00 51.54 C ATOM 2225 CG2 VAL A 132 0.758 9.423 8.781 1.00 41.34 C ATOM 0 H VAL A 132 3.151 8.228 10.720 1.00 14.12 H new ATOM 0 HA VAL A 132 2.545 7.479 7.922 1.00 10.34 H new ATOM 0 HB VAL A 132 2.687 10.270 9.156 1.00 41.42 H new ATOM 0 HG11 VAL A 132 1.915 11.081 6.957 1.00 51.54 H new ATOM 0 HG12 VAL A 132 3.498 10.275 6.850 1.00 51.54 H new ATOM 0 HG13 VAL A 132 2.029 9.426 6.313 1.00 51.54 H new ATOM 0 HG21 VAL A 132 0.265 10.388 8.661 1.00 41.34 H new ATOM 0 HG22 VAL A 132 0.304 8.697 8.107 1.00 41.34 H new ATOM 0 HG23 VAL A 132 0.643 9.083 9.810 1.00 41.34 H new ATOM 2235 N ARG A 133 4.911 7.768 7.198 1.00 44.23 N ATOM 2236 CA ARG A 133 6.303 7.900 6.747 1.00 15.30 C ATOM 2237 C ARG A 133 6.367 8.453 5.317 1.00 1.14 C ATOM 2238 O ARG A 133 5.862 7.840 4.373 1.00 54.21 O ATOM 2239 CB ARG A 133 7.024 6.546 6.823 1.00 42.04 C ATOM 2240 CG ARG A 133 6.998 5.931 8.218 1.00 32.54 C ATOM 2241 CD ARG A 133 7.722 6.799 9.244 1.00 52.02 C ATOM 2242 NE ARG A 133 7.183 6.608 10.588 1.00 53.21 N ATOM 2243 CZ ARG A 133 7.343 7.449 11.570 1.00 72.55 C ATOM 2244 NH1 ARG A 133 8.078 8.507 11.422 1.00 73.21 N ATOM 2245 NH2 ARG A 133 6.765 7.225 12.706 1.00 55.23 N ATOM 0 H ARG A 133 4.335 7.168 6.608 1.00 44.23 H new ATOM 0 HA ARG A 133 6.806 8.604 7.410 1.00 15.30 H new ATOM 0 HB2 ARG A 133 6.561 5.855 6.119 1.00 42.04 H new ATOM 0 HB3 ARG A 133 8.060 6.675 6.509 1.00 42.04 H new ATOM 0 HG2 ARG A 133 5.964 5.788 8.531 1.00 32.54 H new ATOM 0 HG3 ARG A 133 7.461 4.945 8.187 1.00 32.54 H new ATOM 0 HD2 ARG A 133 8.785 6.557 9.240 1.00 52.02 H new ATOM 0 HD3 ARG A 133 7.633 7.848 8.961 1.00 52.02 H new ATOM 0 HE ARG A 133 6.646 5.760 10.770 1.00 53.21 H new ATOM 0 HH11 ARG A 133 8.538 8.688 10.530 1.00 73.21 H new ATOM 0 HH12 ARG A 133 8.196 9.159 12.198 1.00 73.21 H new ATOM 0 HH21 ARG A 133 6.188 6.393 12.829 1.00 55.23 H new ATOM 0 HH22 ARG A 133 6.887 7.880 13.478 1.00 55.23 H new ATOM 2259 N THR A 134 6.984 9.620 5.169 1.00 61.35 N ATOM 2260 CA THR A 134 7.109 10.278 3.865 1.00 24.30 C ATOM 2261 C THR A 134 8.543 10.198 3.334 1.00 52.30 C ATOM 2262 O THR A 134 9.470 10.738 3.938 1.00 23.20 O ATOM 2263 CB THR A 134 6.700 11.766 3.945 1.00 23.10 C ATOM 2264 OG1 THR A 134 7.619 12.498 4.776 1.00 62.24 O ATOM 2265 CG2 THR A 134 5.293 11.917 4.501 1.00 1.30 C ATOM 0 H THR A 134 7.409 10.136 5.939 1.00 61.35 H new ATOM 0 HA THR A 134 6.439 9.751 3.186 1.00 24.30 H new ATOM 0 HB THR A 134 6.725 12.169 2.933 1.00 23.10 H new ATOM 0 HG1 THR A 134 8.524 12.142 4.656 1.00 62.24 H new ATOM 0 HG21 THR A 134 5.031 12.974 4.546 1.00 1.30 H new ATOM 0 HG22 THR A 134 4.588 11.396 3.853 1.00 1.30 H new ATOM 0 HG23 THR A 134 5.250 11.489 5.503 1.00 1.30 H new ATOM 2273 N VAL A 135 8.723 9.518 2.204 1.00 52.15 N ATOM 2274 CA VAL A 135 10.052 9.358 1.599 1.00 41.12 C ATOM 2275 C VAL A 135 10.020 9.638 0.087 1.00 1.43 C ATOM 2276 O VAL A 135 8.988 9.478 -0.564 1.00 63.22 O ATOM 2277 CB VAL A 135 10.608 7.927 1.839 1.00 30.21 C ATOM 2278 CG1 VAL A 135 10.732 7.633 3.335 1.00 53.12 C ATOM 2279 CG2 VAL A 135 9.729 6.883 1.153 1.00 4.30 C ATOM 0 H VAL A 135 7.969 9.068 1.686 1.00 52.15 H new ATOM 0 HA VAL A 135 10.707 10.085 2.080 1.00 41.12 H new ATOM 0 HB VAL A 135 11.605 7.874 1.401 1.00 30.21 H new ATOM 0 HG11 VAL A 135 11.123 6.626 3.477 1.00 53.12 H new ATOM 0 HG12 VAL A 135 11.410 8.353 3.792 1.00 53.12 H new ATOM 0 HG13 VAL A 135 9.751 7.710 3.804 1.00 53.12 H new ATOM 0 HG21 VAL A 135 10.137 5.888 1.334 1.00 4.30 H new ATOM 0 HG22 VAL A 135 8.717 6.939 1.554 1.00 4.30 H new ATOM 0 HG23 VAL A 135 9.705 7.076 0.080 1.00 4.30 H new ATOM 2289 N SER A 136 11.147 10.079 -0.459 1.00 61.41 N ATOM 2290 CA SER A 136 11.293 10.260 -1.912 1.00 41.15 C ATOM 2291 C SER A 136 12.226 9.194 -2.499 1.00 60.44 C ATOM 2292 O SER A 136 12.123 8.835 -3.673 1.00 23.00 O ATOM 2293 CB SER A 136 11.846 11.655 -2.238 1.00 15.24 C ATOM 2294 OG SER A 136 11.957 11.852 -3.641 1.00 61.40 O ATOM 0 H SER A 136 11.980 10.321 0.078 1.00 61.41 H new ATOM 0 HA SER A 136 10.304 10.157 -2.358 1.00 41.15 H new ATOM 0 HB2 SER A 136 11.192 12.416 -1.812 1.00 15.24 H new ATOM 0 HB3 SER A 136 12.824 11.779 -1.773 1.00 15.24 H new ATOM 0 HG SER A 136 12.310 12.749 -3.818 1.00 61.40 H new ATOM 2300 N ASP A 137 13.132 8.688 -1.665 1.00 3.14 N ATOM 2301 CA ASP A 137 14.098 7.667 -2.082 1.00 10.23 C ATOM 2302 C ASP A 137 13.478 6.260 -2.079 1.00 62.45 C ATOM 2303 O ASP A 137 12.560 5.970 -1.307 1.00 11.43 O ATOM 2304 CB ASP A 137 15.316 7.686 -1.154 1.00 30.32 C ATOM 2305 CG ASP A 137 16.062 9.005 -1.196 1.00 24.00 C ATOM 2306 OD1 ASP A 137 15.629 9.962 -0.520 1.00 4.40 O ATOM 2307 OD2 ASP A 137 17.090 9.091 -1.898 1.00 74.15 O ATOM 0 H ASP A 137 13.219 8.969 -0.689 1.00 3.14 H new ATOM 0 HA ASP A 137 14.403 7.903 -3.102 1.00 10.23 H new ATOM 0 HB2 ASP A 137 14.992 7.489 -0.132 1.00 30.32 H new ATOM 0 HB3 ASP A 137 15.994 6.880 -1.435 1.00 30.32 H new ATOM 2312 N LYS A 138 13.995 5.387 -2.938 1.00 71.54 N ATOM 2313 CA LYS A 138 13.540 3.996 -2.996 1.00 61.13 C ATOM 2314 C LYS A 138 13.948 3.232 -1.723 1.00 4.01 C ATOM 2315 O LYS A 138 13.103 2.668 -1.026 1.00 63.43 O ATOM 2316 CB LYS A 138 14.124 3.295 -4.233 1.00 35.13 C ATOM 2317 CG LYS A 138 13.587 1.880 -4.457 1.00 3.23 C ATOM 2318 CD LYS A 138 14.346 1.153 -5.566 1.00 73.23 C ATOM 2319 CE LYS A 138 15.798 0.891 -5.169 1.00 64.01 C ATOM 2320 NZ LYS A 138 16.571 0.218 -6.248 1.00 0.41 N ATOM 0 H LYS A 138 14.731 5.616 -3.606 1.00 71.54 H new ATOM 0 HA LYS A 138 12.452 3.999 -3.066 1.00 61.13 H new ATOM 0 HB2 LYS A 138 13.909 3.898 -5.115 1.00 35.13 H new ATOM 0 HB3 LYS A 138 15.209 3.250 -4.134 1.00 35.13 H new ATOM 0 HG2 LYS A 138 13.665 1.311 -3.530 1.00 3.23 H new ATOM 0 HG3 LYS A 138 12.529 1.929 -4.713 1.00 3.23 H new ATOM 0 HD2 LYS A 138 13.852 0.207 -5.788 1.00 73.23 H new ATOM 0 HD3 LYS A 138 14.319 1.749 -6.478 1.00 73.23 H new ATOM 0 HE2 LYS A 138 16.279 1.836 -4.917 1.00 64.01 H new ATOM 0 HE3 LYS A 138 15.820 0.273 -4.271 1.00 64.01 H new ATOM 0 HZ1 LYS A 138 17.549 0.063 -5.929 1.00 0.41 H new ATOM 0 HZ2 LYS A 138 16.130 -0.697 -6.472 1.00 0.41 H new ATOM 0 HZ3 LYS A 138 16.575 0.817 -7.098 1.00 0.41 H new ATOM 2334 N GLU A 139 15.245 3.248 -1.414 1.00 64.33 N ATOM 2335 CA GLU A 139 15.793 2.505 -0.276 1.00 54.54 C ATOM 2336 C GLU A 139 15.172 2.919 1.066 1.00 63.15 C ATOM 2337 O GLU A 139 15.061 2.098 1.978 1.00 72.24 O ATOM 2338 CB GLU A 139 17.316 2.672 -0.230 1.00 24.53 C ATOM 2339 CG GLU A 139 18.051 1.881 -1.308 1.00 31.23 C ATOM 2340 CD GLU A 139 17.773 0.387 -1.220 1.00 22.31 C ATOM 2341 OE1 GLU A 139 18.175 -0.236 -0.212 1.00 62.34 O ATOM 2342 OE2 GLU A 139 17.141 -0.163 -2.145 1.00 20.34 O ATOM 0 H GLU A 139 15.943 3.773 -1.941 1.00 64.33 H new ATOM 0 HA GLU A 139 15.538 1.456 -0.427 1.00 54.54 H new ATOM 0 HB2 GLU A 139 17.560 3.729 -0.337 1.00 24.53 H new ATOM 0 HB3 GLU A 139 17.678 2.358 0.749 1.00 24.53 H new ATOM 0 HG2 GLU A 139 17.752 2.246 -2.291 1.00 31.23 H new ATOM 0 HG3 GLU A 139 19.123 2.055 -1.215 1.00 31.23 H new ATOM 2349 N GLU A 140 14.777 4.183 1.193 1.00 2.02 N ATOM 2350 CA GLU A 140 14.085 4.653 2.399 1.00 11.21 C ATOM 2351 C GLU A 140 12.710 3.984 2.540 1.00 41.31 C ATOM 2352 O GLU A 140 12.279 3.646 3.646 1.00 10.43 O ATOM 2353 CB GLU A 140 13.937 6.181 2.376 1.00 70.32 C ATOM 2354 CG GLU A 140 15.255 6.931 2.554 1.00 33.50 C ATOM 2355 CD GLU A 140 15.960 6.589 3.863 1.00 42.01 C ATOM 2356 OE1 GLU A 140 15.499 7.046 4.932 1.00 3.33 O ATOM 2357 OE2 GLU A 140 16.979 5.867 3.829 1.00 62.22 O ATOM 0 H GLU A 140 14.921 4.900 0.482 1.00 2.02 H new ATOM 0 HA GLU A 140 14.689 4.375 3.263 1.00 11.21 H new ATOM 0 HB2 GLU A 140 13.485 6.479 1.430 1.00 70.32 H new ATOM 0 HB3 GLU A 140 13.249 6.482 3.166 1.00 70.32 H new ATOM 0 HG2 GLU A 140 15.916 6.697 1.719 1.00 33.50 H new ATOM 0 HG3 GLU A 140 15.065 8.004 2.519 1.00 33.50 H new ATOM 2364 N LEU A 141 12.032 3.778 1.412 1.00 41.32 N ATOM 2365 CA LEU A 141 10.737 3.095 1.409 1.00 22.13 C ATOM 2366 C LEU A 141 10.943 1.597 1.696 1.00 30.55 C ATOM 2367 O LEU A 141 10.241 1.004 2.519 1.00 11.22 O ATOM 2368 CB LEU A 141 10.031 3.307 0.055 1.00 55.20 C ATOM 2369 CG LEU A 141 8.486 3.321 0.092 1.00 72.41 C ATOM 2370 CD1 LEU A 141 7.915 3.607 -1.295 1.00 73.01 C ATOM 2371 CD2 LEU A 141 7.928 2.009 0.641 1.00 12.25 C ATOM 0 H LEU A 141 12.356 4.073 0.491 1.00 41.32 H new ATOM 0 HA LEU A 141 10.102 3.513 2.190 1.00 22.13 H new ATOM 0 HB2 LEU A 141 10.373 4.252 -0.367 1.00 55.20 H new ATOM 0 HB3 LEU A 141 10.351 2.519 -0.627 1.00 55.20 H new ATOM 0 HG LEU A 141 8.180 4.121 0.766 1.00 72.41 H new ATOM 0 HD11 LEU A 141 6.826 3.612 -1.246 1.00 73.01 H new ATOM 0 HD12 LEU A 141 8.267 4.579 -1.640 1.00 73.01 H new ATOM 0 HD13 LEU A 141 8.243 2.834 -1.990 1.00 73.01 H new ATOM 0 HD21 LEU A 141 6.839 2.054 0.653 1.00 12.25 H new ATOM 0 HD22 LEU A 141 8.250 1.183 0.007 1.00 12.25 H new ATOM 0 HD23 LEU A 141 8.296 1.853 1.655 1.00 12.25 H new ATOM 2383 N ILE A 142 11.930 1.001 1.022 1.00 11.22 N ATOM 2384 CA ILE A 142 12.310 -0.397 1.262 1.00 62.31 C ATOM 2385 C ILE A 142 12.662 -0.614 2.743 1.00 0.21 C ATOM 2386 O ILE A 142 12.266 -1.609 3.347 1.00 21.20 O ATOM 2387 CB ILE A 142 13.528 -0.820 0.391 1.00 74.20 C ATOM 2388 CG1 ILE A 142 13.252 -0.566 -1.102 1.00 72.15 C ATOM 2389 CG2 ILE A 142 13.882 -2.291 0.625 1.00 10.25 C ATOM 2390 CD1 ILE A 142 12.098 -1.375 -1.660 1.00 63.12 C ATOM 0 H ILE A 142 12.484 1.466 0.302 1.00 11.22 H new ATOM 0 HA ILE A 142 11.452 -1.011 0.989 1.00 62.31 H new ATOM 0 HB ILE A 142 14.380 -0.209 0.691 1.00 74.20 H new ATOM 0 HG12 ILE A 142 13.044 0.494 -1.248 1.00 72.15 H new ATOM 0 HG13 ILE A 142 14.152 -0.795 -1.672 1.00 72.15 H new ATOM 0 HG21 ILE A 142 14.736 -2.563 0.005 1.00 10.25 H new ATOM 0 HG22 ILE A 142 14.133 -2.442 1.675 1.00 10.25 H new ATOM 0 HG23 ILE A 142 13.029 -2.917 0.362 1.00 10.25 H new ATOM 0 HD11 ILE A 142 11.966 -1.140 -2.716 1.00 63.12 H new ATOM 0 HD12 ILE A 142 12.311 -2.438 -1.548 1.00 63.12 H new ATOM 0 HD13 ILE A 142 11.185 -1.129 -1.117 1.00 63.12 H new ATOM 2402 N GLU A 143 13.395 0.341 3.322 1.00 45.43 N ATOM 2403 CA GLU A 143 13.792 0.272 4.735 1.00 21.20 C ATOM 2404 C GLU A 143 12.573 0.098 5.649 1.00 42.22 C ATOM 2405 O GLU A 143 12.557 -0.784 6.504 1.00 41.14 O ATOM 2406 CB GLU A 143 14.583 1.532 5.148 1.00 44.11 C ATOM 2407 CG GLU A 143 16.033 1.254 5.539 1.00 12.00 C ATOM 2408 CD GLU A 143 16.161 0.261 6.688 1.00 33.11 C ATOM 2409 OE1 GLU A 143 16.056 0.671 7.863 1.00 33.21 O ATOM 2410 OE2 GLU A 143 16.363 -0.940 6.425 1.00 11.11 O ATOM 0 H GLU A 143 13.727 1.173 2.835 1.00 45.43 H new ATOM 0 HA GLU A 143 14.435 -0.600 4.849 1.00 21.20 H new ATOM 0 HB2 GLU A 143 14.570 2.244 4.322 1.00 44.11 H new ATOM 0 HB3 GLU A 143 14.076 2.008 5.987 1.00 44.11 H new ATOM 0 HG2 GLU A 143 16.570 0.869 4.672 1.00 12.00 H new ATOM 0 HG3 GLU A 143 16.513 2.191 5.821 1.00 12.00 H new ATOM 2417 N GLN A 144 11.556 0.937 5.459 1.00 10.10 N ATOM 2418 CA GLN A 144 10.322 0.848 6.254 1.00 52.43 C ATOM 2419 C GLN A 144 9.697 -0.557 6.166 1.00 43.51 C ATOM 2420 O GLN A 144 9.261 -1.121 7.175 1.00 44.31 O ATOM 2421 CB GLN A 144 9.306 1.904 5.794 1.00 65.02 C ATOM 2422 CG GLN A 144 9.796 3.349 5.907 1.00 4.33 C ATOM 2423 CD GLN A 144 10.385 3.674 7.272 1.00 53.22 C ATOM 2424 OE1 GLN A 144 9.671 4.021 8.206 1.00 14.04 O ATOM 2425 NE2 GLN A 144 11.697 3.610 7.391 1.00 13.02 N ATOM 0 H GLN A 144 11.557 1.685 4.765 1.00 10.10 H new ATOM 0 HA GLN A 144 10.587 1.038 7.294 1.00 52.43 H new ATOM 0 HB2 GLN A 144 9.039 1.705 4.756 1.00 65.02 H new ATOM 0 HB3 GLN A 144 8.396 1.795 6.384 1.00 65.02 H new ATOM 0 HG2 GLN A 144 10.549 3.532 5.140 1.00 4.33 H new ATOM 0 HG3 GLN A 144 8.965 4.025 5.706 1.00 4.33 H new ATOM 0 HE21 GLN A 144 12.267 3.318 6.597 1.00 13.02 H new ATOM 0 HE22 GLN A 144 12.141 3.853 8.277 1.00 13.02 H new ATOM 2434 N VAL A 145 9.664 -1.115 4.955 1.00 13.42 N ATOM 2435 CA VAL A 145 9.185 -2.487 4.733 1.00 31.52 C ATOM 2436 C VAL A 145 10.030 -3.502 5.520 1.00 42.44 C ATOM 2437 O VAL A 145 9.498 -4.379 6.208 1.00 23.13 O ATOM 2438 CB VAL A 145 9.220 -2.849 3.226 1.00 42.41 C ATOM 2439 CG1 VAL A 145 8.770 -4.292 2.992 1.00 62.21 C ATOM 2440 CG2 VAL A 145 8.363 -1.870 2.423 1.00 20.15 C ATOM 0 H VAL A 145 9.965 -0.637 4.106 1.00 13.42 H new ATOM 0 HA VAL A 145 8.155 -2.532 5.088 1.00 31.52 H new ATOM 0 HB VAL A 145 10.251 -2.767 2.881 1.00 42.41 H new ATOM 0 HG11 VAL A 145 8.805 -4.516 1.926 1.00 62.21 H new ATOM 0 HG12 VAL A 145 9.433 -4.971 3.528 1.00 62.21 H new ATOM 0 HG13 VAL A 145 7.750 -4.419 3.356 1.00 62.21 H new ATOM 0 HG21 VAL A 145 8.398 -2.137 1.367 1.00 20.15 H new ATOM 0 HG22 VAL A 145 7.332 -1.915 2.775 1.00 20.15 H new ATOM 0 HG23 VAL A 145 8.747 -0.858 2.554 1.00 20.15 H new ATOM 2450 N ARG A 146 11.349 -3.372 5.416 1.00 35.32 N ATOM 2451 CA ARG A 146 12.282 -4.215 6.170 1.00 64.50 C ATOM 2452 C ARG A 146 12.024 -4.087 7.682 1.00 3.15 C ATOM 2453 O ARG A 146 12.052 -5.073 8.417 1.00 13.32 O ATOM 2454 CB ARG A 146 13.728 -3.812 5.828 1.00 73.15 C ATOM 2455 CG ARG A 146 14.038 -3.886 4.333 1.00 54.44 C ATOM 2456 CD ARG A 146 15.309 -3.123 3.959 1.00 10.21 C ATOM 2457 NE ARG A 146 16.527 -3.759 4.456 1.00 35.55 N ATOM 2458 CZ ARG A 146 17.700 -3.180 4.467 1.00 23.42 C ATOM 2459 NH1 ARG A 146 17.832 -1.949 4.083 1.00 64.30 N ATOM 2460 NH2 ARG A 146 18.742 -3.837 4.864 1.00 43.45 N ATOM 0 H ARG A 146 11.803 -2.686 4.813 1.00 35.32 H new ATOM 0 HA ARG A 146 12.129 -5.258 5.891 1.00 64.50 H new ATOM 0 HB2 ARG A 146 13.908 -2.796 6.180 1.00 73.15 H new ATOM 0 HB3 ARG A 146 14.417 -4.462 6.368 1.00 73.15 H new ATOM 0 HG2 ARG A 146 14.145 -4.930 4.039 1.00 54.44 H new ATOM 0 HG3 ARG A 146 13.197 -3.481 3.771 1.00 54.44 H new ATOM 0 HD2 ARG A 146 15.368 -3.037 2.874 1.00 10.21 H new ATOM 0 HD3 ARG A 146 15.247 -2.110 4.356 1.00 10.21 H new ATOM 0 HE ARG A 146 16.459 -4.711 4.816 1.00 35.55 H new ATOM 0 HH11 ARG A 146 17.017 -1.423 3.769 1.00 64.30 H new ATOM 0 HH12 ARG A 146 18.751 -1.507 4.095 1.00 64.30 H new ATOM 0 HH21 ARG A 146 18.649 -4.806 5.168 1.00 43.45 H new ATOM 0 HH22 ARG A 146 19.657 -3.386 4.873 1.00 43.45 H new ATOM 2474 N ARG A 147 11.738 -2.862 8.127 1.00 31.22 N ATOM 2475 CA ARG A 147 11.438 -2.585 9.539 1.00 65.43 C ATOM 2476 C ARG A 147 10.119 -3.237 9.979 1.00 12.41 C ATOM 2477 O ARG A 147 9.952 -3.600 11.146 1.00 32.23 O ATOM 2478 CB ARG A 147 11.396 -1.075 9.782 1.00 14.43 C ATOM 2479 CG ARG A 147 12.733 -0.396 9.508 1.00 44.40 C ATOM 2480 CD ARG A 147 12.700 1.098 9.796 1.00 53.15 C ATOM 2481 NE ARG A 147 13.963 1.733 9.431 1.00 42.52 N ATOM 2482 CZ ARG A 147 14.294 2.959 9.723 1.00 30.23 C ATOM 2483 NH1 ARG A 147 13.475 3.734 10.361 1.00 22.42 N ATOM 2484 NH2 ARG A 147 15.453 3.408 9.359 1.00 61.04 N ATOM 0 H ARG A 147 11.707 -2.038 7.527 1.00 31.22 H new ATOM 0 HA ARG A 147 12.235 -3.022 10.141 1.00 65.43 H new ATOM 0 HB2 ARG A 147 10.631 -0.630 9.146 1.00 14.43 H new ATOM 0 HB3 ARG A 147 11.102 -0.886 10.814 1.00 14.43 H new ATOM 0 HG2 ARG A 147 13.506 -0.863 10.119 1.00 44.40 H new ATOM 0 HG3 ARG A 147 13.011 -0.555 8.466 1.00 44.40 H new ATOM 0 HD2 ARG A 147 11.884 1.560 9.241 1.00 53.15 H new ATOM 0 HD3 ARG A 147 12.499 1.263 10.855 1.00 53.15 H new ATOM 0 HE ARG A 147 14.637 1.175 8.908 1.00 42.52 H new ATOM 0 HH11 ARG A 147 12.558 3.387 10.641 1.00 22.42 H new ATOM 0 HH12 ARG A 147 13.747 4.692 10.583 1.00 22.42 H new ATOM 0 HH21 ARG A 147 16.097 2.803 8.849 1.00 61.04 H new ATOM 0 HH22 ARG A 147 15.722 4.366 9.583 1.00 61.04 H new ATOM 2498 N PHE A 148 9.177 -3.374 9.050 1.00 33.02 N ATOM 2499 CA PHE A 148 7.944 -4.120 9.315 1.00 74.10 C ATOM 2500 C PHE A 148 8.269 -5.579 9.672 1.00 23.02 C ATOM 2501 O PHE A 148 7.806 -6.107 10.683 1.00 74.04 O ATOM 2502 CB PHE A 148 7.008 -4.066 8.100 1.00 41.42 C ATOM 2503 CG PHE A 148 5.783 -4.938 8.238 1.00 14.11 C ATOM 2504 CD1 PHE A 148 4.709 -4.536 9.020 1.00 13.12 C ATOM 2505 CD2 PHE A 148 5.709 -6.163 7.589 1.00 62.21 C ATOM 2506 CE1 PHE A 148 3.591 -5.336 9.150 1.00 31.13 C ATOM 2507 CE2 PHE A 148 4.593 -6.965 7.715 1.00 51.43 C ATOM 2508 CZ PHE A 148 3.533 -6.553 8.496 1.00 51.23 C ATOM 0 H PHE A 148 9.240 -2.982 8.111 1.00 33.02 H new ATOM 0 HA PHE A 148 7.437 -3.657 10.162 1.00 74.10 H new ATOM 0 HB2 PHE A 148 6.693 -3.035 7.941 1.00 41.42 H new ATOM 0 HB3 PHE A 148 7.562 -4.371 7.212 1.00 41.42 H new ATOM 0 HD1 PHE A 148 4.748 -3.586 9.533 1.00 13.12 H new ATOM 0 HD2 PHE A 148 6.536 -6.493 6.977 1.00 62.21 H new ATOM 0 HE1 PHE A 148 2.762 -5.011 9.762 1.00 31.13 H new ATOM 0 HE2 PHE A 148 4.549 -7.915 7.202 1.00 51.43 H new ATOM 0 HZ PHE A 148 2.659 -7.180 8.596 1.00 51.23 H new ATOM 2518 N VAL A 149 9.079 -6.217 8.837 1.00 20.22 N ATOM 2519 CA VAL A 149 9.534 -7.587 9.095 1.00 13.55 C ATOM 2520 C VAL A 149 10.394 -7.665 10.374 1.00 74.23 C ATOM 2521 O VAL A 149 10.369 -8.666 11.086 1.00 14.44 O ATOM 2522 CB VAL A 149 10.333 -8.138 7.887 1.00 24.52 C ATOM 2523 CG1 VAL A 149 10.709 -9.607 8.093 1.00 44.54 C ATOM 2524 CG2 VAL A 149 9.534 -7.952 6.598 1.00 62.21 C ATOM 0 H VAL A 149 9.438 -5.811 7.973 1.00 20.22 H new ATOM 0 HA VAL A 149 8.646 -8.202 9.243 1.00 13.55 H new ATOM 0 HB VAL A 149 11.261 -7.573 7.804 1.00 24.52 H new ATOM 0 HG11 VAL A 149 11.269 -9.964 7.228 1.00 44.54 H new ATOM 0 HG12 VAL A 149 11.324 -9.703 8.988 1.00 44.54 H new ATOM 0 HG13 VAL A 149 9.803 -10.202 8.209 1.00 44.54 H new ATOM 0 HG21 VAL A 149 10.105 -8.343 5.756 1.00 62.21 H new ATOM 0 HG22 VAL A 149 8.589 -8.489 6.675 1.00 62.21 H new ATOM 0 HG23 VAL A 149 9.337 -6.891 6.442 1.00 62.21 H new ATOM 2534 N ARG A 150 11.138 -6.597 10.668 1.00 52.10 N ATOM 2535 CA ARG A 150 11.969 -6.540 11.883 1.00 75.41 C ATOM 2536 C ARG A 150 11.122 -6.445 13.169 1.00 13.44 C ATOM 2537 O ARG A 150 11.558 -6.884 14.234 1.00 75.33 O ATOM 2538 CB ARG A 150 12.945 -5.352 11.815 1.00 24.34 C ATOM 2539 CG ARG A 150 13.990 -5.467 10.706 1.00 75.25 C ATOM 2540 CD ARG A 150 14.843 -4.204 10.598 1.00 33.24 C ATOM 2541 NE ARG A 150 15.740 -4.239 9.442 1.00 73.33 N ATOM 2542 CZ ARG A 150 16.022 -3.202 8.693 1.00 14.54 C ATOM 2543 NH1 ARG A 150 15.534 -2.034 8.961 1.00 12.14 N ATOM 2544 NH2 ARG A 150 16.805 -3.336 7.678 1.00 54.42 N ATOM 0 H ARG A 150 11.186 -5.760 10.087 1.00 52.10 H new ATOM 0 HA ARG A 150 12.531 -7.473 11.925 1.00 75.41 H new ATOM 0 HB2 ARG A 150 12.375 -4.435 11.669 1.00 24.34 H new ATOM 0 HB3 ARG A 150 13.456 -5.260 12.773 1.00 24.34 H new ATOM 0 HG2 ARG A 150 14.634 -6.325 10.900 1.00 75.25 H new ATOM 0 HG3 ARG A 150 13.492 -5.652 9.754 1.00 75.25 H new ATOM 0 HD2 ARG A 150 14.192 -3.333 10.524 1.00 33.24 H new ATOM 0 HD3 ARG A 150 15.431 -4.086 11.508 1.00 33.24 H new ATOM 0 HE ARG A 150 16.175 -5.130 9.204 1.00 73.33 H new ATOM 0 HH11 ARG A 150 14.920 -1.910 9.766 1.00 12.14 H new ATOM 0 HH12 ARG A 150 15.764 -1.237 8.367 1.00 12.14 H new ATOM 0 HH21 ARG A 150 17.204 -4.249 7.459 1.00 54.42 H new ATOM 0 HH22 ARG A 150 17.025 -2.529 7.094 1.00 54.42 H new ATOM 2558 N LYS A 151 9.924 -5.857 13.077 1.00 4.44 N ATOM 2559 CA LYS A 151 9.032 -5.751 14.247 1.00 51.14 C ATOM 2560 C LYS A 151 8.131 -6.995 14.405 1.00 42.03 C ATOM 2561 O LYS A 151 7.890 -7.454 15.524 1.00 13.21 O ATOM 2562 CB LYS A 151 8.175 -4.466 14.183 1.00 10.24 C ATOM 2563 CG LYS A 151 7.329 -4.332 12.919 1.00 43.12 C ATOM 2564 CD LYS A 151 6.385 -3.126 12.956 1.00 45.04 C ATOM 2565 CE LYS A 151 7.124 -1.801 13.146 1.00 73.34 C ATOM 2566 NZ LYS A 151 8.170 -1.571 12.110 1.00 4.22 N ATOM 0 H LYS A 151 9.550 -5.451 12.219 1.00 4.44 H new ATOM 0 HA LYS A 151 9.673 -5.695 15.127 1.00 51.14 H new ATOM 0 HB2 LYS A 151 7.516 -4.440 15.051 1.00 10.24 H new ATOM 0 HB3 LYS A 151 8.834 -3.601 14.258 1.00 10.24 H new ATOM 0 HG2 LYS A 151 7.988 -4.244 12.055 1.00 43.12 H new ATOM 0 HG3 LYS A 151 6.743 -5.241 12.782 1.00 43.12 H new ATOM 0 HD2 LYS A 151 5.814 -3.089 12.028 1.00 45.04 H new ATOM 0 HD3 LYS A 151 5.668 -3.256 13.766 1.00 45.04 H new ATOM 0 HE2 LYS A 151 6.405 -0.982 13.119 1.00 73.34 H new ATOM 0 HE3 LYS A 151 7.587 -1.786 14.133 1.00 73.34 H new ATOM 0 HZ1 LYS A 151 8.639 -0.660 12.286 1.00 4.22 H new ATOM 0 HZ2 LYS A 151 8.873 -2.336 12.151 1.00 4.22 H new ATOM 0 HZ3 LYS A 151 7.729 -1.557 11.168 1.00 4.22 H new ATOM 2580 N VAL A 152 7.632 -7.542 13.289 1.00 72.44 N ATOM 2581 CA VAL A 152 6.759 -8.729 13.337 1.00 44.23 C ATOM 2582 C VAL A 152 7.571 -10.036 13.416 1.00 14.52 C ATOM 2583 O VAL A 152 7.185 -10.979 14.108 1.00 63.23 O ATOM 2584 CB VAL A 152 5.792 -8.792 12.121 1.00 75.55 C ATOM 2585 CG1 VAL A 152 4.940 -7.527 12.048 1.00 62.34 C ATOM 2586 CG2 VAL A 152 6.552 -9.010 10.812 1.00 54.33 C ATOM 0 H VAL A 152 7.813 -7.188 12.350 1.00 72.44 H new ATOM 0 HA VAL A 152 6.167 -8.629 14.246 1.00 44.23 H new ATOM 0 HB VAL A 152 5.132 -9.647 12.264 1.00 75.55 H new ATOM 0 HG11 VAL A 152 4.269 -7.589 11.191 1.00 62.34 H new ATOM 0 HG12 VAL A 152 4.353 -7.430 12.962 1.00 62.34 H new ATOM 0 HG13 VAL A 152 5.588 -6.657 11.939 1.00 62.34 H new ATOM 0 HG21 VAL A 152 5.845 -9.049 9.983 1.00 54.33 H new ATOM 0 HG22 VAL A 152 7.250 -8.188 10.655 1.00 54.33 H new ATOM 0 HG23 VAL A 152 7.103 -9.949 10.863 1.00 54.33 H new ATOM 2596 N GLY A 153 8.703 -10.086 12.714 1.00 3.50 N ATOM 2597 CA GLY A 153 9.571 -11.260 12.756 1.00 35.42 C ATOM 2598 C GLY A 153 10.592 -11.189 13.887 1.00 14.35 C ATOM 2599 O GLY A 153 11.772 -11.477 13.695 1.00 64.20 O ATOM 0 H GLY A 153 9.038 -9.332 12.114 1.00 3.50 H new ATOM 0 HA2 GLY A 153 8.961 -12.155 12.877 1.00 35.42 H new ATOM 0 HA3 GLY A 153 10.093 -11.356 11.804 1.00 35.42 H new ATOM 2603 N SER A 154 10.127 -10.795 15.071 1.00 14.11 N ATOM 2604 CA SER A 154 10.991 -10.652 16.253 1.00 0.03 C ATOM 2605 C SER A 154 10.317 -11.258 17.494 1.00 32.33 C ATOM 2606 O SER A 154 10.548 -10.821 18.623 1.00 43.30 O ATOM 2607 CB SER A 154 11.301 -9.166 16.497 1.00 61.14 C ATOM 2608 OG SER A 154 12.158 -8.979 17.618 1.00 34.42 O ATOM 0 H SER A 154 9.148 -10.566 15.243 1.00 14.11 H new ATOM 0 HA SER A 154 11.922 -11.188 16.069 1.00 0.03 H new ATOM 0 HB2 SER A 154 11.768 -8.742 15.608 1.00 61.14 H new ATOM 0 HB3 SER A 154 10.370 -8.623 16.657 1.00 61.14 H new ATOM 0 HG SER A 154 11.884 -9.579 18.343 1.00 34.42 H new ATOM 2614 N LEU A 155 9.487 -12.275 17.282 1.00 72.42 N ATOM 2615 CA LEU A 155 8.768 -12.923 18.382 1.00 13.03 C ATOM 2616 C LEU A 155 9.686 -13.878 19.152 1.00 2.35 C ATOM 2617 O LEU A 155 9.739 -15.080 18.879 1.00 22.42 O ATOM 2618 CB LEU A 155 7.540 -13.663 17.849 1.00 55.12 C ATOM 2619 CG LEU A 155 6.536 -12.786 17.089 1.00 34.50 C ATOM 2620 CD1 LEU A 155 5.411 -13.638 16.525 1.00 42.24 C ATOM 2621 CD2 LEU A 155 5.984 -11.683 17.991 1.00 23.44 C ATOM 0 H LEU A 155 9.294 -12.670 16.362 1.00 72.42 H new ATOM 0 HA LEU A 155 8.435 -12.151 19.075 1.00 13.03 H new ATOM 0 HB2 LEU A 155 7.874 -14.463 17.188 1.00 55.12 H new ATOM 0 HB3 LEU A 155 7.027 -14.135 18.687 1.00 55.12 H new ATOM 0 HG LEU A 155 7.056 -12.309 16.258 1.00 34.50 H new ATOM 0 HD11 LEU A 155 4.707 -13.002 15.989 1.00 42.24 H new ATOM 0 HD12 LEU A 155 5.824 -14.379 15.841 1.00 42.24 H new ATOM 0 HD13 LEU A 155 4.894 -14.144 17.340 1.00 42.24 H new ATOM 0 HD21 LEU A 155 5.275 -11.075 17.430 1.00 23.44 H new ATOM 0 HD22 LEU A 155 5.480 -12.131 18.847 1.00 23.44 H new ATOM 0 HD23 LEU A 155 6.803 -11.055 18.341 1.00 23.44 H new ATOM 2633 N GLU A 156 10.422 -13.312 20.098 1.00 52.12 N ATOM 2634 CA GLU A 156 11.394 -14.055 20.911 1.00 12.21 C ATOM 2635 C GLU A 156 11.361 -13.583 22.373 1.00 4.53 C ATOM 2636 O GLU A 156 10.561 -12.718 22.736 1.00 71.23 O ATOM 2637 CB GLU A 156 12.812 -13.852 20.350 1.00 64.02 C ATOM 2638 CG GLU A 156 13.265 -12.391 20.362 1.00 53.20 C ATOM 2639 CD GLU A 156 14.744 -12.219 20.055 1.00 14.10 C ATOM 2640 OE1 GLU A 156 15.572 -12.518 20.940 1.00 21.30 O ATOM 2641 OE2 GLU A 156 15.085 -11.777 18.937 1.00 63.41 O ATOM 0 H GLU A 156 10.367 -12.320 20.330 1.00 52.12 H new ATOM 0 HA GLU A 156 11.127 -15.111 20.874 1.00 12.21 H new ATOM 0 HB2 GLU A 156 13.514 -14.448 20.933 1.00 64.02 H new ATOM 0 HB3 GLU A 156 12.848 -14.228 19.327 1.00 64.02 H new ATOM 0 HG2 GLU A 156 12.682 -11.831 19.631 1.00 53.20 H new ATOM 0 HG3 GLU A 156 13.051 -11.959 21.340 1.00 53.20 H new ATOM 2648 N HIS A 157 12.230 -14.160 23.205 1.00 74.42 N ATOM 2649 CA HIS A 157 12.404 -13.704 24.589 1.00 64.10 C ATOM 2650 C HIS A 157 13.705 -14.245 25.211 1.00 71.14 C ATOM 2651 O HIS A 157 13.703 -15.249 25.923 1.00 54.14 O ATOM 2652 CB HIS A 157 11.180 -14.058 25.463 1.00 44.41 C ATOM 2653 CG HIS A 157 10.700 -15.480 25.351 1.00 20.30 C ATOM 2654 ND1 HIS A 157 11.209 -16.641 25.836 1.00 30.24 N flip ATOM 2655 CD2 HIS A 157 9.530 -15.826 24.707 1.00 73.42 C flip ATOM 2656 CE1 HIS A 157 10.342 -17.644 25.480 1.00 53.32 C flip ATOM 2657 NE2 HIS A 157 9.341 -17.127 24.802 1.00 52.12 N flip ATOM 0 H HIS A 157 12.826 -14.946 22.945 1.00 74.42 H new ATOM 0 HA HIS A 157 12.485 -12.617 24.557 1.00 64.10 H new ATOM 0 HB2 HIS A 157 11.428 -13.856 26.505 1.00 44.41 H new ATOM 0 HB3 HIS A 157 10.359 -13.393 25.196 1.00 44.41 H new ATOM 0 HD1 HIS A 157 12.074 -16.748 26.366 1.00 30.24 H new ATOM 0 HD2 HIS A 157 8.870 -15.136 24.202 1.00 73.42 H new ATOM 0 HE1 HIS A 157 10.463 -18.690 25.719 1.00 53.32 H new ATOM 2666 N HIS A 158 14.825 -13.581 24.920 1.00 12.42 N ATOM 2667 CA HIS A 158 16.116 -13.952 25.514 1.00 25.04 C ATOM 2668 C HIS A 158 16.263 -13.351 26.923 1.00 4.12 C ATOM 2669 O HIS A 158 16.705 -12.212 27.079 1.00 3.13 O ATOM 2670 CB HIS A 158 17.283 -13.487 24.627 1.00 51.03 C ATOM 2671 CG HIS A 158 17.315 -14.108 23.260 1.00 71.43 C ATOM 2672 ND1 HIS A 158 18.196 -13.708 22.278 1.00 72.21 N ATOM 2673 CD2 HIS A 158 16.583 -15.107 22.711 1.00 44.44 C ATOM 2674 CE1 HIS A 158 18.004 -14.427 21.193 1.00 4.33 C ATOM 2675 NE2 HIS A 158 17.032 -15.284 21.424 1.00 1.20 N ATOM 0 H HIS A 158 14.867 -12.787 24.281 1.00 12.42 H new ATOM 0 HA HIS A 158 16.144 -15.039 25.589 1.00 25.04 H new ATOM 0 HB2 HIS A 158 17.230 -12.404 24.518 1.00 51.03 H new ATOM 0 HB3 HIS A 158 18.221 -13.711 25.136 1.00 51.03 H new ATOM 0 HD2 HIS A 158 15.793 -15.662 23.195 1.00 44.44 H new ATOM 0 HE1 HIS A 158 18.552 -14.330 20.268 1.00 4.33 H new ATOM 0 HE2 HIS A 158 16.671 -15.967 20.758 1.00 1.20 H new ATOM 2684 N HIS A 159 15.902 -14.125 27.947 1.00 65.32 N ATOM 2685 CA HIS A 159 15.934 -13.641 29.336 1.00 30.41 C ATOM 2686 C HIS A 159 17.380 -13.466 29.850 1.00 24.41 C ATOM 2687 O HIS A 159 17.607 -13.028 30.979 1.00 55.42 O ATOM 2688 CB HIS A 159 15.146 -14.594 30.243 1.00 24.45 C ATOM 2689 CG HIS A 159 14.879 -14.049 31.615 1.00 25.00 C ATOM 2690 ND1 HIS A 159 15.464 -14.556 32.751 1.00 72.52 N ATOM 2691 CD2 HIS A 159 14.080 -13.036 32.029 1.00 62.32 C ATOM 2692 CE1 HIS A 159 15.040 -13.887 33.801 1.00 32.14 C ATOM 2693 NE2 HIS A 159 14.201 -12.957 33.394 1.00 4.11 N ATOM 0 H HIS A 159 15.584 -15.089 27.846 1.00 65.32 H new ATOM 0 HA HIS A 159 15.464 -12.658 29.359 1.00 30.41 H new ATOM 0 HB2 HIS A 159 14.195 -14.830 29.766 1.00 24.45 H new ATOM 0 HB3 HIS A 159 15.697 -15.530 30.336 1.00 24.45 H new ATOM 0 HD2 HIS A 159 13.464 -12.408 31.402 1.00 62.32 H new ATOM 0 HE1 HIS A 159 15.331 -14.070 34.825 1.00 32.14 H new ATOM 0 HE2 HIS A 159 13.720 -12.288 33.995 1.00 4.11 H new ATOM 2702 N HIS A 160 18.352 -13.821 29.011 1.00 52.04 N ATOM 2703 CA HIS A 160 19.770 -13.550 29.285 1.00 42.22 C ATOM 2704 C HIS A 160 20.074 -12.046 29.128 1.00 14.34 C ATOM 2705 O HIS A 160 21.152 -11.569 29.483 1.00 4.01 O ATOM 2706 CB HIS A 160 20.642 -14.382 28.327 1.00 45.52 C ATOM 2707 CG HIS A 160 22.118 -14.180 28.497 1.00 54.53 C ATOM 2708 ND1 HIS A 160 22.815 -14.628 29.596 1.00 35.44 N ATOM 2709 CD2 HIS A 160 23.031 -13.576 27.698 1.00 74.34 C ATOM 2710 CE1 HIS A 160 24.086 -14.312 29.470 1.00 74.11 C ATOM 2711 NE2 HIS A 160 24.243 -13.676 28.329 1.00 63.40 N ATOM 0 H HIS A 160 18.185 -14.302 28.127 1.00 52.04 H new ATOM 0 HA HIS A 160 19.998 -13.833 30.313 1.00 42.22 H new ATOM 0 HB2 HIS A 160 20.413 -15.438 28.472 1.00 45.52 H new ATOM 0 HB3 HIS A 160 20.370 -14.135 27.301 1.00 45.52 H new ATOM 0 HD2 HIS A 160 22.840 -13.105 26.745 1.00 74.34 H new ATOM 0 HE1 HIS A 160 24.867 -14.536 30.182 1.00 74.11 H new ATOM 0 HE2 HIS A 160 25.127 -13.315 27.971 1.00 63.40 H new ATOM 2720 N HIS A 161 19.100 -11.317 28.590 1.00 72.44 N ATOM 2721 CA HIS A 161 19.215 -9.872 28.357 1.00 65.14 C ATOM 2722 C HIS A 161 18.415 -9.080 29.413 1.00 61.34 C ATOM 2723 O HIS A 161 17.887 -8.004 29.127 1.00 75.24 O ATOM 2724 CB HIS A 161 18.687 -9.578 26.944 1.00 71.41 C ATOM 2725 CG HIS A 161 18.846 -8.156 26.486 1.00 33.23 C ATOM 2726 ND1 HIS A 161 17.835 -7.221 26.564 1.00 32.41 N ATOM 2727 CD2 HIS A 161 19.893 -7.520 25.912 1.00 44.42 C ATOM 2728 CE1 HIS A 161 18.251 -6.080 26.058 1.00 72.53 C ATOM 2729 NE2 HIS A 161 19.496 -6.232 25.653 1.00 23.31 N ATOM 0 H HIS A 161 18.204 -11.709 28.301 1.00 72.44 H new ATOM 0 HA HIS A 161 20.257 -9.562 28.442 1.00 65.14 H new ATOM 0 HB2 HIS A 161 19.201 -10.230 26.238 1.00 71.41 H new ATOM 0 HB3 HIS A 161 17.629 -9.839 26.907 1.00 71.41 H new ATOM 0 HD2 HIS A 161 20.862 -7.947 25.697 1.00 44.42 H new ATOM 0 HE1 HIS A 161 17.670 -5.172 25.987 1.00 72.53 H new ATOM 0 HE2 HIS A 161 20.071 -5.510 25.218 1.00 23.31 H new ATOM 2738 N HIS A 162 18.371 -9.612 30.642 1.00 61.41 N ATOM 2739 CA HIS A 162 17.533 -9.065 31.731 1.00 64.44 C ATOM 2740 C HIS A 162 16.045 -9.430 31.531 1.00 31.31 C ATOM 2741 O HIS A 162 15.368 -8.783 30.697 1.00 38.30 O ATOM 2742 CB HIS A 162 17.707 -7.537 31.878 1.00 21.34 C ATOM 2743 CG HIS A 162 16.710 -6.893 32.796 1.00 25.21 C ATOM 2744 ND1 HIS A 162 15.428 -6.578 32.404 1.00 32.40 N ATOM 2745 CD2 HIS A 162 16.809 -6.502 34.088 1.00 22.35 C ATOM 2746 CE1 HIS A 162 14.786 -6.020 33.405 1.00 22.04 C ATOM 2747 NE2 HIS A 162 15.597 -5.960 34.440 1.00 2.00 N ATOM 2748 OXT HIS A 162 15.565 -10.359 32.218 1.00 38.30 O ATOM 0 H HIS A 162 18.912 -10.432 30.914 1.00 61.41 H new ATOM 0 HA HIS A 162 17.874 -9.526 32.658 1.00 64.44 H new ATOM 0 HB2 HIS A 162 18.711 -7.330 32.247 1.00 21.34 H new ATOM 0 HB3 HIS A 162 17.628 -7.077 30.893 1.00 21.34 H new ATOM 0 HD1 HIS A 162 15.037 -6.751 31.478 1.00 32.40 H new ATOM 0 HD2 HIS A 162 17.678 -6.598 34.723 1.00 22.35 H new ATOM 0 HE1 HIS A 162 13.765 -5.669 33.383 1.00 22.04 H new TER 2757 HIS A 162