USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 26 TYR OH : rot 180:sc= 1.06 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.0136 F(o=-1.1,f=-0.014) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -88:sc= 0.102 USER MOD Single : A 11 TYR OH : rot 94:sc= 0.135 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.573) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0.79 (180deg=0.709) USER MOD Single : A 33 MET CE :methyl 149:sc= -0.21 (180deg=-0.972) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.47 F(o=-1.1,f=-0.47) USER MOD Single : A 53 MET CE :methyl 159:sc= -0.112 (180deg=-0.646) USER MOD Single : A 54 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.7!) USER MOD Single : A 68 MET CE :methyl -165:sc= -2.59! (180deg=-3.63!) USER MOD Single : A 72 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 78 CYS SG : rot 76:sc= 0.328 USER MOD Single : A 84 TYR OH : rot -158:sc= 0.744 USER MOD Single : A 88 THR OG1 : rot -90:sc= -0.196 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc=-0.00721 (180deg=-0.0944) USER MOD Single : A 93 TYR OH : rot -140:sc= 1.31 USER MOD Single : A 94 ASN : amide:sc= 0.122 K(o=0.12,f=-4.4!) USER MOD Single : A 103 MET CE :methyl -133:sc= -0.223 (180deg=-1.24) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= 0.0581 (180deg=-0.0924) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -0.462 -2.740 15.309 1.00 0.00 N ATOM 54 CA ASN A 5 -1.350 -2.528 14.169 1.00 0.00 C ATOM 55 C ASN A 5 -0.686 -1.681 13.087 1.00 0.00 C ATOM 56 O ASN A 5 -1.369 -1.058 12.269 1.00 0.00 O ATOM 57 CB ASN A 5 -2.651 -1.855 14.625 1.00 0.00 C ATOM 58 CG ASN A 5 -3.503 -2.738 15.521 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.457 -4.044 15.304 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -4.206 -2.243 16.403 1.00 0.00 N flip ATOM 0 HA ASN A 5 -1.575 -3.506 13.744 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.409 -0.935 15.158 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.232 -1.572 13.747 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.215 -1.232 16.540 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.779 -2.844 16.996 1.00 0.00 H new ATOM 67 N SER A 6 0.642 -1.668 13.076 1.00 0.00 N ATOM 68 CA SER A 6 1.384 -0.956 12.042 1.00 0.00 C ATOM 69 C SER A 6 1.135 -1.584 10.674 1.00 0.00 C ATOM 70 O SER A 6 0.886 -2.790 10.566 1.00 0.00 O ATOM 71 CB SER A 6 2.881 -0.945 12.354 1.00 0.00 C ATOM 72 OG SER A 6 3.153 -0.189 13.526 1.00 0.00 O ATOM 0 H SER A 6 1.225 -2.140 13.768 1.00 0.00 H new ATOM 0 HA SER A 6 1.030 0.075 12.023 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.236 -1.967 12.486 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.428 -0.524 11.511 1.00 0.00 H new ATOM 0 HG SER A 6 4.116 -0.199 13.705 1.00 0.00 H new ATOM 78 N PHE A 7 1.198 -0.755 9.641 1.00 0.00 N ATOM 79 CA PHE A 7 0.936 -1.190 8.276 1.00 0.00 C ATOM 80 C PHE A 7 1.888 -2.312 7.877 1.00 0.00 C ATOM 81 O PHE A 7 1.480 -3.270 7.229 1.00 0.00 O ATOM 82 CB PHE A 7 1.079 -0.001 7.317 1.00 0.00 C ATOM 83 CG PHE A 7 0.475 -0.227 5.958 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.861 0.066 5.725 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.239 -0.719 4.913 1.00 0.00 C ATOM 86 CE1 PHE A 7 -1.422 -0.128 4.478 1.00 0.00 C ATOM 87 CE2 PHE A 7 0.683 -0.916 3.663 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.649 -0.620 3.446 1.00 0.00 C ATOM 0 H PHE A 7 1.431 0.234 9.725 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.083 -1.573 8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.611 0.874 7.769 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.138 0.229 7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.470 0.451 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.281 -0.951 5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.463 0.105 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.289 -1.301 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.085 -0.773 2.470 1.00 0.00 H new ATOM 98 N SER A 8 3.147 -2.193 8.290 1.00 0.00 N ATOM 99 CA SER A 8 4.162 -3.193 7.985 1.00 0.00 C ATOM 100 C SER A 8 3.787 -4.566 8.545 1.00 0.00 C ATOM 101 O SER A 8 3.955 -5.586 7.874 1.00 0.00 O ATOM 102 CB SER A 8 5.505 -2.745 8.558 1.00 0.00 C ATOM 103 OG SER A 8 5.366 -2.357 9.915 1.00 0.00 O ATOM 0 H SER A 8 3.489 -1.406 8.841 1.00 0.00 H new ATOM 0 HA SER A 8 4.233 -3.286 6.901 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.229 -3.556 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.895 -1.911 7.974 1.00 0.00 H new ATOM 0 HG SER A 8 5.127 -1.408 9.961 1.00 0.00 H new ATOM 109 N ALA A 9 3.265 -4.581 9.767 1.00 0.00 N ATOM 110 CA ALA A 9 2.887 -5.823 10.428 1.00 0.00 C ATOM 111 C ALA A 9 1.794 -6.542 9.645 1.00 0.00 C ATOM 112 O ALA A 9 1.896 -7.742 9.365 1.00 0.00 O ATOM 113 CB ALA A 9 2.425 -5.543 11.851 1.00 0.00 C ATOM 0 H ALA A 9 3.094 -3.742 10.321 1.00 0.00 H new ATOM 0 HA ALA A 9 3.762 -6.472 10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.145 -6.479 12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.234 -5.074 12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.564 -4.875 11.829 1.00 0.00 H new ATOM 119 N ILE A 10 0.754 -5.798 9.281 1.00 0.00 N ATOM 120 CA ILE A 10 -0.342 -6.351 8.502 1.00 0.00 C ATOM 121 C ILE A 10 0.132 -6.688 7.092 1.00 0.00 C ATOM 122 O ILE A 10 -0.242 -7.718 6.532 1.00 0.00 O ATOM 123 CB ILE A 10 -1.534 -5.372 8.436 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.009 -5.039 9.853 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.673 -5.963 7.616 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.151 -4.047 9.897 1.00 0.00 C ATOM 0 H ILE A 10 0.650 -4.811 9.514 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.678 -7.262 8.997 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.208 -4.455 7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.320 -5.959 10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.170 -4.639 10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.502 -5.256 7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.326 -6.163 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.007 -6.893 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.432 -3.861 10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.839 -3.112 9.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.006 -4.452 9.356 1.00 0.00 H new ATOM 138 N TYR A 11 0.974 -5.820 6.541 1.00 0.00 N ATOM 139 CA TYR A 11 1.565 -6.034 5.225 1.00 0.00 C ATOM 140 C TYR A 11 2.322 -7.356 5.163 1.00 0.00 C ATOM 141 O TYR A 11 2.158 -8.116 4.215 1.00 0.00 O ATOM 142 CB TYR A 11 2.496 -4.868 4.862 1.00 0.00 C ATOM 143 CG TYR A 11 3.565 -5.222 3.848 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.234 -5.595 2.550 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.906 -5.195 4.202 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.214 -5.931 1.637 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.890 -5.531 3.295 1.00 0.00 C ATOM 148 CZ TYR A 11 5.540 -5.896 2.015 1.00 0.00 C ATOM 149 OH TYR A 11 6.518 -6.235 1.114 1.00 0.00 O ATOM 0 H TYR A 11 1.265 -4.952 6.992 1.00 0.00 H new ATOM 0 HA TYR A 11 0.754 -6.079 4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.896 -4.047 4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.978 -4.505 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.196 -5.622 2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.185 -4.906 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.944 -6.220 0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.929 -5.508 3.588 1.00 0.00 H new ATOM 0 HH TYR A 11 6.855 -5.425 0.677 1.00 0.00 H new ATOM 159 N LYS A 12 3.144 -7.634 6.169 1.00 0.00 N ATOM 160 CA LYS A 12 3.934 -8.857 6.166 1.00 0.00 C ATOM 161 C LYS A 12 3.029 -10.082 6.204 1.00 0.00 C ATOM 162 O LYS A 12 3.271 -11.057 5.499 1.00 0.00 O ATOM 163 CB LYS A 12 4.912 -8.899 7.339 1.00 0.00 C ATOM 164 CG LYS A 12 5.878 -10.073 7.252 1.00 0.00 C ATOM 165 CD LYS A 12 6.720 -10.215 8.504 1.00 0.00 C ATOM 166 CE LYS A 12 7.685 -11.384 8.382 1.00 0.00 C ATOM 167 NZ LYS A 12 8.383 -11.664 9.665 1.00 0.00 N ATOM 0 H LYS A 12 3.279 -7.038 6.986 1.00 0.00 H new ATOM 0 HA LYS A 12 4.511 -8.867 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.478 -7.968 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.352 -8.962 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.316 -10.992 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.531 -9.941 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.278 -9.295 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.072 -10.363 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.140 -12.273 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.421 -11.168 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.031 -12.467 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.924 -10.825 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.682 -11.896 10.398 1.00 0.00 H new ATOM 181 N GLU A 13 1.982 -10.024 7.021 1.00 0.00 N ATOM 182 CA GLU A 13 1.030 -11.126 7.105 1.00 0.00 C ATOM 183 C GLU A 13 0.288 -11.280 5.784 1.00 0.00 C ATOM 184 O GLU A 13 0.134 -12.386 5.265 1.00 0.00 O ATOM 185 CB GLU A 13 0.038 -10.893 8.243 1.00 0.00 C ATOM 186 CG GLU A 13 -0.886 -12.075 8.486 1.00 0.00 C ATOM 187 CD GLU A 13 -1.811 -11.859 9.660 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.304 -11.679 10.788 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.042 -11.877 9.466 1.00 0.00 O ATOM 0 H GLU A 13 1.772 -9.233 7.630 1.00 0.00 H new ATOM 0 HA GLU A 13 1.581 -12.044 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.590 -10.678 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.562 -10.012 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.479 -12.258 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.288 -12.969 8.660 1.00 0.00 H new ATOM 196 N TRP A 14 -0.152 -10.153 5.242 1.00 0.00 N ATOM 197 CA TRP A 14 -0.824 -10.121 3.954 1.00 0.00 C ATOM 198 C TRP A 14 0.084 -10.689 2.865 1.00 0.00 C ATOM 199 O TRP A 14 -0.340 -11.522 2.065 1.00 0.00 O ATOM 200 CB TRP A 14 -1.233 -8.680 3.630 1.00 0.00 C ATOM 201 CG TRP A 14 -1.763 -8.495 2.244 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.005 -8.825 1.784 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.060 -7.924 1.136 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.114 -8.502 0.455 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.932 -7.946 0.036 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.225 -7.396 0.971 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.559 -7.462 -1.215 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.590 -6.914 -0.271 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.299 -6.949 -1.348 1.00 0.00 C ATOM 0 H TRP A 14 -0.053 -9.238 5.683 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.720 -10.741 3.997 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.992 -8.359 4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.370 -8.029 3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.787 -9.274 2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.939 -8.651 -0.126 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.918 -7.366 1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.242 -7.491 -2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.579 -6.503 -0.412 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.016 -6.563 -2.306 1.00 0.00 H new ATOM 220 N TYR A 15 1.334 -10.241 2.856 1.00 0.00 N ATOM 221 CA TYR A 15 2.331 -10.726 1.908 1.00 0.00 C ATOM 222 C TYR A 15 2.567 -12.222 2.073 1.00 0.00 C ATOM 223 O TYR A 15 2.545 -12.965 1.100 1.00 0.00 O ATOM 224 CB TYR A 15 3.648 -9.961 2.085 1.00 0.00 C ATOM 225 CG TYR A 15 4.838 -10.627 1.425 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.901 -10.783 0.045 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.898 -11.103 2.188 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.985 -11.397 -0.553 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.987 -11.715 1.597 1.00 0.00 C ATOM 230 CZ TYR A 15 7.025 -11.860 0.225 1.00 0.00 C ATOM 231 OH TYR A 15 8.109 -12.468 -0.373 1.00 0.00 O ATOM 0 H TYR A 15 1.684 -9.534 3.503 1.00 0.00 H new ATOM 0 HA TYR A 15 1.950 -10.553 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.532 -8.958 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.851 -9.849 3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.091 -10.419 -0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.870 -10.993 3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.017 -11.514 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.803 -12.077 2.205 1.00 0.00 H new ATOM 0 HH TYR A 15 8.754 -12.736 0.314 1.00 0.00 H new ATOM 241 N GLU A 16 2.785 -12.655 3.309 1.00 0.00 N ATOM 242 CA GLU A 16 3.051 -14.061 3.600 1.00 0.00 C ATOM 243 C GLU A 16 1.862 -14.927 3.186 1.00 0.00 C ATOM 244 O GLU A 16 2.019 -16.087 2.798 1.00 0.00 O ATOM 245 CB GLU A 16 3.351 -14.232 5.093 1.00 0.00 C ATOM 246 CG GLU A 16 3.818 -15.624 5.477 1.00 0.00 C ATOM 247 CD GLU A 16 4.146 -15.734 6.952 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.305 -15.463 7.328 1.00 0.00 O ATOM 249 OE2 GLU A 16 3.246 -16.090 7.742 1.00 0.00 O ATOM 0 H GLU A 16 2.783 -12.050 4.130 1.00 0.00 H new ATOM 0 HA GLU A 16 3.920 -14.384 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.115 -13.511 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.453 -13.992 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.043 -16.347 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.699 -15.884 4.891 1.00 0.00 H new ATOM 256 N HIS A 17 0.675 -14.347 3.258 1.00 0.00 N ATOM 257 CA HIS A 17 -0.544 -15.030 2.864 1.00 0.00 C ATOM 258 C HIS A 17 -0.681 -15.035 1.337 1.00 0.00 C ATOM 259 O HIS A 17 -0.869 -16.084 0.725 1.00 0.00 O ATOM 260 CB HIS A 17 -1.748 -14.349 3.525 1.00 0.00 C ATOM 261 CG HIS A 17 -3.031 -15.111 3.409 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.242 -16.331 4.018 1.00 0.00 N ATOM 263 CD2 HIS A 17 -4.179 -14.817 2.757 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.461 -16.750 3.741 1.00 0.00 C ATOM 265 NE2 HIS A 17 -5.051 -15.849 2.981 1.00 0.00 N ATOM 0 H HIS A 17 0.531 -13.393 3.590 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.504 -16.067 3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.527 -14.193 4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.883 -13.364 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.372 -13.932 2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.902 -17.676 4.080 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.002 -15.910 2.619 1.00 0.00 H new ATOM 274 N LYS A 18 -0.548 -13.858 0.728 1.00 0.00 N ATOM 275 CA LYS A 18 -0.648 -13.714 -0.728 1.00 0.00 C ATOM 276 C LYS A 18 0.522 -14.393 -1.441 1.00 0.00 C ATOM 277 O LYS A 18 0.482 -14.607 -2.653 1.00 0.00 O ATOM 278 CB LYS A 18 -0.687 -12.233 -1.112 1.00 0.00 C ATOM 279 CG LYS A 18 -2.050 -11.577 -0.956 1.00 0.00 C ATOM 280 CD LYS A 18 -3.004 -12.007 -2.062 1.00 0.00 C ATOM 281 CE LYS A 18 -4.189 -11.058 -2.183 1.00 0.00 C ATOM 282 NZ LYS A 18 -5.126 -11.160 -1.031 1.00 0.00 N ATOM 0 H LYS A 18 -0.370 -12.984 1.222 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.571 -14.200 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.035 -11.693 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.365 -12.131 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.473 -11.840 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.938 -10.493 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.469 -12.044 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.364 -13.016 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.823 -10.034 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.729 -11.273 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.455 -10.210 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.942 -11.746 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.637 -11.595 -0.223 1.00 0.00 H new ATOM 296 N LYS A 19 1.554 -14.722 -0.674 1.00 0.00 N ATOM 297 CA LYS A 19 2.747 -15.390 -1.187 1.00 0.00 C ATOM 298 C LYS A 19 2.392 -16.709 -1.870 1.00 0.00 C ATOM 299 O LYS A 19 3.077 -17.146 -2.793 1.00 0.00 O ATOM 300 CB LYS A 19 3.717 -15.648 -0.028 1.00 0.00 C ATOM 301 CG LYS A 19 5.043 -16.269 -0.434 1.00 0.00 C ATOM 302 CD LYS A 19 5.830 -16.708 0.789 1.00 0.00 C ATOM 303 CE LYS A 19 7.170 -17.321 0.415 1.00 0.00 C ATOM 304 NZ LYS A 19 7.843 -17.928 1.595 1.00 0.00 N ATOM 0 H LYS A 19 1.588 -14.532 0.328 1.00 0.00 H new ATOM 0 HA LYS A 19 3.216 -14.744 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.914 -14.704 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.231 -16.303 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.865 -17.126 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.626 -15.549 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.993 -15.851 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.245 -17.433 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.022 -18.082 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.813 -16.555 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.754 -18.336 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.007 -17.196 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.240 -18.676 1.992 1.00 0.00 H new ATOM 318 N GLN A 20 1.310 -17.335 -1.419 1.00 0.00 N ATOM 319 CA GLN A 20 0.904 -18.626 -1.961 1.00 0.00 C ATOM 320 C GLN A 20 0.012 -18.448 -3.189 1.00 0.00 C ATOM 321 O GLN A 20 -0.353 -19.422 -3.848 1.00 0.00 O ATOM 322 CB GLN A 20 0.175 -19.450 -0.897 1.00 0.00 C ATOM 323 CG GLN A 20 -1.124 -18.823 -0.421 1.00 0.00 C ATOM 324 CD GLN A 20 -1.685 -19.512 0.803 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.941 -20.053 1.620 1.00 0.00 O ATOM 326 NE2 GLN A 20 -2.997 -19.498 0.941 1.00 0.00 N ATOM 0 H GLN A 20 0.702 -16.972 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 20 1.804 -19.160 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.036 -20.441 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.836 -19.588 -0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.954 -17.770 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.859 -18.862 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.579 -19.038 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.430 -19.947 1.748 1.00 0.00 H new ATOM 335 N VAL A 21 -0.335 -17.204 -3.493 1.00 0.00 N ATOM 336 CA VAL A 21 -1.178 -16.903 -4.642 1.00 0.00 C ATOM 337 C VAL A 21 -0.321 -16.591 -5.857 1.00 0.00 C ATOM 338 O VAL A 21 -0.517 -17.152 -6.940 1.00 0.00 O ATOM 339 CB VAL A 21 -2.122 -15.713 -4.365 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.983 -15.407 -5.585 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.998 -15.996 -3.156 1.00 0.00 C ATOM 0 H VAL A 21 -0.045 -16.385 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.788 -17.786 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.509 -14.838 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.639 -14.565 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.341 -15.156 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.585 -16.281 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.656 -15.146 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.598 -16.887 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.369 -16.159 -2.281 1.00 0.00 H new ATOM 351 N TRP A 22 0.641 -15.708 -5.665 1.00 0.00 N ATOM 352 CA TRP A 22 1.522 -15.302 -6.745 1.00 0.00 C ATOM 353 C TRP A 22 2.721 -16.235 -6.830 1.00 0.00 C ATOM 354 O TRP A 22 2.929 -17.079 -5.959 1.00 0.00 O ATOM 355 CB TRP A 22 2.007 -13.865 -6.539 1.00 0.00 C ATOM 356 CG TRP A 22 0.901 -12.867 -6.391 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.226 -12.765 -7.153 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.830 -11.816 -5.425 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.001 -11.721 -6.711 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.373 -11.120 -5.650 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.665 -11.398 -4.386 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.759 -10.030 -4.875 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.284 -10.315 -3.618 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.080 -9.641 -3.865 1.00 0.00 C ATOM 0 H TRP A 22 0.833 -15.257 -4.770 1.00 0.00 H new ATOM 0 HA TRP A 22 0.958 -15.354 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.637 -13.829 -5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.632 -13.578 -7.385 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.473 -13.411 -7.983 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.897 -11.439 -7.107 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.593 -11.913 -4.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.687 -9.510 -5.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.924 -9.982 -2.814 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.191 -8.798 -3.247 1.00 0.00 H new ATOM 375 N SER A 23 3.495 -16.087 -7.890 1.00 0.00 N ATOM 376 CA SER A 23 4.726 -16.838 -8.041 1.00 0.00 C ATOM 377 C SER A 23 5.823 -16.187 -7.201 1.00 0.00 C ATOM 378 O SER A 23 5.836 -14.964 -7.049 1.00 0.00 O ATOM 379 CB SER A 23 5.123 -16.878 -9.514 1.00 0.00 C ATOM 380 OG SER A 23 4.011 -17.232 -10.326 1.00 0.00 O ATOM 0 H SER A 23 3.291 -15.451 -8.661 1.00 0.00 H new ATOM 0 HA SER A 23 4.582 -17.861 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.506 -15.904 -9.819 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.929 -17.598 -9.659 1.00 0.00 H new ATOM 0 HG SER A 23 4.285 -17.250 -11.267 1.00 0.00 H new ATOM 386 N VAL A 24 6.729 -17.000 -6.662 1.00 0.00 N ATOM 387 CA VAL A 24 7.751 -16.523 -5.727 1.00 0.00 C ATOM 388 C VAL A 24 8.544 -15.329 -6.282 1.00 0.00 C ATOM 389 O VAL A 24 8.848 -14.388 -5.546 1.00 0.00 O ATOM 390 CB VAL A 24 8.722 -17.659 -5.321 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.499 -18.176 -6.519 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.667 -17.199 -4.221 1.00 0.00 C ATOM 0 H VAL A 24 6.778 -18.000 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 24 7.215 -16.183 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 24 8.123 -18.483 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.172 -18.972 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.804 -18.564 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.080 -17.363 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.339 -18.015 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.251 -16.349 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.089 -16.903 -3.345 1.00 0.00 H new ATOM 402 N GLY A 25 8.856 -15.358 -7.576 1.00 0.00 N ATOM 403 CA GLY A 25 9.590 -14.265 -8.186 1.00 0.00 C ATOM 404 C GLY A 25 8.797 -12.975 -8.169 1.00 0.00 C ATOM 405 O GLY A 25 9.272 -11.948 -7.679 1.00 0.00 O ATOM 0 H GLY A 25 8.613 -16.119 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.532 -14.120 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.840 -14.524 -9.215 1.00 0.00 H new ATOM 409 N TYR A 26 7.578 -13.043 -8.693 1.00 0.00 N ATOM 410 CA TYR A 26 6.672 -11.899 -8.721 1.00 0.00 C ATOM 411 C TYR A 26 6.400 -11.392 -7.308 1.00 0.00 C ATOM 412 O TYR A 26 6.397 -10.186 -7.059 1.00 0.00 O ATOM 413 CB TYR A 26 5.354 -12.294 -9.402 1.00 0.00 C ATOM 414 CG TYR A 26 4.362 -11.159 -9.546 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.420 -10.299 -10.635 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.365 -10.952 -8.599 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.517 -9.263 -10.774 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.459 -9.919 -8.732 1.00 0.00 C ATOM 419 CZ TYR A 26 2.539 -9.078 -9.821 1.00 0.00 C ATOM 420 OH TYR A 26 1.636 -8.050 -9.960 1.00 0.00 O ATOM 0 H TYR A 26 7.190 -13.890 -9.109 1.00 0.00 H new ATOM 0 HA TYR A 26 7.143 -11.097 -9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.576 -12.695 -10.391 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.889 -13.097 -8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.183 -10.443 -11.385 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.298 -11.610 -7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.577 -8.601 -11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.692 -9.771 -7.987 1.00 0.00 H new ATOM 0 HH TYR A 26 1.012 -8.058 -9.204 1.00 0.00 H new ATOM 430 N ALA A 27 6.182 -12.324 -6.386 1.00 0.00 N ATOM 431 CA ALA A 27 5.902 -11.984 -4.997 1.00 0.00 C ATOM 432 C ALA A 27 7.072 -11.237 -4.367 1.00 0.00 C ATOM 433 O ALA A 27 6.875 -10.272 -3.632 1.00 0.00 O ATOM 434 CB ALA A 27 5.583 -13.236 -4.196 1.00 0.00 C ATOM 0 H ALA A 27 6.194 -13.326 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 27 5.033 -11.327 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.377 -12.963 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.709 -13.728 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.434 -13.916 -4.229 1.00 0.00 H new ATOM 440 N THR A 28 8.287 -11.679 -4.668 1.00 0.00 N ATOM 441 CA THR A 28 9.483 -11.034 -4.145 1.00 0.00 C ATOM 442 C THR A 28 9.638 -9.622 -4.714 1.00 0.00 C ATOM 443 O THR A 28 9.903 -8.677 -3.973 1.00 0.00 O ATOM 444 CB THR A 28 10.740 -11.870 -4.446 1.00 0.00 C ATOM 445 OG1 THR A 28 10.574 -13.190 -3.910 1.00 0.00 O ATOM 446 CG2 THR A 28 11.984 -11.233 -3.843 1.00 0.00 C ATOM 0 H THR A 28 8.469 -12.481 -5.271 1.00 0.00 H new ATOM 0 HA THR A 28 9.370 -10.960 -3.063 1.00 0.00 H new ATOM 0 HB THR A 28 10.869 -11.916 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.174 -13.771 -4.590 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.855 -11.847 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.122 -10.236 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.867 -11.159 -2.762 1.00 0.00 H new ATOM 454 N GLU A 29 9.450 -9.482 -6.024 1.00 0.00 N ATOM 455 CA GLU A 29 9.520 -8.173 -6.673 1.00 0.00 C ATOM 456 C GLU A 29 8.476 -7.222 -6.105 1.00 0.00 C ATOM 457 O GLU A 29 8.780 -6.075 -5.774 1.00 0.00 O ATOM 458 CB GLU A 29 9.325 -8.308 -8.184 1.00 0.00 C ATOM 459 CG GLU A 29 10.601 -8.638 -8.936 1.00 0.00 C ATOM 460 CD GLU A 29 11.622 -7.520 -8.852 1.00 0.00 C ATOM 461 OE1 GLU A 29 11.418 -6.472 -9.499 1.00 0.00 O ATOM 462 OE2 GLU A 29 12.636 -7.684 -8.142 1.00 0.00 O ATOM 0 H GLU A 29 9.248 -10.256 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 29 10.510 -7.761 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.587 -9.087 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.915 -7.376 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.033 -9.553 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.364 -8.833 -9.982 1.00 0.00 H new ATOM 469 N LEU A 30 7.246 -7.711 -5.985 1.00 0.00 N ATOM 470 CA LEU A 30 6.151 -6.918 -5.445 1.00 0.00 C ATOM 471 C LEU A 30 6.467 -6.482 -4.019 1.00 0.00 C ATOM 472 O LEU A 30 6.324 -5.309 -3.677 1.00 0.00 O ATOM 473 CB LEU A 30 4.843 -7.725 -5.496 1.00 0.00 C ATOM 474 CG LEU A 30 3.576 -6.995 -5.025 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.362 -7.510 -5.777 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.371 -7.175 -3.526 1.00 0.00 C ATOM 0 H LEU A 30 6.983 -8.658 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 30 6.026 -6.022 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.685 -8.057 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.969 -8.620 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 30 3.701 -5.932 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.471 -6.984 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.496 -7.338 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.246 -8.578 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.468 -6.649 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.269 -8.236 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.229 -6.769 -2.990 1.00 0.00 H new ATOM 488 N ALA A 31 6.918 -7.429 -3.207 1.00 0.00 N ATOM 489 CA ALA A 31 7.243 -7.154 -1.815 1.00 0.00 C ATOM 490 C ALA A 31 8.398 -6.169 -1.701 1.00 0.00 C ATOM 491 O ALA A 31 8.363 -5.257 -0.883 1.00 0.00 O ATOM 492 CB ALA A 31 7.584 -8.443 -1.085 1.00 0.00 C ATOM 0 H ALA A 31 7.067 -8.397 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 31 6.365 -6.704 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.825 -8.220 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.730 -9.119 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.442 -8.916 -1.563 1.00 0.00 H new ATOM 498 N LYS A 32 9.416 -6.353 -2.528 1.00 0.00 N ATOM 499 CA LYS A 32 10.591 -5.496 -2.483 1.00 0.00 C ATOM 500 C LYS A 32 10.228 -4.075 -2.905 1.00 0.00 C ATOM 501 O LYS A 32 10.616 -3.110 -2.256 1.00 0.00 O ATOM 502 CB LYS A 32 11.691 -6.041 -3.391 1.00 0.00 C ATOM 503 CG LYS A 32 13.074 -5.508 -3.057 1.00 0.00 C ATOM 504 CD LYS A 32 14.075 -5.848 -4.145 1.00 0.00 C ATOM 505 CE LYS A 32 13.821 -5.021 -5.393 1.00 0.00 C ATOM 506 NZ LYS A 32 14.108 -3.578 -5.167 1.00 0.00 N ATOM 0 H LYS A 32 9.452 -7.086 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 32 10.960 -5.479 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.703 -7.129 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.454 -5.791 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.028 -4.427 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.408 -5.928 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.087 -5.666 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.009 -6.909 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.443 -5.392 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.783 -5.141 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.021 -3.062 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.429 -3.193 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.074 -3.470 -4.798 1.00 0.00 H new ATOM 520 N MET A 33 9.474 -3.964 -3.993 1.00 0.00 N ATOM 521 CA MET A 33 9.003 -2.668 -4.479 1.00 0.00 C ATOM 522 C MET A 33 8.163 -1.970 -3.414 1.00 0.00 C ATOM 523 O MET A 33 8.389 -0.804 -3.087 1.00 0.00 O ATOM 524 CB MET A 33 8.170 -2.851 -5.750 1.00 0.00 C ATOM 525 CG MET A 33 7.516 -1.572 -6.254 1.00 0.00 C ATOM 526 SD MET A 33 6.379 -1.868 -7.626 1.00 0.00 S ATOM 527 CE MET A 33 5.150 -2.894 -6.822 1.00 0.00 C ATOM 0 H MET A 33 9.174 -4.758 -4.559 1.00 0.00 H new ATOM 0 HA MET A 33 9.873 -2.051 -4.704 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.809 -3.253 -6.536 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.394 -3.592 -5.559 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.976 -1.097 -5.435 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.290 -0.874 -6.572 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.176 -2.722 -7.280 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.423 -3.943 -6.933 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.102 -2.642 -5.763 1.00 0.00 H new ATOM 537 N PHE A 34 7.203 -2.706 -2.871 1.00 0.00 N ATOM 538 CA PHE A 34 6.302 -2.184 -1.853 1.00 0.00 C ATOM 539 C PHE A 34 7.094 -1.776 -0.612 1.00 0.00 C ATOM 540 O PHE A 34 6.799 -0.768 0.022 1.00 0.00 O ATOM 541 CB PHE A 34 5.270 -3.259 -1.501 1.00 0.00 C ATOM 542 CG PHE A 34 4.027 -2.745 -0.830 1.00 0.00 C ATOM 543 CD1 PHE A 34 2.944 -2.325 -1.589 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.931 -2.704 0.550 1.00 0.00 C ATOM 545 CE1 PHE A 34 1.792 -1.868 -0.982 1.00 0.00 C ATOM 546 CE2 PHE A 34 2.778 -2.252 1.163 1.00 0.00 C ATOM 547 CZ PHE A 34 1.708 -1.834 0.398 1.00 0.00 C ATOM 0 H PHE A 34 7.027 -3.679 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 34 5.787 -1.302 -2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.984 -3.780 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.741 -3.994 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.003 -2.356 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.766 -3.029 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.958 -1.538 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.714 -2.226 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.806 -1.481 0.876 1.00 0.00 H new ATOM 557 N ASP A 35 8.109 -2.564 -0.287 1.00 0.00 N ATOM 558 CA ASP A 35 8.970 -2.289 0.859 1.00 0.00 C ATOM 559 C ASP A 35 9.770 -1.006 0.640 1.00 0.00 C ATOM 560 O ASP A 35 9.710 -0.082 1.452 1.00 0.00 O ATOM 561 CB ASP A 35 9.924 -3.465 1.082 1.00 0.00 C ATOM 562 CG ASP A 35 10.702 -3.375 2.380 1.00 0.00 C ATOM 563 OD1 ASP A 35 11.694 -2.621 2.437 1.00 0.00 O ATOM 564 OD2 ASP A 35 10.342 -4.095 3.339 1.00 0.00 O ATOM 0 H ASP A 35 8.359 -3.406 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 35 8.343 -2.157 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.352 -4.393 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.626 -3.516 0.250 1.00 0.00 H new ATOM 569 N ASP A 36 10.479 -0.948 -0.487 1.00 0.00 N ATOM 570 CA ASP A 36 11.394 0.159 -0.790 1.00 0.00 C ATOM 571 C ASP A 36 10.705 1.518 -0.741 1.00 0.00 C ATOM 572 O ASP A 36 11.310 2.513 -0.327 1.00 0.00 O ATOM 573 CB ASP A 36 12.033 -0.020 -2.175 1.00 0.00 C ATOM 574 CG ASP A 36 13.093 -1.102 -2.214 1.00 0.00 C ATOM 575 OD1 ASP A 36 13.914 -1.176 -1.278 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.139 -1.865 -3.207 1.00 0.00 O ATOM 0 H ASP A 36 10.438 -1.662 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 36 12.162 0.135 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.253 -0.259 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.478 0.925 -2.487 1.00 0.00 H new ATOM 581 N ASP A 37 9.455 1.573 -1.174 1.00 0.00 N ATOM 582 CA ASP A 37 8.747 2.845 -1.249 1.00 0.00 C ATOM 583 C ASP A 37 7.749 3.033 -0.111 1.00 0.00 C ATOM 584 O ASP A 37 7.770 4.055 0.569 1.00 0.00 O ATOM 585 CB ASP A 37 8.038 2.988 -2.594 1.00 0.00 C ATOM 586 CG ASP A 37 9.008 3.220 -3.734 1.00 0.00 C ATOM 587 OD1 ASP A 37 9.553 4.341 -3.836 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.237 2.291 -4.529 1.00 0.00 O ATOM 0 H ASP A 37 8.914 0.763 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 37 9.501 3.626 -1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.456 2.088 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.334 3.819 -2.544 1.00 0.00 H new ATOM 593 N ILE A 38 6.887 2.049 0.107 1.00 0.00 N ATOM 594 CA ILE A 38 5.794 2.194 1.070 1.00 0.00 C ATOM 595 C ILE A 38 6.303 2.253 2.510 1.00 0.00 C ATOM 596 O ILE A 38 5.824 3.063 3.307 1.00 0.00 O ATOM 597 CB ILE A 38 4.740 1.058 0.934 1.00 0.00 C ATOM 598 CG1 ILE A 38 3.831 1.289 -0.279 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.897 0.925 2.194 1.00 0.00 C ATOM 600 CD1 ILE A 38 4.518 1.124 -1.617 1.00 0.00 C ATOM 0 H ILE A 38 6.919 1.145 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 38 5.312 3.143 0.834 1.00 0.00 H new ATOM 0 HB ILE A 38 5.290 0.128 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.993 0.594 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.415 2.295 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.172 0.122 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.543 0.696 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.372 1.862 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.802 1.305 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.338 1.837 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.909 0.110 -1.703 1.00 0.00 H new ATOM 612 N LEU A 39 7.283 1.418 2.837 1.00 0.00 N ATOM 613 CA LEU A 39 7.765 1.306 4.216 1.00 0.00 C ATOM 614 C LEU A 39 8.315 2.631 4.761 1.00 0.00 C ATOM 615 O LEU A 39 7.907 3.060 5.841 1.00 0.00 O ATOM 616 CB LEU A 39 8.804 0.186 4.346 1.00 0.00 C ATOM 617 CG LEU A 39 8.234 -1.198 4.684 1.00 0.00 C ATOM 618 CD1 LEU A 39 7.843 -1.264 6.152 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.030 -1.518 3.807 1.00 0.00 C ATOM 0 H LEU A 39 7.760 0.809 2.172 1.00 0.00 H new ATOM 0 HA LEU A 39 6.901 1.050 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.357 0.115 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.520 0.465 5.119 1.00 0.00 H new ATOM 0 HG LEU A 39 9.008 -1.941 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.440 -2.252 6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.721 -1.080 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.087 -0.507 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.644 -2.504 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.253 -0.770 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.330 -1.509 2.759 1.00 0.00 H new ATOM 631 N PRO A 40 9.234 3.310 4.041 1.00 0.00 N ATOM 632 CA PRO A 40 9.761 4.613 4.477 1.00 0.00 C ATOM 633 C PRO A 40 8.681 5.690 4.597 1.00 0.00 C ATOM 634 O PRO A 40 8.876 6.705 5.269 1.00 0.00 O ATOM 635 CB PRO A 40 10.755 4.992 3.371 1.00 0.00 C ATOM 636 CG PRO A 40 11.107 3.705 2.718 1.00 0.00 C ATOM 637 CD PRO A 40 9.867 2.867 2.785 1.00 0.00 C ATOM 0 HA PRO A 40 10.202 4.544 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.309 5.687 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.638 5.481 3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.419 3.862 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.937 3.219 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.219 3.036 1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.100 1.802 2.804 1.00 0.00 H new ATOM 645 N ILE A 41 7.539 5.466 3.955 1.00 0.00 N ATOM 646 CA ILE A 41 6.474 6.459 3.943 1.00 0.00 C ATOM 647 C ILE A 41 5.420 6.160 5.011 1.00 0.00 C ATOM 648 O ILE A 41 5.251 6.929 5.958 1.00 0.00 O ATOM 649 CB ILE A 41 5.789 6.546 2.558 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.821 6.793 1.451 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.739 7.649 2.549 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.580 8.096 1.594 1.00 0.00 C ATOM 0 H ILE A 41 7.329 4.611 3.440 1.00 0.00 H new ATOM 0 HA ILE A 41 6.942 7.419 4.163 1.00 0.00 H new ATOM 0 HB ILE A 41 5.299 5.592 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.534 5.968 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.313 6.785 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.268 7.695 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.982 7.437 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.214 8.605 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.290 8.196 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.879 8.930 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.119 8.101 2.542 1.00 0.00 H new ATOM 664 N ILE A 42 4.722 5.038 4.868 1.00 0.00 N ATOM 665 CA ILE A 42 3.631 4.701 5.782 1.00 0.00 C ATOM 666 C ILE A 42 3.868 3.369 6.481 1.00 0.00 C ATOM 667 O ILE A 42 3.012 2.902 7.230 1.00 0.00 O ATOM 668 CB ILE A 42 2.270 4.612 5.060 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.305 3.503 4.013 1.00 0.00 C ATOM 670 CG2 ILE A 42 1.907 5.944 4.423 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.944 2.932 3.706 1.00 0.00 C ATOM 0 H ILE A 42 4.889 4.350 4.134 1.00 0.00 H new ATOM 0 HA ILE A 42 3.608 5.510 6.512 1.00 0.00 H new ATOM 0 HB ILE A 42 1.502 4.373 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.744 3.893 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.957 2.703 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.944 5.856 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.845 6.711 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.672 6.220 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.039 2.148 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.512 2.513 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.295 3.722 3.327 1.00 0.00 H new ATOM 683 N GLY A 43 5.022 2.760 6.237 1.00 0.00 N ATOM 684 CA GLY A 43 5.302 1.443 6.789 1.00 0.00 C ATOM 685 C GLY A 43 5.194 1.408 8.297 1.00 0.00 C ATOM 686 O GLY A 43 4.630 0.473 8.865 1.00 0.00 O ATOM 0 H GLY A 43 5.771 3.153 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.608 0.719 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.305 1.135 6.493 1.00 0.00 H new ATOM 690 N GLY A 44 5.718 2.441 8.940 1.00 0.00 N ATOM 691 CA GLY A 44 5.701 2.499 10.386 1.00 0.00 C ATOM 692 C GLY A 44 4.444 3.145 10.934 1.00 0.00 C ATOM 693 O GLY A 44 4.351 3.413 12.131 1.00 0.00 O ATOM 0 H GLY A 44 6.156 3.242 8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.789 1.489 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.571 3.056 10.733 1.00 0.00 H new ATOM 697 N LEU A 45 3.471 3.396 10.069 1.00 0.00 N ATOM 698 CA LEU A 45 2.226 4.003 10.500 1.00 0.00 C ATOM 699 C LEU A 45 1.186 2.931 10.764 1.00 0.00 C ATOM 700 O LEU A 45 1.120 1.932 10.050 1.00 0.00 O ATOM 701 CB LEU A 45 1.711 4.982 9.446 1.00 0.00 C ATOM 702 CG LEU A 45 2.602 6.199 9.199 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.052 7.031 8.055 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.717 7.041 10.461 1.00 0.00 C ATOM 0 H LEU A 45 3.522 3.189 9.071 1.00 0.00 H new ATOM 0 HA LEU A 45 2.413 4.553 11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.586 4.446 8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.723 5.330 9.748 1.00 0.00 H new ATOM 0 HG LEU A 45 3.598 5.849 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.697 7.894 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.017 6.426 7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.047 7.371 8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.355 7.903 10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.727 7.383 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.152 6.441 11.260 1.00 0.00 H new ATOM 716 N GLU A 46 0.393 3.123 11.802 1.00 0.00 N ATOM 717 CA GLU A 46 -0.694 2.209 12.093 1.00 0.00 C ATOM 718 C GLU A 46 -1.789 2.378 11.059 1.00 0.00 C ATOM 719 O GLU A 46 -2.140 3.497 10.696 1.00 0.00 O ATOM 720 CB GLU A 46 -1.227 2.426 13.506 1.00 0.00 C ATOM 721 CG GLU A 46 -0.219 2.052 14.579 1.00 0.00 C ATOM 722 CD GLU A 46 -0.770 2.194 15.979 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.358 1.224 16.490 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.608 3.277 16.577 1.00 0.00 O ATOM 0 H GLU A 46 0.481 3.901 12.455 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.321 1.186 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.508 3.472 13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.133 1.835 13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.104 1.023 14.424 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.664 2.682 14.476 1.00 0.00 H new ATOM 731 N ILE A 47 -2.322 1.261 10.592 1.00 0.00 N ATOM 732 CA ILE A 47 -3.228 1.250 9.450 1.00 0.00 C ATOM 733 C ILE A 47 -4.497 2.074 9.710 1.00 0.00 C ATOM 734 O ILE A 47 -5.140 2.551 8.777 1.00 0.00 O ATOM 735 CB ILE A 47 -3.592 -0.202 9.059 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.146 -0.254 7.634 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.589 -0.798 10.045 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.186 -1.652 7.053 1.00 0.00 C ATOM 0 H ILE A 47 -2.142 0.339 10.990 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.704 1.719 8.617 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.682 -0.800 9.096 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.153 0.162 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.535 0.381 6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.829 -1.819 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.154 -0.804 11.044 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.499 -0.198 10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.590 -1.614 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.177 -2.064 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.820 -2.286 7.673 1.00 0.00 H new ATOM 750 N GLN A 48 -4.837 2.265 10.982 1.00 0.00 N ATOM 751 CA GLN A 48 -6.010 3.052 11.341 1.00 0.00 C ATOM 752 C GLN A 48 -5.651 4.523 11.533 1.00 0.00 C ATOM 753 O GLN A 48 -6.531 5.357 11.745 1.00 0.00 O ATOM 754 CB GLN A 48 -6.641 2.539 12.633 1.00 0.00 C ATOM 755 CG GLN A 48 -7.033 1.073 12.611 1.00 0.00 C ATOM 756 CD GLN A 48 -7.889 0.705 13.806 1.00 0.00 C ATOM 757 OE1 GLN A 48 -8.729 -0.302 13.644 1.00 0.00 O flip ATOM 758 NE2 GLN A 48 -7.786 1.315 14.870 1.00 0.00 N flip ATOM 0 H GLN A 48 -4.320 1.888 11.776 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.719 2.953 10.519 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.941 2.701 13.452 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.528 3.135 12.849 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.578 0.855 11.692 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.135 0.456 12.603 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.125 2.087 14.953 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.362 1.048 15.669 1.00 0.00 H new ATOM 767 N ASP A 49 -4.367 4.841 11.470 1.00 0.00 N ATOM 768 CA ASP A 49 -3.910 6.189 11.795 1.00 0.00 C ATOM 769 C ASP A 49 -3.157 6.817 10.628 1.00 0.00 C ATOM 770 O ASP A 49 -2.600 7.909 10.749 1.00 0.00 O ATOM 771 CB ASP A 49 -3.022 6.154 13.042 1.00 0.00 C ATOM 772 CG ASP A 49 -2.873 7.519 13.680 1.00 0.00 C ATOM 773 OD1 ASP A 49 -3.910 8.160 13.954 1.00 0.00 O ATOM 774 OD2 ASP A 49 -1.730 7.946 13.940 1.00 0.00 O ATOM 0 H ASP A 49 -3.627 4.193 11.200 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.787 6.805 11.995 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.446 5.460 13.768 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.037 5.771 12.773 1.00 0.00 H new ATOM 779 N ILE A 50 -3.151 6.130 9.495 1.00 0.00 N ATOM 780 CA ILE A 50 -2.476 6.634 8.307 1.00 0.00 C ATOM 781 C ILE A 50 -3.245 7.804 7.713 1.00 0.00 C ATOM 782 O ILE A 50 -4.449 7.708 7.453 1.00 0.00 O ATOM 783 CB ILE A 50 -2.306 5.537 7.234 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.444 4.400 7.778 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.689 6.115 5.964 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.268 3.259 6.808 1.00 0.00 C ATOM 0 H ILE A 50 -3.604 5.225 9.373 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.485 6.965 8.618 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.290 5.142 6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.463 4.794 8.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.895 4.020 8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.578 5.325 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.337 6.897 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.711 6.537 6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.645 2.488 7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.243 2.838 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.789 3.624 5.900 1.00 0.00 H new ATOM 798 N GLU A 51 -2.546 8.905 7.507 1.00 0.00 N ATOM 799 CA GLU A 51 -3.155 10.106 6.966 1.00 0.00 C ATOM 800 C GLU A 51 -3.210 10.052 5.439 1.00 0.00 C ATOM 801 O GLU A 51 -2.309 9.510 4.791 1.00 0.00 O ATOM 802 CB GLU A 51 -2.403 11.361 7.429 1.00 0.00 C ATOM 803 CG GLU A 51 -0.910 11.343 7.151 1.00 0.00 C ATOM 804 CD GLU A 51 -0.118 10.685 8.259 1.00 0.00 C ATOM 805 OE1 GLU A 51 -0.038 9.443 8.284 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.414 11.412 9.121 1.00 0.00 O ATOM 0 H GLU A 51 -1.550 8.992 7.708 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.176 10.159 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.840 12.231 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.558 11.487 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.725 10.816 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.557 12.365 7.016 1.00 0.00 H new ATOM 813 N PRO A 52 -4.280 10.611 4.854 1.00 0.00 N ATOM 814 CA PRO A 52 -4.495 10.624 3.400 1.00 0.00 C ATOM 815 C PRO A 52 -3.299 11.161 2.615 1.00 0.00 C ATOM 816 O PRO A 52 -2.871 10.556 1.630 1.00 0.00 O ATOM 817 CB PRO A 52 -5.693 11.559 3.230 1.00 0.00 C ATOM 818 CG PRO A 52 -6.428 11.473 4.521 1.00 0.00 C ATOM 819 CD PRO A 52 -5.386 11.265 5.579 1.00 0.00 C ATOM 0 HA PRO A 52 -4.649 9.616 3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.372 12.580 3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.322 11.249 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.996 12.384 4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.142 10.649 4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.071 12.210 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.758 10.640 6.391 1.00 0.00 H new ATOM 827 N MET A 53 -2.751 12.285 3.061 1.00 0.00 N ATOM 828 CA MET A 53 -1.675 12.948 2.331 1.00 0.00 C ATOM 829 C MET A 53 -0.380 12.143 2.374 1.00 0.00 C ATOM 830 O MET A 53 0.480 12.306 1.511 1.00 0.00 O ATOM 831 CB MET A 53 -1.439 14.360 2.870 1.00 0.00 C ATOM 832 CG MET A 53 -2.603 15.307 2.619 1.00 0.00 C ATOM 833 SD MET A 53 -2.285 16.985 3.201 1.00 0.00 S ATOM 834 CE MET A 53 -0.902 17.449 2.162 1.00 0.00 C ATOM 0 H MET A 53 -3.032 12.756 3.921 1.00 0.00 H new ATOM 0 HA MET A 53 -1.990 13.018 1.290 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.251 14.304 3.942 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.541 14.771 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.819 15.334 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.493 14.919 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.826 18.536 2.122 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.018 17.036 2.575 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.055 17.058 1.156 1.00 0.00 H new ATOM 844 N GLN A 54 -0.241 11.266 3.361 1.00 0.00 N ATOM 845 CA GLN A 54 0.943 10.418 3.442 1.00 0.00 C ATOM 846 C GLN A 54 0.773 9.209 2.526 1.00 0.00 C ATOM 847 O GLN A 54 1.735 8.702 1.949 1.00 0.00 O ATOM 848 CB GLN A 54 1.201 9.969 4.883 1.00 0.00 C ATOM 849 CG GLN A 54 2.538 9.268 5.076 1.00 0.00 C ATOM 850 CD GLN A 54 3.734 10.194 4.922 1.00 0.00 C ATOM 851 OE1 GLN A 54 3.683 11.192 4.204 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.829 9.856 5.583 1.00 0.00 N ATOM 0 H GLN A 54 -0.922 11.124 4.107 1.00 0.00 H new ATOM 0 HA GLN A 54 1.808 10.995 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.159 10.839 5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.401 9.297 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.563 8.816 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.621 8.456 4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.834 9.021 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.668 10.430 5.507 1.00 0.00 H new ATOM 861 N LEU A 55 -0.464 8.762 2.372 1.00 0.00 N ATOM 862 CA LEU A 55 -0.761 7.681 1.446 1.00 0.00 C ATOM 863 C LEU A 55 -0.587 8.182 0.014 1.00 0.00 C ATOM 864 O LEU A 55 -0.047 7.483 -0.849 1.00 0.00 O ATOM 865 CB LEU A 55 -2.181 7.156 1.675 1.00 0.00 C ATOM 866 CG LEU A 55 -2.536 5.876 0.914 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.573 4.755 1.275 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.968 5.460 1.216 1.00 0.00 C ATOM 0 H LEU A 55 -1.273 9.128 2.873 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.071 6.855 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.316 6.974 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.889 7.935 1.392 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.449 6.075 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.841 3.853 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.557 5.050 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.630 4.557 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.205 4.548 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.076 5.279 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.650 6.254 0.912 1.00 0.00 H new ATOM 880 N LEU A 56 -1.020 9.417 -0.223 1.00 0.00 N ATOM 881 CA LEU A 56 -0.796 10.074 -1.505 1.00 0.00 C ATOM 882 C LEU A 56 0.701 10.279 -1.715 1.00 0.00 C ATOM 883 O LEU A 56 1.187 10.261 -2.843 1.00 0.00 O ATOM 884 CB LEU A 56 -1.569 11.410 -1.560 1.00 0.00 C ATOM 885 CG LEU A 56 -1.528 12.190 -2.892 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.311 13.096 -2.963 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.546 11.245 -4.083 1.00 0.00 C ATOM 0 H LEU A 56 -1.528 9.982 0.457 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.171 9.446 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.612 11.208 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.180 12.059 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.423 12.812 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.311 13.631 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.343 13.813 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.595 12.495 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.516 11.823 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.678 10.587 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.457 10.646 -4.059 1.00 0.00 H new ATOM 899 N GLU A 57 1.431 10.438 -0.616 1.00 0.00 N ATOM 900 CA GLU A 57 2.877 10.592 -0.675 1.00 0.00 C ATOM 901 C GLU A 57 3.519 9.329 -1.250 1.00 0.00 C ATOM 902 O GLU A 57 4.519 9.405 -1.962 1.00 0.00 O ATOM 903 CB GLU A 57 3.443 10.894 0.713 1.00 0.00 C ATOM 904 CG GLU A 57 4.810 11.546 0.676 1.00 0.00 C ATOM 905 CD GLU A 57 4.777 12.881 -0.034 1.00 0.00 C ATOM 906 OE1 GLU A 57 4.905 12.906 -1.277 1.00 0.00 O ATOM 907 OE2 GLU A 57 4.611 13.917 0.643 1.00 0.00 O ATOM 0 H GLU A 57 1.043 10.463 0.327 1.00 0.00 H new ATOM 0 HA GLU A 57 3.110 11.432 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.751 11.547 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.506 9.966 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.174 11.685 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.515 10.884 0.173 1.00 0.00 H new ATOM 914 N VAL A 58 2.939 8.171 -0.938 1.00 0.00 N ATOM 915 CA VAL A 58 3.377 6.913 -1.541 1.00 0.00 C ATOM 916 C VAL A 58 3.177 6.950 -3.055 1.00 0.00 C ATOM 917 O VAL A 58 4.114 6.727 -3.824 1.00 0.00 O ATOM 918 CB VAL A 58 2.614 5.697 -0.973 1.00 0.00 C ATOM 919 CG1 VAL A 58 3.085 4.410 -1.639 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.784 5.609 0.535 1.00 0.00 C ATOM 0 H VAL A 58 2.169 8.078 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 58 4.434 6.802 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 58 1.554 5.830 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.536 3.564 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.906 4.469 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.151 4.275 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.238 4.745 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.842 5.504 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.395 6.515 0.999 1.00 0.00 H new ATOM 930 N ILE A 59 1.949 7.244 -3.474 1.00 0.00 N ATOM 931 CA ILE A 59 1.627 7.358 -4.898 1.00 0.00 C ATOM 932 C ILE A 59 2.550 8.377 -5.574 1.00 0.00 C ATOM 933 O ILE A 59 3.091 8.128 -6.653 1.00 0.00 O ATOM 934 CB ILE A 59 0.142 7.765 -5.120 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.799 6.560 -4.980 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.059 8.419 -6.484 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.856 5.961 -3.592 1.00 0.00 C ATOM 0 H ILE A 59 1.159 7.408 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 59 1.780 6.377 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.105 8.491 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.804 6.865 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.485 5.787 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.107 8.691 -6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.558 9.315 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.228 7.719 -7.269 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.545 5.116 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.138 5.620 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.202 6.715 -2.884 1.00 0.00 H new ATOM 949 N ARG A 60 2.747 9.506 -4.907 1.00 0.00 N ATOM 950 CA ARG A 60 3.566 10.588 -5.435 1.00 0.00 C ATOM 951 C ARG A 60 5.047 10.209 -5.435 1.00 0.00 C ATOM 952 O ARG A 60 5.839 10.748 -6.209 1.00 0.00 O ATOM 953 CB ARG A 60 3.323 11.858 -4.615 1.00 0.00 C ATOM 954 CG ARG A 60 3.908 13.109 -5.234 1.00 0.00 C ATOM 955 CD ARG A 60 3.316 14.358 -4.606 1.00 0.00 C ATOM 956 NE ARG A 60 3.652 14.493 -3.191 1.00 0.00 N ATOM 957 CZ ARG A 60 3.727 15.663 -2.555 1.00 0.00 C ATOM 958 NH1 ARG A 60 3.547 16.798 -3.222 1.00 0.00 N ATOM 959 NH2 ARG A 60 4.003 15.700 -1.258 1.00 0.00 N ATOM 0 H ARG A 60 2.346 9.697 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 60 3.281 10.774 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.249 11.996 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.748 11.723 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.990 13.111 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.716 13.112 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.674 15.235 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.232 14.336 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 60 3.840 13.644 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.351 16.776 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.605 17.691 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.158 14.832 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.060 16.596 -0.774 1.00 0.00 H new ATOM 973 N ARG A 61 5.417 9.267 -4.572 1.00 0.00 N ATOM 974 CA ARG A 61 6.777 8.747 -4.547 1.00 0.00 C ATOM 975 C ARG A 61 7.073 8.023 -5.854 1.00 0.00 C ATOM 976 O ARG A 61 8.159 8.151 -6.419 1.00 0.00 O ATOM 977 CB ARG A 61 6.971 7.799 -3.354 1.00 0.00 C ATOM 978 CG ARG A 61 8.349 7.156 -3.297 1.00 0.00 C ATOM 979 CD ARG A 61 9.447 8.201 -3.199 1.00 0.00 C ATOM 980 NE ARG A 61 10.770 7.644 -3.490 1.00 0.00 N ATOM 981 CZ ARG A 61 11.553 8.090 -4.473 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.124 9.064 -5.264 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.748 7.560 -4.675 1.00 0.00 N ATOM 0 H ARG A 61 4.793 8.849 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 61 7.471 9.580 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.800 8.353 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.216 7.014 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.404 6.487 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.504 6.546 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.236 9.013 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.448 8.631 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 61 11.110 6.876 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.199 9.469 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.719 9.409 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.078 6.803 -4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.339 7.908 -5.430 1.00 0.00 H new ATOM 997 N PHE A 62 6.091 7.275 -6.339 1.00 0.00 N ATOM 998 CA PHE A 62 6.220 6.596 -7.621 1.00 0.00 C ATOM 999 C PHE A 62 6.133 7.588 -8.777 1.00 0.00 C ATOM 1000 O PHE A 62 6.738 7.374 -9.830 1.00 0.00 O ATOM 1001 CB PHE A 62 5.154 5.511 -7.775 1.00 0.00 C ATOM 1002 CG PHE A 62 5.365 4.328 -6.874 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.304 3.361 -7.193 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.626 4.181 -5.713 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.502 2.269 -6.371 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.820 3.092 -4.885 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.759 2.134 -5.215 1.00 0.00 C ATOM 0 H PHE A 62 5.200 7.123 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 62 7.201 6.122 -7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.175 5.944 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.141 5.171 -8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.888 3.462 -8.096 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.889 4.926 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.237 1.522 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.238 2.990 -3.981 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.912 1.281 -4.570 1.00 0.00 H new ATOM 1017 N GLU A 63 5.388 8.673 -8.577 1.00 0.00 N ATOM 1018 CA GLU A 63 5.294 9.736 -9.577 1.00 0.00 C ATOM 1019 C GLU A 63 6.660 10.389 -9.771 1.00 0.00 C ATOM 1020 O GLU A 63 7.057 10.703 -10.894 1.00 0.00 O ATOM 1021 CB GLU A 63 4.262 10.789 -9.157 1.00 0.00 C ATOM 1022 CG GLU A 63 4.033 11.877 -10.202 1.00 0.00 C ATOM 1023 CD GLU A 63 3.054 12.942 -9.743 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.845 12.642 -9.655 1.00 0.00 O ATOM 1025 OE2 GLU A 63 3.495 14.087 -9.483 1.00 0.00 O ATOM 0 H GLU A 63 4.841 8.840 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 63 4.969 9.296 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.314 10.293 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.589 11.254 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.986 12.347 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.661 11.420 -11.119 1.00 0.00 H new ATOM 1032 N ASP A 64 7.379 10.566 -8.664 1.00 0.00 N ATOM 1033 CA ASP A 64 8.741 11.099 -8.689 1.00 0.00 C ATOM 1034 C ASP A 64 9.643 10.240 -9.570 1.00 0.00 C ATOM 1035 O ASP A 64 10.505 10.752 -10.286 1.00 0.00 O ATOM 1036 CB ASP A 64 9.310 11.157 -7.268 1.00 0.00 C ATOM 1037 CG ASP A 64 10.761 11.596 -7.231 1.00 0.00 C ATOM 1038 OD1 ASP A 64 11.014 12.814 -7.140 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.658 10.727 -7.285 1.00 0.00 O ATOM 0 H ASP A 64 7.037 10.345 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 64 8.705 12.106 -9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.712 11.845 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.221 10.174 -6.806 1.00 0.00 H new ATOM 1044 N ARG A 65 9.422 8.930 -9.521 1.00 0.00 N ATOM 1045 CA ARG A 65 10.203 7.993 -10.318 1.00 0.00 C ATOM 1046 C ARG A 65 9.768 8.031 -11.779 1.00 0.00 C ATOM 1047 O ARG A 65 10.528 7.656 -12.674 1.00 0.00 O ATOM 1048 CB ARG A 65 10.042 6.560 -9.800 1.00 0.00 C ATOM 1049 CG ARG A 65 10.405 6.367 -8.340 1.00 0.00 C ATOM 1050 CD ARG A 65 10.390 4.890 -7.981 1.00 0.00 C ATOM 1051 NE ARG A 65 10.672 4.651 -6.569 1.00 0.00 N ATOM 1052 CZ ARG A 65 11.895 4.497 -6.064 1.00 0.00 C ATOM 1053 NH1 ARG A 65 12.970 4.631 -6.833 1.00 0.00 N ATOM 1054 NH2 ARG A 65 12.038 4.222 -4.781 1.00 0.00 N ATOM 0 H ARG A 65 8.708 8.494 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 65 11.247 8.294 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.007 6.250 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.662 5.898 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.393 6.785 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.700 6.908 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.415 4.470 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.127 4.365 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 65 9.881 4.598 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.864 4.854 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.901 4.511 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.216 4.129 -4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.971 4.102 -4.386 1.00 0.00 H new ATOM 1068 N GLY A 66 8.539 8.475 -12.012 1.00 0.00 N ATOM 1069 CA GLY A 66 7.978 8.431 -13.345 1.00 0.00 C ATOM 1070 C GLY A 66 7.242 7.131 -13.587 1.00 0.00 C ATOM 1071 O GLY A 66 6.808 6.845 -14.705 1.00 0.00 O ATOM 0 H GLY A 66 7.922 8.865 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.295 9.269 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.774 8.544 -14.081 1.00 0.00 H new ATOM 1075 N ALA A 67 7.093 6.349 -12.527 1.00 0.00 N ATOM 1076 CA ALA A 67 6.424 5.063 -12.607 1.00 0.00 C ATOM 1077 C ALA A 67 4.932 5.229 -12.358 1.00 0.00 C ATOM 1078 O ALA A 67 4.466 5.138 -11.222 1.00 0.00 O ATOM 1079 CB ALA A 67 7.028 4.082 -11.611 1.00 0.00 C ATOM 0 H ALA A 67 7.431 6.588 -11.595 1.00 0.00 H new ATOM 0 HA ALA A 67 6.565 4.660 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.513 3.124 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.086 3.944 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.917 4.475 -10.600 1.00 0.00 H new ATOM 1085 N MET A 68 4.191 5.487 -13.424 1.00 0.00 N ATOM 1086 CA MET A 68 2.765 5.752 -13.315 1.00 0.00 C ATOM 1087 C MET A 68 2.008 4.466 -13.003 1.00 0.00 C ATOM 1088 O MET A 68 1.024 4.480 -12.257 1.00 0.00 O ATOM 1089 CB MET A 68 2.239 6.379 -14.607 1.00 0.00 C ATOM 1090 CG MET A 68 0.874 7.038 -14.465 1.00 0.00 C ATOM 1091 SD MET A 68 0.965 8.763 -13.926 1.00 0.00 S ATOM 1092 CE MET A 68 1.717 8.623 -12.302 1.00 0.00 C ATOM 0 H MET A 68 4.554 5.519 -14.377 1.00 0.00 H new ATOM 0 HA MET A 68 2.605 6.456 -12.498 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.956 7.123 -14.956 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.181 5.608 -15.375 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.354 6.990 -15.422 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.278 6.472 -13.750 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.587 9.559 -11.759 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.240 7.814 -11.749 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.781 8.411 -12.411 1.00 0.00 H new ATOM 1102 N GLU A 69 2.487 3.356 -13.561 1.00 0.00 N ATOM 1103 CA GLU A 69 1.883 2.053 -13.316 1.00 0.00 C ATOM 1104 C GLU A 69 1.944 1.722 -11.835 1.00 0.00 C ATOM 1105 O GLU A 69 0.924 1.453 -11.203 1.00 0.00 O ATOM 1106 CB GLU A 69 2.610 0.958 -14.100 1.00 0.00 C ATOM 1107 CG GLU A 69 2.055 -0.437 -13.846 1.00 0.00 C ATOM 1108 CD GLU A 69 2.992 -1.536 -14.301 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.175 -1.701 -15.526 1.00 0.00 O ATOM 1110 OE2 GLU A 69 3.558 -2.237 -13.439 1.00 0.00 O ATOM 0 H GLU A 69 3.293 3.336 -14.186 1.00 0.00 H new ATOM 0 HA GLU A 69 0.845 2.097 -13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.544 1.179 -15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.668 0.974 -13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.855 -0.555 -12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.101 -0.543 -14.363 1.00 0.00 H new ATOM 1117 N ARG A 70 3.151 1.778 -11.287 1.00 0.00 N ATOM 1118 CA ARG A 70 3.385 1.409 -9.901 1.00 0.00 C ATOM 1119 C ARG A 70 2.707 2.390 -8.954 1.00 0.00 C ATOM 1120 O ARG A 70 2.374 2.039 -7.828 1.00 0.00 O ATOM 1121 CB ARG A 70 4.886 1.339 -9.619 1.00 0.00 C ATOM 1122 CG ARG A 70 5.642 0.446 -10.591 1.00 0.00 C ATOM 1123 CD ARG A 70 7.098 0.278 -10.190 1.00 0.00 C ATOM 1124 NE ARG A 70 7.877 -0.375 -11.238 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.474 -1.561 -11.110 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.360 -2.260 -9.985 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.179 -2.048 -12.121 1.00 0.00 N ATOM 0 H ARG A 70 3.988 2.078 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 70 2.951 0.424 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.303 2.345 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.041 0.972 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.162 -0.532 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.588 0.872 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.530 1.255 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.157 -0.309 -9.274 1.00 0.00 H new ATOM 0 HE ARG A 70 7.971 0.110 -12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.812 -1.891 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.821 -3.166 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.262 -1.517 -12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.639 -2.954 -12.032 1.00 0.00 H new ATOM 1141 N ALA A 71 2.490 3.616 -9.421 1.00 0.00 N ATOM 1142 CA ALA A 71 1.768 4.611 -8.639 1.00 0.00 C ATOM 1143 C ALA A 71 0.314 4.186 -8.452 1.00 0.00 C ATOM 1144 O ALA A 71 -0.206 4.163 -7.332 1.00 0.00 O ATOM 1145 CB ALA A 71 1.838 5.974 -9.314 1.00 0.00 C ATOM 0 H ALA A 71 2.803 3.943 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 71 2.238 4.687 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.293 6.705 -8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.880 6.283 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.391 5.912 -10.306 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.335 3.829 -9.554 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.726 3.381 -9.509 1.00 0.00 C ATOM 1153 C ASN A 72 -1.815 1.998 -8.881 1.00 0.00 C ATOM 1154 O ASN A 72 -2.829 1.630 -8.284 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.339 3.349 -10.914 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.730 4.722 -11.435 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -1.984 5.752 -11.057 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 -3.694 4.854 -12.184 1.00 0.00 N flip ATOM 0 H ASN A 72 0.076 3.840 -10.488 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.287 4.090 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.626 2.897 -11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.221 2.708 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.245 4.039 -12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.943 5.778 -12.536 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.742 1.237 -9.026 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.668 -0.105 -8.477 1.00 0.00 C ATOM 1167 C LYS A 73 -0.501 -0.057 -6.962 1.00 0.00 C ATOM 1168 O LYS A 73 -1.079 -0.872 -6.247 1.00 0.00 O ATOM 1169 CB LYS A 73 0.483 -0.866 -9.135 1.00 0.00 C ATOM 1170 CG LYS A 73 0.582 -2.325 -8.728 1.00 0.00 C ATOM 1171 CD LYS A 73 1.440 -3.100 -9.710 1.00 0.00 C ATOM 1172 CE LYS A 73 1.579 -4.556 -9.307 1.00 0.00 C ATOM 1173 NZ LYS A 73 2.135 -5.379 -10.411 1.00 0.00 N ATOM 0 H LYS A 73 0.097 1.531 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.599 -0.631 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.368 -0.810 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.420 -0.368 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.008 -2.400 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.415 -2.764 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.000 -3.038 -10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.428 -2.643 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.227 -4.632 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.605 -4.948 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.782 -6.354 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.840 -4.979 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.173 -5.381 -10.354 1.00 0.00 H new ATOM 1187 N ALA A 74 0.279 0.907 -6.481 1.00 0.00 N ATOM 1188 CA ALA A 74 0.442 1.118 -5.048 1.00 0.00 C ATOM 1189 C ALA A 74 -0.905 1.397 -4.401 1.00 0.00 C ATOM 1190 O ALA A 74 -1.283 0.739 -3.435 1.00 0.00 O ATOM 1191 CB ALA A 74 1.401 2.266 -4.778 1.00 0.00 C ATOM 0 H ALA A 74 0.808 1.555 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 74 0.861 0.210 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.508 2.406 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.374 2.037 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.010 3.180 -5.225 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.635 2.356 -4.966 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.963 2.713 -4.474 1.00 0.00 C ATOM 1199 C ARG A 75 -3.851 1.479 -4.331 1.00 0.00 C ATOM 1200 O ARG A 75 -4.463 1.251 -3.286 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.628 3.711 -5.428 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.077 4.012 -5.077 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.740 4.911 -6.108 1.00 0.00 C ATOM 1204 NE ARG A 75 -7.124 5.211 -5.750 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.017 5.742 -6.585 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.657 6.105 -7.811 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.272 5.919 -6.192 1.00 0.00 N ATOM 0 H ARG A 75 -1.326 2.903 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.842 3.169 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.060 4.641 -5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.583 3.317 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.633 3.077 -5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.121 4.490 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.177 5.840 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.713 4.427 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.427 5.000 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.693 5.978 -8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.345 6.511 -8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.554 5.649 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.954 6.325 -6.832 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.903 0.680 -5.386 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.784 -0.477 -5.418 1.00 0.00 C ATOM 1223 C ARG A 76 -4.275 -1.602 -4.521 1.00 0.00 C ATOM 1224 O ARG A 76 -5.064 -2.398 -4.009 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.971 -0.966 -6.853 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.760 0.011 -7.712 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.046 -0.543 -9.096 1.00 0.00 C ATOM 1228 NE ARG A 76 -4.854 -0.579 -9.942 1.00 0.00 N ATOM 1229 CZ ARG A 76 -4.782 -1.273 -11.078 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.778 -2.079 -11.419 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -3.703 -1.180 -11.850 1.00 0.00 N ATOM 0 H ARG A 76 -3.346 0.811 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.753 -0.166 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.993 -1.133 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.484 -1.928 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.701 0.250 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.203 0.943 -7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.453 -1.550 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.811 0.067 -9.577 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.036 -0.046 -9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.594 -2.166 -10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.728 -2.612 -12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.928 -0.577 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.650 -1.712 -12.719 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.964 -1.667 -4.311 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.399 -2.699 -3.456 1.00 0.00 C ATOM 1247 C ARG A 77 -2.581 -2.322 -1.992 1.00 0.00 C ATOM 1248 O ARG A 77 -2.809 -3.184 -1.147 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.918 -2.939 -3.767 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.484 -4.386 -3.577 1.00 0.00 C ATOM 1251 CD ARG A 77 -1.005 -5.295 -4.689 1.00 0.00 C ATOM 1252 NE ARG A 77 -2.471 -5.327 -4.767 1.00 0.00 N ATOM 1253 CZ ARG A 77 -3.155 -5.208 -5.909 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -2.505 -5.098 -7.060 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -4.485 -5.219 -5.906 1.00 0.00 N ATOM 0 H ARG A 77 -2.282 -1.025 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.932 -3.629 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.718 -2.640 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.312 -2.299 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.604 -4.436 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.845 -4.749 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.604 -4.957 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.633 -6.307 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.997 -5.447 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.485 -5.104 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.025 -5.007 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.992 -5.319 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.998 -5.127 -6.783 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.491 -1.030 -1.698 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.763 -0.539 -0.355 1.00 0.00 C ATOM 1271 C CYS A 78 -4.233 -0.750 -0.005 1.00 0.00 C ATOM 1272 O CYS A 78 -4.565 -1.130 1.116 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.393 0.939 -0.225 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.626 1.272 -0.405 1.00 0.00 S ATOM 0 H CYS A 78 -2.233 -0.307 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.148 -1.104 0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.938 1.507 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.723 1.302 0.748 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.295 1.193 -1.660 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.112 -0.511 -0.979 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.526 -0.787 -0.792 1.00 0.00 C ATOM 1282 C GLY A 79 -6.785 -2.257 -0.515 1.00 0.00 C ATOM 1283 O GLY A 79 -7.707 -2.608 0.223 1.00 0.00 O ATOM 0 H GLY A 79 -4.868 -0.131 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.906 -0.189 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.076 -0.483 -1.683 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.967 -3.109 -1.117 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.014 -4.546 -0.878 1.00 0.00 C ATOM 1289 C GLU A 80 -5.631 -4.855 0.572 1.00 0.00 C ATOM 1290 O GLU A 80 -6.283 -5.657 1.241 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.068 -5.241 -1.866 1.00 0.00 C ATOM 1292 CG GLU A 80 -4.748 -6.692 -1.547 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.936 -7.624 -1.634 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -6.854 -7.354 -2.435 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.935 -8.647 -0.912 1.00 0.00 O ATOM 0 H GLU A 80 -5.251 -2.824 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.026 -4.919 -1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.510 -5.194 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.134 -4.680 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.976 -7.041 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.330 -6.747 -0.542 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.585 -4.193 1.059 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.160 -4.351 2.447 1.00 0.00 C ATOM 1304 C VAL A 81 -5.238 -3.829 3.399 1.00 0.00 C ATOM 1305 O VAL A 81 -5.515 -4.438 4.433 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.829 -3.617 2.726 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.385 -3.825 4.168 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.744 -4.085 1.768 1.00 0.00 C ATOM 0 H VAL A 81 -4.017 -3.544 0.515 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.005 -5.416 2.617 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.995 -2.551 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.446 -3.299 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.147 -3.436 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.243 -4.889 4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.816 -3.555 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.587 -5.157 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.051 -3.879 0.742 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.851 -2.703 3.036 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.951 -2.144 3.818 1.00 0.00 C ATOM 1320 C PHE A 82 -8.105 -3.136 3.895 1.00 0.00 C ATOM 1321 O PHE A 82 -8.693 -3.337 4.956 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.440 -0.822 3.217 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.458 0.311 3.341 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.763 0.520 4.521 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -6.239 1.171 2.279 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.865 1.565 4.637 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -5.343 2.216 2.388 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.654 2.413 3.569 1.00 0.00 C ATOM 0 H PHE A 82 -5.605 -2.162 2.207 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.580 -1.948 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.668 -0.977 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.372 -0.536 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.924 -0.141 5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.776 1.023 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.329 1.717 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.181 2.879 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.952 3.229 3.656 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.415 -3.757 2.761 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.438 -4.794 2.703 1.00 0.00 C ATOM 1340 C ARG A 83 -9.100 -5.926 3.669 1.00 0.00 C ATOM 1341 O ARG A 83 -9.939 -6.340 4.473 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.558 -5.339 1.277 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.355 -6.629 1.182 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.370 -7.175 -0.234 1.00 0.00 C ATOM 1345 NE ARG A 83 -10.898 -8.535 -0.283 1.00 0.00 N ATOM 1346 CZ ARG A 83 -11.572 -9.036 -1.315 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -11.855 -8.270 -2.362 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -11.974 -10.304 -1.293 1.00 0.00 N ATOM 0 H ARG A 83 -7.969 -3.558 1.865 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.393 -4.357 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.029 -4.584 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.558 -5.509 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.926 -7.372 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.378 -6.451 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.975 -6.527 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.358 -7.163 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.740 -9.139 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.556 -7.295 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.372 -8.657 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.765 -10.891 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.491 -10.689 -2.084 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.864 -6.407 3.591 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.389 -7.473 4.460 1.00 0.00 C ATOM 1364 C TYR A 84 -7.564 -7.084 5.924 1.00 0.00 C ATOM 1365 O TYR A 84 -8.008 -7.885 6.743 1.00 0.00 O ATOM 1366 CB TYR A 84 -5.914 -7.764 4.162 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.339 -8.946 4.915 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.451 -10.235 4.408 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -4.668 -8.774 6.122 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.916 -11.315 5.081 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.127 -9.851 6.798 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.255 -11.118 6.273 1.00 0.00 C ATOM 1373 OH TYR A 84 -3.721 -12.195 6.941 1.00 0.00 O ATOM 0 H TYR A 84 -7.168 -6.070 2.926 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.976 -8.372 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.801 -7.942 3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.327 -6.877 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.965 -10.394 3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.568 -7.782 6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.015 -12.311 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.607 -9.700 7.732 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.604 -11.968 7.887 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.233 -5.838 6.234 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.310 -5.336 7.598 1.00 0.00 C ATOM 1385 C ALA A 85 -8.754 -5.241 8.088 1.00 0.00 C ATOM 1386 O ALA A 85 -9.032 -5.476 9.262 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.629 -3.985 7.703 1.00 0.00 C ATOM 0 H ALA A 85 -6.906 -5.152 5.553 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.791 -6.048 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.695 -3.623 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.581 -4.083 7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.121 -3.277 7.036 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.670 -4.893 7.195 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.086 -4.838 7.549 1.00 0.00 C ATOM 1395 C ILE A 86 -11.609 -6.242 7.849 1.00 0.00 C ATOM 1396 O ILE A 86 -12.327 -6.458 8.829 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.929 -4.186 6.426 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.489 -2.731 6.216 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.416 -4.249 6.758 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.201 -2.030 5.077 1.00 0.00 C ATOM 0 H ILE A 86 -9.463 -4.646 6.227 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.182 -4.219 8.441 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.764 -4.742 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.662 -2.174 7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.416 -2.710 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.988 -3.785 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.721 -5.290 6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.603 -3.717 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.834 -1.007 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.008 -2.562 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.273 -2.016 5.272 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.208 -7.199 7.021 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.616 -8.589 7.190 1.00 0.00 C ATOM 1414 C VAL A 87 -10.992 -9.192 8.451 1.00 0.00 C ATOM 1415 O VAL A 87 -11.608 -10.020 9.127 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.229 -9.437 5.957 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.650 -10.888 6.133 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.849 -8.854 4.696 1.00 0.00 C ATOM 0 H VAL A 87 -10.597 -7.037 6.221 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.701 -8.601 7.294 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.144 -9.411 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.364 -11.459 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.157 -11.306 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.731 -10.940 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.567 -9.463 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.935 -8.846 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.490 -7.835 4.552 1.00 0.00 H new ATOM 1428 N THR A 88 -9.778 -8.766 8.776 1.00 0.00 N ATOM 1429 CA THR A 88 -9.082 -9.267 9.958 1.00 0.00 C ATOM 1430 C THR A 88 -9.481 -8.490 11.214 1.00 0.00 C ATOM 1431 O THR A 88 -8.989 -8.764 12.310 1.00 0.00 O ATOM 1432 CB THR A 88 -7.551 -9.206 9.774 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.170 -7.929 9.252 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.078 -10.304 8.836 1.00 0.00 C ATOM 0 H THR A 88 -9.254 -8.075 8.239 1.00 0.00 H new ATOM 0 HA THR A 88 -9.380 -10.308 10.084 1.00 0.00 H new ATOM 0 HB THR A 88 -7.083 -9.353 10.747 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.174 -7.962 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.996 -10.243 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.344 -11.276 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.554 -10.182 7.863 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.374 -7.520 11.042 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.876 -6.752 12.167 1.00 0.00 C ATOM 1444 C GLY A 89 -9.828 -5.841 12.768 1.00 0.00 C ATOM 1445 O GLY A 89 -9.842 -5.572 13.970 1.00 0.00 O ATOM 0 H GLY A 89 -10.761 -7.251 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.728 -6.154 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.240 -7.435 12.934 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.913 -5.370 11.935 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.856 -4.478 12.386 1.00 0.00 C ATOM 1451 C ARG A 90 -8.016 -3.089 11.778 1.00 0.00 C ATOM 1452 O ARG A 90 -7.249 -2.180 12.086 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.481 -5.048 12.036 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.110 -6.284 12.835 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.717 -6.766 12.476 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.273 -7.865 13.332 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.104 -8.486 13.190 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -2.275 -8.120 12.221 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -2.769 -9.471 14.010 1.00 0.00 N ATOM 0 H ARG A 90 -8.881 -5.591 10.940 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.934 -4.391 13.470 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.459 -5.293 10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.726 -4.279 12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.158 -6.060 13.901 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.834 -7.076 12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.704 -7.091 11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.015 -5.936 12.560 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.894 -8.173 14.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.534 -7.364 11.587 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.379 -8.594 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.407 -9.756 14.753 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.873 -9.945 13.899 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.006 -2.925 10.912 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.290 -1.624 10.322 1.00 0.00 C ATOM 1475 C ALA A 91 -10.788 -1.378 10.248 1.00 0.00 C ATOM 1476 O ALA A 91 -11.546 -2.231 9.790 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.663 -1.502 8.943 1.00 0.00 C ATOM 0 H ALA A 91 -9.625 -3.674 10.603 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.848 -0.863 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.891 -0.521 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.582 -1.621 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.066 -2.277 8.290 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.204 -0.211 10.719 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.609 0.172 10.694 1.00 0.00 C ATOM 1485 C LYS A 92 -12.902 1.039 9.472 1.00 0.00 C ATOM 1486 O LYS A 92 -13.979 0.961 8.878 1.00 0.00 O ATOM 1487 CB LYS A 92 -12.961 0.930 11.978 1.00 0.00 C ATOM 1488 CG LYS A 92 -14.405 1.398 12.049 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.651 2.228 13.299 1.00 0.00 C ATOM 1490 CE LYS A 92 -16.072 2.768 13.347 1.00 0.00 C ATOM 1491 NZ LYS A 92 -17.085 1.681 13.392 1.00 0.00 N ATOM 0 H LYS A 92 -10.585 0.491 11.125 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.220 -0.728 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.757 0.287 12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -12.305 1.796 12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.643 1.988 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.071 0.535 12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -14.464 1.618 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.945 3.058 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.187 3.406 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.251 3.393 12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.024 2.089 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.098 1.181 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -16.843 1.012 14.150 1.00 0.00 H new ATOM 1505 N TYR A 93 -11.924 1.855 9.101 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.055 2.777 7.982 1.00 0.00 C ATOM 1507 C TYR A 93 -10.735 2.863 7.232 1.00 0.00 C ATOM 1508 O TYR A 93 -9.668 2.788 7.841 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.469 4.166 8.491 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.511 5.241 7.424 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.570 5.324 6.528 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.491 6.178 7.320 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.610 6.310 5.559 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.525 7.166 6.357 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.585 7.229 5.479 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.619 8.217 4.518 1.00 0.00 O ATOM 0 H TYR A 93 -11.018 1.896 9.568 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.825 2.411 7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.454 4.091 8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.774 4.474 9.272 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.375 4.607 6.589 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.657 6.133 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.439 6.360 4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.724 7.887 6.292 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.721 8.344 4.148 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.806 3.003 5.918 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.611 3.134 5.102 1.00 0.00 C ATOM 1528 C ASN A 94 -9.628 4.455 4.340 1.00 0.00 C ATOM 1529 O ASN A 94 -10.642 4.830 3.752 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.469 1.947 4.135 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.620 1.808 3.147 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.764 2.170 3.433 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.324 1.267 1.974 1.00 0.00 N ATOM 0 H ASN A 94 -11.680 3.029 5.394 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.745 3.129 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.538 2.055 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.389 1.027 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.054 1.138 1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.366 0.979 1.772 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.500 5.183 4.348 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.388 6.492 3.691 1.00 0.00 C ATOM 1542 C PRO A 95 -8.246 6.389 2.172 1.00 0.00 C ATOM 1543 O PRO A 95 -7.580 7.207 1.543 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.115 7.077 4.304 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.283 5.893 4.654 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.244 4.794 5.019 1.00 0.00 C ATOM 0 HA PRO A 95 -9.281 7.098 3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.599 7.728 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.340 7.677 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.655 5.597 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.616 6.119 5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.890 3.823 4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.374 4.719 6.099 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.900 5.395 1.586 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.836 5.173 0.145 1.00 0.00 C ATOM 1556 C ALA A 96 -9.538 6.297 -0.634 1.00 0.00 C ATOM 1557 O ALA A 96 -8.969 6.827 -1.590 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.411 3.809 -0.212 1.00 0.00 C ATOM 0 H ALA A 96 -9.484 4.726 2.088 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.787 5.188 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.355 3.661 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.839 3.030 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.452 3.758 0.107 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.781 6.689 -0.256 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.456 7.834 -0.882 1.00 0.00 C ATOM 1566 C PRO A 97 -10.667 9.127 -0.688 1.00 0.00 C ATOM 1567 O PRO A 97 -10.624 9.980 -1.574 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.807 7.914 -0.156 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.622 7.133 1.097 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.637 6.053 0.764 1.00 0.00 C ATOM 0 HA PRO A 97 -11.557 7.708 -1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.077 8.948 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.608 7.496 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.250 7.767 1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.567 6.709 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.063 5.746 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.131 5.161 0.378 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.029 9.253 0.473 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.218 10.424 0.790 1.00 0.00 C ATOM 1580 C ASP A 98 -7.992 10.476 -0.111 1.00 0.00 C ATOM 1581 O ASP A 98 -7.564 11.546 -0.545 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.778 10.390 2.253 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.941 10.326 3.220 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.507 11.389 3.551 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.289 9.209 3.664 1.00 0.00 O ATOM 0 H ASP A 98 -10.059 8.553 1.214 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.824 11.315 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.132 9.526 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.182 11.277 2.468 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.432 9.301 -0.381 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.315 9.154 -1.306 1.00 0.00 C ATOM 1592 C LEU A 99 -6.676 9.763 -2.661 1.00 0.00 C ATOM 1593 O LEU A 99 -5.928 10.570 -3.217 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.969 7.656 -1.436 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.789 7.276 -2.346 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.165 7.353 -3.815 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.589 8.159 -2.066 1.00 0.00 C ATOM 0 H LEU A 99 -7.741 8.423 0.036 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.441 9.684 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.761 7.271 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.855 7.136 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.527 6.242 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.305 7.077 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.988 6.667 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.472 8.370 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.766 7.873 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.853 9.201 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.284 8.039 -1.026 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.838 9.384 -3.172 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.302 9.869 -4.463 1.00 0.00 C ATOM 1611 C ALA A 100 -8.711 11.335 -4.380 1.00 0.00 C ATOM 1612 O ALA A 100 -8.705 12.055 -5.382 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.465 9.024 -4.952 1.00 0.00 C ATOM 0 H ALA A 100 -8.479 8.739 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.480 9.786 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.804 9.396 -5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.144 7.987 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.283 9.081 -4.234 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.070 11.769 -3.182 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.490 13.145 -2.957 1.00 0.00 C ATOM 1621 C ASP A 101 -8.316 14.096 -3.132 1.00 0.00 C ATOM 1622 O ASP A 101 -8.405 15.077 -3.874 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.088 13.300 -1.559 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.778 14.630 -1.376 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.962 14.741 -1.759 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.148 15.571 -0.855 1.00 0.00 O ATOM 0 H ASP A 101 -9.079 11.185 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.254 13.394 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.801 12.495 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.298 13.197 -0.815 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.214 13.786 -2.465 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.998 14.584 -2.584 1.00 0.00 C ATOM 1633 C ALA A 102 -5.436 14.496 -3.995 1.00 0.00 C ATOM 1634 O ALA A 102 -4.903 15.468 -4.519 1.00 0.00 O ATOM 1635 CB ALA A 102 -4.952 14.135 -1.577 1.00 0.00 C ATOM 0 H ALA A 102 -7.135 12.988 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.257 15.622 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.056 14.746 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.347 14.248 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.702 13.089 -1.754 1.00 0.00 H new ATOM 1641 N MET A 103 -5.566 13.321 -4.604 1.00 0.00 N ATOM 1642 CA MET A 103 -5.121 13.108 -5.980 1.00 0.00 C ATOM 1643 C MET A 103 -5.762 14.122 -6.930 1.00 0.00 C ATOM 1644 O MET A 103 -5.103 14.634 -7.839 1.00 0.00 O ATOM 1645 CB MET A 103 -5.453 11.681 -6.429 1.00 0.00 C ATOM 1646 CG MET A 103 -4.851 11.302 -7.775 1.00 0.00 C ATOM 1647 SD MET A 103 -5.359 9.662 -8.327 1.00 0.00 S ATOM 1648 CE MET A 103 -4.583 8.640 -7.080 1.00 0.00 C ATOM 0 H MET A 103 -5.978 12.498 -4.165 1.00 0.00 H new ATOM 0 HA MET A 103 -4.041 13.249 -6.012 1.00 0.00 H new ATOM 0 HB2 MET A 103 -5.098 10.981 -5.673 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.536 11.570 -6.482 1.00 0.00 H new ATOM 0 HG2 MET A 103 -5.146 12.040 -8.521 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.764 11.337 -7.705 1.00 0.00 H new ATOM 0 HE1 MET A 103 -4.065 7.810 -7.561 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.867 9.236 -6.515 1.00 0.00 H new ATOM 0 HE3 MET A 103 -5.344 8.250 -6.404 1.00 0.00 H new ATOM 1658 N LYS A 104 -7.039 14.421 -6.708 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.746 15.400 -7.534 1.00 0.00 C ATOM 1660 C LYS A 104 -7.219 16.805 -7.277 1.00 0.00 C ATOM 1661 O LYS A 104 -6.965 17.564 -8.211 1.00 0.00 O ATOM 1662 CB LYS A 104 -9.254 15.373 -7.271 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.891 14.008 -7.452 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.407 14.102 -7.440 1.00 0.00 C ATOM 1665 CE LYS A 104 -12.049 12.749 -7.200 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.829 12.278 -5.807 1.00 0.00 N ATOM 0 H LYS A 104 -7.604 14.003 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.567 15.129 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.441 15.717 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.741 16.081 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.559 13.571 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.559 13.341 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.723 14.798 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.754 14.507 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.119 12.813 -7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.638 12.021 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.502 11.516 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.857 11.921 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.974 13.068 -5.146 1.00 0.00 H new