USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 63 THR OG1 : rot -71:sc= 0.574 USER MOD Set 1.2: A 64 SER OG : rot -132:sc= 0.0162 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -3.01! C(o=-3!,f=-3.6!) USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= 0.0378 K(o=0.038,f=-0.82) USER MOD Single : A 20 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.017) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 1.24 (180deg=1.06) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00835 USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 2.49 (180deg=0.355) USER MOD Single : A 29 SER OG : rot 100:sc= 0.828 USER MOD Single : A 43 THR OG1 : rot 34:sc= 0.131 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1.32 (180deg=1.12) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 2.44 (180deg=2.39) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 71 ASN : amide:sc=-0.00694 X(o=-0.0069,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -170:sc= -3.57! (180deg=-3.96!) USER MOD Single : A 81 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.57) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -120:sc= -0.337 USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.039) USER MOD Single : A 88 MET CE :methyl -162:sc= -0.101 (180deg=-0.527) USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.08) USER MOD Single : A 93 MET CE :methyl 176:sc= -1.7 (180deg=-1.74) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.729 1.600 -6.866 1.00 0.00 N ATOM 94 CA GLU A 9 5.348 1.303 -7.171 1.00 0.00 C ATOM 95 C GLU A 9 5.186 -0.188 -7.469 1.00 0.00 C ATOM 96 O GLU A 9 4.192 -0.812 -7.069 1.00 0.00 O ATOM 97 CB GLU A 9 4.924 2.129 -8.363 1.00 0.00 C ATOM 98 CG GLU A 9 3.476 1.948 -8.773 1.00 0.00 C ATOM 99 CD GLU A 9 3.199 2.539 -10.120 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.195 3.770 -10.257 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.983 1.770 -11.088 1.00 0.00 O ATOM 0 HA GLU A 9 4.718 1.550 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.095 3.182 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.562 1.876 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.232 0.886 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.828 2.415 -8.031 1.00 0.00 H new ATOM 108 N TRP A 10 6.176 -0.751 -8.155 1.00 0.00 N ATOM 109 CA TRP A 10 6.204 -2.168 -8.472 1.00 0.00 C ATOM 110 C TRP A 10 6.123 -3.002 -7.205 1.00 0.00 C ATOM 111 O TRP A 10 5.355 -3.953 -7.139 1.00 0.00 O ATOM 112 CB TRP A 10 7.470 -2.542 -9.279 1.00 0.00 C ATOM 113 CG TRP A 10 7.684 -4.023 -9.453 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.136 -4.832 -10.398 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.509 -4.863 -8.633 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.562 -6.123 -10.215 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.406 -6.167 -9.136 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.321 -4.630 -7.519 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.084 -7.240 -8.560 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.987 -5.689 -6.950 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.868 -6.976 -7.468 1.00 0.00 C ATOM 0 H TRP A 10 6.982 -0.233 -8.506 1.00 0.00 H new ATOM 0 HA TRP A 10 5.334 -2.384 -9.092 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.408 -2.078 -10.264 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.342 -2.118 -8.781 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.464 -4.506 -11.178 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.294 -6.922 -10.790 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.423 -3.635 -7.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.995 -8.240 -8.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.613 -5.520 -6.086 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.407 -7.785 -6.998 1.00 0.00 H new ATOM 132 N THR A 11 6.888 -2.635 -6.195 1.00 0.00 N ATOM 133 CA THR A 11 6.897 -3.394 -4.965 1.00 0.00 C ATOM 134 C THR A 11 5.501 -3.399 -4.324 1.00 0.00 C ATOM 135 O THR A 11 5.038 -4.419 -3.831 1.00 0.00 O ATOM 136 CB THR A 11 7.977 -2.897 -3.973 1.00 0.00 C ATOM 137 OG1 THR A 11 9.238 -2.780 -4.663 1.00 0.00 O ATOM 138 CG2 THR A 11 8.141 -3.912 -2.851 1.00 0.00 C ATOM 0 H THR A 11 7.505 -1.823 -6.203 1.00 0.00 H new ATOM 0 HA THR A 11 7.162 -4.421 -5.217 1.00 0.00 H new ATOM 0 HB THR A 11 7.674 -1.932 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.924 -2.464 -4.039 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.901 -3.562 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.193 -4.031 -2.326 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.446 -4.871 -3.270 1.00 0.00 H new ATOM 146 N LEU A 12 4.821 -2.277 -4.427 1.00 0.00 N ATOM 147 CA LEU A 12 3.469 -2.145 -3.926 1.00 0.00 C ATOM 148 C LEU A 12 2.506 -3.027 -4.697 1.00 0.00 C ATOM 149 O LEU A 12 1.805 -3.852 -4.102 1.00 0.00 O ATOM 150 CB LEU A 12 3.016 -0.704 -4.020 1.00 0.00 C ATOM 151 CG LEU A 12 3.663 0.270 -3.059 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.203 1.682 -3.358 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.309 -0.107 -1.630 1.00 0.00 C ATOM 0 H LEU A 12 5.190 -1.430 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 12 3.470 -2.463 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.199 -0.354 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.938 -0.674 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 12 4.745 0.225 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.675 2.374 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.483 1.948 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.120 1.742 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.777 0.597 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.227 -0.074 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.669 -1.114 -1.420 1.00 0.00 H new ATOM 165 N GLN A 13 2.493 -2.876 -6.025 1.00 0.00 N ATOM 166 CA GLN A 13 1.566 -3.625 -6.865 1.00 0.00 C ATOM 167 C GLN A 13 1.757 -5.120 -6.686 1.00 0.00 C ATOM 168 O GLN A 13 0.803 -5.820 -6.493 1.00 0.00 O ATOM 169 CB GLN A 13 1.648 -3.231 -8.363 1.00 0.00 C ATOM 170 CG GLN A 13 2.966 -3.541 -9.031 1.00 0.00 C ATOM 171 CD GLN A 13 2.993 -3.243 -10.519 1.00 0.00 C ATOM 172 OE1 GLN A 13 4.031 -2.860 -11.074 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.893 -3.460 -11.189 1.00 0.00 N ATOM 0 H GLN A 13 3.111 -2.245 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 13 0.564 -3.358 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.854 -3.746 -8.903 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.454 -2.162 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.753 -2.966 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.199 -4.595 -8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.054 -3.775 -10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.873 -3.314 -12.198 1.00 0.00 H new ATOM 182 N THR A 14 3.003 -5.561 -6.646 1.00 0.00 N ATOM 183 CA THR A 14 3.347 -6.971 -6.535 1.00 0.00 C ATOM 184 C THR A 14 2.717 -7.629 -5.289 1.00 0.00 C ATOM 185 O THR A 14 2.288 -8.780 -5.337 1.00 0.00 O ATOM 186 CB THR A 14 4.883 -7.128 -6.531 1.00 0.00 C ATOM 187 OG1 THR A 14 5.398 -6.509 -7.712 1.00 0.00 O ATOM 188 CG2 THR A 14 5.297 -8.578 -6.543 1.00 0.00 C ATOM 0 H THR A 14 3.814 -4.944 -6.690 1.00 0.00 H new ATOM 0 HA THR A 14 2.934 -7.490 -7.400 1.00 0.00 H new ATOM 0 HB THR A 14 5.273 -6.666 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.583 -5.564 -7.532 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.385 -8.646 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.900 -9.077 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.906 -9.061 -7.439 1.00 0.00 H new ATOM 196 N LEU A 15 2.621 -6.879 -4.210 1.00 0.00 N ATOM 197 CA LEU A 15 2.029 -7.377 -2.979 1.00 0.00 C ATOM 198 C LEU A 15 0.514 -7.371 -3.106 1.00 0.00 C ATOM 199 O LEU A 15 -0.172 -8.344 -2.782 1.00 0.00 O ATOM 200 CB LEU A 15 2.430 -6.465 -1.832 1.00 0.00 C ATOM 201 CG LEU A 15 3.927 -6.271 -1.636 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.193 -5.133 -0.685 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.563 -7.540 -1.113 1.00 0.00 C ATOM 0 H LEU A 15 2.948 -5.914 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 15 2.378 -8.392 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.973 -5.488 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.010 -6.866 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 15 4.368 -6.030 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.268 -5.009 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.768 -4.214 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.736 -5.351 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.633 -7.382 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.113 -7.805 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.402 -8.348 -1.826 1.00 0.00 H new ATOM 215 N LEU A 16 0.007 -6.286 -3.625 1.00 0.00 N ATOM 216 CA LEU A 16 -1.420 -6.073 -3.760 1.00 0.00 C ATOM 217 C LEU A 16 -2.042 -6.928 -4.878 1.00 0.00 C ATOM 218 O LEU A 16 -3.242 -7.104 -4.938 1.00 0.00 O ATOM 219 CB LEU A 16 -1.732 -4.576 -3.927 1.00 0.00 C ATOM 220 CG LEU A 16 -1.772 -3.707 -2.638 1.00 0.00 C ATOM 221 CD1 LEU A 16 -0.504 -3.797 -1.818 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.041 -2.273 -2.990 1.00 0.00 C ATOM 0 H LEU A 16 0.574 -5.512 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.890 -6.410 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.987 -4.149 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.698 -4.486 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.579 -4.105 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.598 -3.168 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.341 -4.831 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.341 -3.458 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.067 -1.674 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.251 -1.905 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.001 -2.198 -3.501 1.00 0.00 H new ATOM 234 N GLU A 17 -1.222 -7.447 -5.765 1.00 0.00 N ATOM 235 CA GLU A 17 -1.694 -8.379 -6.784 1.00 0.00 C ATOM 236 C GLU A 17 -1.899 -9.756 -6.159 1.00 0.00 C ATOM 237 O GLU A 17 -2.575 -10.624 -6.715 1.00 0.00 O ATOM 238 CB GLU A 17 -0.710 -8.472 -7.950 1.00 0.00 C ATOM 239 CG GLU A 17 -0.562 -7.191 -8.757 1.00 0.00 C ATOM 240 CD GLU A 17 0.502 -7.323 -9.808 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.679 -7.443 -9.453 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.188 -7.321 -11.009 1.00 0.00 O ATOM 0 H GLU A 17 -0.223 -7.244 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.641 -8.010 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.268 -8.756 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.032 -9.271 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.513 -6.945 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.315 -6.366 -8.089 1.00 0.00 H new ATOM 249 N GLN A 18 -1.315 -9.939 -4.999 1.00 0.00 N ATOM 250 CA GLN A 18 -1.432 -11.170 -4.257 1.00 0.00 C ATOM 251 C GLN A 18 -2.581 -11.044 -3.262 1.00 0.00 C ATOM 252 O GLN A 18 -3.470 -11.894 -3.200 1.00 0.00 O ATOM 253 CB GLN A 18 -0.121 -11.466 -3.530 1.00 0.00 C ATOM 254 CG GLN A 18 1.076 -11.568 -4.460 1.00 0.00 C ATOM 255 CD GLN A 18 2.377 -11.834 -3.732 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.409 -12.486 -2.699 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.455 -11.310 -4.257 1.00 0.00 N ATOM 0 H GLN A 18 -0.741 -9.232 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.638 -11.995 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.064 -10.681 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.223 -12.400 -2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.901 -12.367 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.167 -10.641 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.392 -10.771 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.359 -11.440 -3.802 1.00 0.00 H new ATOM 266 N LEU A 19 -2.582 -9.957 -2.519 1.00 0.00 N ATOM 267 CA LEU A 19 -3.617 -9.711 -1.543 1.00 0.00 C ATOM 268 C LEU A 19 -4.657 -8.777 -2.177 1.00 0.00 C ATOM 269 O LEU A 19 -4.334 -7.670 -2.549 1.00 0.00 O ATOM 270 CB LEU A 19 -2.997 -9.071 -0.260 1.00 0.00 C ATOM 271 CG LEU A 19 -2.709 -7.556 -0.307 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.809 -6.750 0.360 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.345 -7.187 0.198 1.00 0.00 C ATOM 0 H LEU A 19 -1.872 -9.227 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.097 -10.644 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.671 -9.263 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.063 -9.588 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.706 -7.287 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.567 -5.689 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.755 -6.933 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.896 -7.048 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.214 -6.107 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.243 -7.505 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.586 -7.681 -0.409 1.00 0.00 H new ATOM 285 N ASN A 20 -5.869 -9.237 -2.369 1.00 0.00 N ATOM 286 CA ASN A 20 -6.901 -8.372 -2.949 1.00 0.00 C ATOM 287 C ASN A 20 -8.310 -8.904 -2.812 1.00 0.00 C ATOM 288 O ASN A 20 -9.128 -8.250 -2.177 1.00 0.00 O ATOM 289 CB ASN A 20 -6.585 -7.937 -4.404 1.00 0.00 C ATOM 290 CG ASN A 20 -6.274 -9.090 -5.319 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.136 -9.622 -5.998 1.00 0.00 O ATOM 292 ND2 ASN A 20 -5.047 -9.515 -5.280 1.00 0.00 N ATOM 0 H ASN A 20 -6.174 -10.183 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.868 -7.472 -2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.436 -7.386 -4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.737 -7.252 -4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.771 -10.326 -5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.360 -9.037 -4.697 1.00 0.00 H new ATOM 299 N GLU A 21 -8.553 -10.115 -3.301 1.00 0.00 N ATOM 300 CA GLU A 21 -9.909 -10.704 -3.405 1.00 0.00 C ATOM 301 C GLU A 21 -10.765 -10.498 -2.130 1.00 0.00 C ATOM 302 O GLU A 21 -11.811 -9.846 -2.170 1.00 0.00 O ATOM 303 CB GLU A 21 -9.803 -12.177 -3.776 1.00 0.00 C ATOM 304 CG GLU A 21 -11.113 -12.813 -4.194 1.00 0.00 C ATOM 305 CD GLU A 21 -10.925 -14.231 -4.640 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.435 -14.450 -5.768 1.00 0.00 O ATOM 307 OE2 GLU A 21 -11.252 -15.159 -3.867 1.00 0.00 O ATOM 0 H GLU A 21 -7.816 -10.732 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.436 -10.171 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.086 -12.283 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.402 -12.726 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.814 -12.784 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.557 -12.233 -5.003 1.00 0.00 H new ATOM 314 N ASP A 22 -10.323 -11.029 -1.016 1.00 0.00 N ATOM 315 CA ASP A 22 -11.012 -10.775 0.261 1.00 0.00 C ATOM 316 C ASP A 22 -10.024 -10.089 1.188 1.00 0.00 C ATOM 317 O ASP A 22 -10.319 -9.708 2.308 1.00 0.00 O ATOM 318 CB ASP A 22 -11.512 -12.094 0.880 1.00 0.00 C ATOM 319 CG ASP A 22 -12.427 -11.914 2.094 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.617 -11.607 1.914 1.00 0.00 O ATOM 321 OD2 ASP A 22 -11.994 -12.136 3.240 1.00 0.00 O ATOM 0 H ASP A 22 -9.504 -11.633 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.884 -10.141 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.047 -12.660 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.650 -12.693 1.175 1.00 0.00 H new ATOM 326 N GLU A 23 -8.872 -9.851 0.639 1.00 0.00 N ATOM 327 CA GLU A 23 -7.725 -9.381 1.387 1.00 0.00 C ATOM 328 C GLU A 23 -7.668 -7.868 1.379 1.00 0.00 C ATOM 329 O GLU A 23 -7.226 -7.245 2.329 1.00 0.00 O ATOM 330 CB GLU A 23 -6.480 -9.902 0.710 1.00 0.00 C ATOM 331 CG GLU A 23 -6.602 -11.330 0.210 1.00 0.00 C ATOM 332 CD GLU A 23 -6.720 -12.348 1.310 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.694 -12.770 1.851 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.846 -12.753 1.650 1.00 0.00 O ATOM 0 H GLU A 23 -8.690 -9.977 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.799 -9.731 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.237 -9.253 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.646 -9.843 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.475 -11.405 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.731 -11.567 -0.401 1.00 0.00 H new ATOM 341 N LEU A 24 -8.128 -7.274 0.296 1.00 0.00 N ATOM 342 CA LEU A 24 -8.063 -5.836 0.144 1.00 0.00 C ATOM 343 C LEU A 24 -9.059 -5.186 1.064 1.00 0.00 C ATOM 344 O LEU A 24 -8.879 -4.061 1.476 1.00 0.00 O ATOM 345 CB LEU A 24 -8.345 -5.440 -1.290 1.00 0.00 C ATOM 346 CG LEU A 24 -7.459 -4.352 -1.867 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.997 -4.789 -1.863 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.891 -4.033 -3.270 1.00 0.00 C ATOM 0 H LEU A 24 -8.551 -7.766 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.059 -5.499 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.251 -6.327 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.382 -5.110 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.556 -3.461 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.379 -3.995 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.681 -4.995 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.885 -5.691 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.251 -3.251 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.811 -4.928 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.925 -3.689 -3.263 1.00 0.00 H new ATOM 360 N LYS A 25 -10.089 -5.935 1.394 1.00 0.00 N ATOM 361 CA LYS A 25 -11.136 -5.510 2.308 1.00 0.00 C ATOM 362 C LYS A 25 -10.516 -5.158 3.651 1.00 0.00 C ATOM 363 O LYS A 25 -10.862 -4.152 4.269 1.00 0.00 O ATOM 364 CB LYS A 25 -12.116 -6.653 2.475 1.00 0.00 C ATOM 365 CG LYS A 25 -12.753 -7.090 1.174 1.00 0.00 C ATOM 366 CD LYS A 25 -13.510 -8.372 1.357 1.00 0.00 C ATOM 367 CE LYS A 25 -14.218 -8.792 0.086 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.993 -10.019 0.295 1.00 0.00 N ATOM 0 H LYS A 25 -10.228 -6.877 1.028 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.653 -4.634 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.600 -7.503 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.899 -6.353 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.427 -6.312 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.984 -7.222 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.823 -9.159 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.240 -8.252 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.880 -7.992 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.486 -8.951 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.858 -10.657 -0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.670 -10.490 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.002 -9.782 0.384 1.00 0.00 H new ATOM 382 N SER A 26 -9.573 -5.986 4.062 1.00 0.00 N ATOM 383 CA SER A 26 -8.828 -5.801 5.236 1.00 0.00 C ATOM 384 C SER A 26 -8.008 -4.518 5.126 1.00 0.00 C ATOM 385 O SER A 26 -8.187 -3.587 5.900 1.00 0.00 O ATOM 386 CB SER A 26 -7.897 -6.977 5.328 1.00 0.00 C ATOM 387 OG SER A 26 -8.596 -8.212 5.226 1.00 0.00 O ATOM 0 H SER A 26 -9.316 -6.829 3.549 1.00 0.00 H new ATOM 0 HA SER A 26 -9.474 -5.725 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.152 -6.914 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.358 -6.941 6.275 1.00 0.00 H new ATOM 0 HG SER A 26 -7.959 -8.954 5.288 1.00 0.00 H new ATOM 393 N PHE A 27 -7.157 -4.481 4.112 1.00 0.00 N ATOM 394 CA PHE A 27 -6.226 -3.388 3.852 1.00 0.00 C ATOM 395 C PHE A 27 -6.943 -2.017 3.822 1.00 0.00 C ATOM 396 O PHE A 27 -6.524 -1.086 4.513 1.00 0.00 O ATOM 397 CB PHE A 27 -5.510 -3.678 2.518 1.00 0.00 C ATOM 398 CG PHE A 27 -4.432 -2.688 2.096 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.756 -1.456 1.551 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.090 -3.008 2.245 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.770 -0.566 1.168 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.099 -2.122 1.862 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.440 -0.900 1.323 1.00 0.00 C ATOM 0 H PHE A 27 -7.091 -5.232 3.425 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.497 -3.329 4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.058 -4.668 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.262 -3.721 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.794 -1.187 1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.815 -3.964 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.041 0.391 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.059 -2.387 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.669 -0.206 1.023 1.00 0.00 H new ATOM 413 N LYS A 28 -8.034 -1.928 3.047 1.00 0.00 N ATOM 414 CA LYS A 28 -8.829 -0.683 2.890 1.00 0.00 C ATOM 415 C LYS A 28 -9.337 -0.169 4.231 1.00 0.00 C ATOM 416 O LYS A 28 -9.402 1.025 4.474 1.00 0.00 O ATOM 417 CB LYS A 28 -10.034 -0.932 1.981 1.00 0.00 C ATOM 418 CG LYS A 28 -9.695 -1.277 0.547 1.00 0.00 C ATOM 419 CD LYS A 28 -10.928 -1.769 -0.197 1.00 0.00 C ATOM 420 CE LYS A 28 -10.583 -2.154 -1.617 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.727 -2.726 -2.340 1.00 0.00 N ATOM 0 H LYS A 28 -8.397 -2.714 2.507 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.169 0.064 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.627 -1.743 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.663 -0.042 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.287 -0.400 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.922 -2.045 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.353 -2.627 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.690 -0.989 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.223 -1.275 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.767 -2.876 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.566 -3.741 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.593 -2.595 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.833 -2.247 -3.257 1.00 0.00 H new ATOM 435 N SER A 29 -9.677 -1.070 5.072 1.00 0.00 N ATOM 436 CA SER A 29 -10.194 -0.778 6.341 1.00 0.00 C ATOM 437 C SER A 29 -9.085 -0.439 7.345 1.00 0.00 C ATOM 438 O SER A 29 -9.162 0.534 8.085 1.00 0.00 O ATOM 439 CB SER A 29 -10.909 -1.999 6.750 1.00 0.00 C ATOM 440 OG SER A 29 -12.055 -2.214 5.954 1.00 0.00 O ATOM 0 H SER A 29 -9.597 -2.069 4.882 1.00 0.00 H new ATOM 0 HA SER A 29 -10.844 0.097 6.313 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.242 -2.857 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.201 -1.918 7.797 1.00 0.00 H new ATOM 0 HG SER A 29 -11.855 -2.884 5.267 1.00 0.00 H new ATOM 446 N LEU A 30 -8.082 -1.255 7.361 1.00 0.00 N ATOM 447 CA LEU A 30 -6.933 -1.096 8.243 1.00 0.00 C ATOM 448 C LEU A 30 -6.168 0.201 7.997 1.00 0.00 C ATOM 449 O LEU A 30 -5.716 0.838 8.943 1.00 0.00 O ATOM 450 CB LEU A 30 -6.013 -2.283 8.113 1.00 0.00 C ATOM 451 CG LEU A 30 -6.616 -3.618 8.513 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.696 -4.725 8.086 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.847 -3.678 10.019 1.00 0.00 C ATOM 0 H LEU A 30 -8.021 -2.073 6.755 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.319 -1.041 9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.677 -2.350 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.128 -2.105 8.724 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.581 -3.733 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.125 -5.685 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.566 -4.693 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.728 -4.602 8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.279 -4.643 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.897 -3.552 10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.530 -2.882 10.314 1.00 0.00 H new ATOM 465 N LEU A 31 -6.045 0.629 6.747 1.00 0.00 N ATOM 466 CA LEU A 31 -5.333 1.878 6.496 1.00 0.00 C ATOM 467 C LEU A 31 -6.248 3.069 6.787 1.00 0.00 C ATOM 468 O LEU A 31 -5.839 4.218 6.762 1.00 0.00 O ATOM 469 CB LEU A 31 -4.686 1.948 5.075 1.00 0.00 C ATOM 470 CG LEU A 31 -5.418 2.712 3.951 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.479 2.928 2.781 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.623 1.963 3.469 1.00 0.00 C ATOM 0 H LEU A 31 -6.411 0.155 5.922 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.488 1.919 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.698 2.395 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.536 0.924 4.732 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.743 3.668 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.001 3.468 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.617 3.509 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.143 1.963 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.112 2.531 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.316 0.992 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.318 1.820 4.297 1.00 0.00 H new ATOM 484 N TRP A 32 -7.482 2.767 7.111 1.00 0.00 N ATOM 485 CA TRP A 32 -8.434 3.769 7.462 1.00 0.00 C ATOM 486 C TRP A 32 -8.473 3.895 8.984 1.00 0.00 C ATOM 487 O TRP A 32 -9.244 4.671 9.544 1.00 0.00 O ATOM 488 CB TRP A 32 -9.805 3.370 6.947 1.00 0.00 C ATOM 489 CG TRP A 32 -10.520 4.484 6.297 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.618 5.145 6.743 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.160 5.076 5.060 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.972 6.108 5.836 1.00 0.00 N ATOM 493 CE2 TRP A 32 -11.089 6.082 4.790 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.135 4.833 4.153 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -11.026 6.857 3.637 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -9.066 5.597 3.006 1.00 0.00 C ATOM 497 CH2 TRP A 32 -10.010 6.598 2.755 1.00 0.00 C ATOM 0 H TRP A 32 -7.846 1.815 7.136 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.152 4.724 7.018 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.696 2.551 6.236 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.404 2.995 7.777 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.133 4.943 7.670 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.766 6.742 5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.405 4.060 4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.751 7.634 3.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.274 5.420 2.294 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.937 7.179 1.847 1.00 0.00 H new ATOM 508 N ALA A 33 -7.654 3.095 9.652 1.00 0.00 N ATOM 509 CA ALA A 33 -7.592 3.094 11.102 1.00 0.00 C ATOM 510 C ALA A 33 -6.538 4.062 11.602 1.00 0.00 C ATOM 511 O ALA A 33 -6.640 4.585 12.710 1.00 0.00 O ATOM 512 CB ALA A 33 -7.316 1.693 11.629 1.00 0.00 C ATOM 0 H ALA A 33 -7.019 2.434 9.205 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.562 3.421 11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.274 1.716 12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.113 1.021 11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.363 1.338 11.236 1.00 0.00 H new ATOM 518 N PHE A 34 -5.533 4.317 10.788 1.00 0.00 N ATOM 519 CA PHE A 34 -4.482 5.206 11.188 1.00 0.00 C ATOM 520 C PHE A 34 -4.921 6.656 10.960 1.00 0.00 C ATOM 521 O PHE A 34 -5.879 6.907 10.209 1.00 0.00 O ATOM 522 CB PHE A 34 -3.133 4.877 10.451 1.00 0.00 C ATOM 523 CG PHE A 34 -3.070 5.122 8.951 1.00 0.00 C ATOM 524 CD1 PHE A 34 -3.253 6.393 8.417 1.00 0.00 C ATOM 525 CD2 PHE A 34 -2.789 4.085 8.088 1.00 0.00 C ATOM 526 CE1 PHE A 34 -3.179 6.613 7.067 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.707 4.304 6.730 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.907 5.569 6.220 1.00 0.00 C ATOM 0 H PHE A 34 -5.430 3.920 9.854 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.290 5.067 12.252 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.343 5.463 10.920 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.900 3.827 10.630 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.457 7.222 9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.632 3.091 8.480 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.334 7.606 6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.486 3.483 6.064 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.850 5.738 5.155 1.00 0.00 H new ATOM 672 N THR A 43 -8.839 11.014 1.264 1.00 0.00 N ATOM 673 CA THR A 43 -8.411 9.982 0.322 1.00 0.00 C ATOM 674 C THR A 43 -9.629 9.463 -0.498 1.00 0.00 C ATOM 675 O THR A 43 -10.666 9.125 0.067 1.00 0.00 O ATOM 676 CB THR A 43 -7.678 8.829 1.060 1.00 0.00 C ATOM 677 OG1 THR A 43 -6.595 9.381 1.833 1.00 0.00 O ATOM 678 CG2 THR A 43 -7.118 7.800 0.082 1.00 0.00 C ATOM 0 HA THR A 43 -7.699 10.418 -0.379 1.00 0.00 H new ATOM 0 HB THR A 43 -8.398 8.326 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.848 10.269 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.612 7.009 0.636 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.933 7.371 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.408 8.284 -0.589 1.00 0.00 H new ATOM 686 N PRO A 44 -9.559 9.454 -1.846 1.00 0.00 N ATOM 687 CA PRO A 44 -10.682 8.998 -2.669 1.00 0.00 C ATOM 688 C PRO A 44 -11.039 7.511 -2.426 1.00 0.00 C ATOM 689 O PRO A 44 -10.452 6.616 -3.030 1.00 0.00 O ATOM 690 CB PRO A 44 -10.196 9.228 -4.113 1.00 0.00 C ATOM 691 CG PRO A 44 -8.704 9.265 -4.005 1.00 0.00 C ATOM 692 CD PRO A 44 -8.415 9.906 -2.682 1.00 0.00 C ATOM 0 HA PRO A 44 -11.600 9.537 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.526 8.428 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.588 10.160 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.282 8.261 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.265 9.837 -4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.459 9.578 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.373 10.993 -2.758 1.00 0.00 H new ATOM 700 N TRP A 45 -11.974 7.263 -1.507 1.00 0.00 N ATOM 701 CA TRP A 45 -12.392 5.904 -1.161 1.00 0.00 C ATOM 702 C TRP A 45 -13.102 5.245 -2.342 1.00 0.00 C ATOM 703 O TRP A 45 -13.037 4.046 -2.506 1.00 0.00 O ATOM 704 CB TRP A 45 -13.278 5.886 0.122 1.00 0.00 C ATOM 705 CG TRP A 45 -13.795 4.506 0.532 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.878 3.863 0.018 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.264 3.620 1.541 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.049 2.646 0.619 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.079 2.470 1.560 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.188 3.679 2.418 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.850 1.396 2.423 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.960 2.615 3.274 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.783 1.487 3.272 1.00 0.00 C ATOM 0 H TRP A 45 -12.459 7.993 -0.985 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.497 5.323 -0.937 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.702 6.302 0.949 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -14.132 6.545 -0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.516 4.259 -0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.786 1.976 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.539 4.542 2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.491 0.527 2.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.126 2.658 3.959 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.573 0.674 3.952 1.00 0.00 H new ATOM 724 N SER A 46 -13.743 6.042 -3.180 1.00 0.00 N ATOM 725 CA SER A 46 -14.409 5.515 -4.363 1.00 0.00 C ATOM 726 C SER A 46 -13.352 4.865 -5.271 1.00 0.00 C ATOM 727 O SER A 46 -13.578 3.796 -5.844 1.00 0.00 O ATOM 728 CB SER A 46 -15.170 6.645 -5.075 1.00 0.00 C ATOM 729 OG SER A 46 -15.958 6.184 -6.159 1.00 0.00 O ATOM 0 H SER A 46 -13.817 7.053 -3.066 1.00 0.00 H new ATOM 0 HA SER A 46 -15.141 4.755 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.813 7.152 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.456 7.383 -5.440 1.00 0.00 H new ATOM 0 HG SER A 46 -16.420 6.942 -6.573 1.00 0.00 H new ATOM 735 N GLU A 47 -12.179 5.497 -5.331 1.00 0.00 N ATOM 736 CA GLU A 47 -11.044 4.936 -6.014 1.00 0.00 C ATOM 737 C GLU A 47 -10.614 3.675 -5.308 1.00 0.00 C ATOM 738 O GLU A 47 -10.608 2.621 -5.901 1.00 0.00 O ATOM 739 CB GLU A 47 -9.870 5.921 -6.040 1.00 0.00 C ATOM 740 CG GLU A 47 -9.938 6.986 -7.105 1.00 0.00 C ATOM 741 CD GLU A 47 -9.692 6.416 -8.479 1.00 0.00 C ATOM 742 OE1 GLU A 47 -8.509 6.236 -8.864 1.00 0.00 O ATOM 743 OE2 GLU A 47 -10.655 6.153 -9.208 1.00 0.00 O ATOM 0 H GLU A 47 -12.003 6.407 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.335 4.718 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.806 6.409 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.948 5.356 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.917 7.465 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.199 7.759 -6.894 1.00 0.00 H new ATOM 750 N VAL A 48 -10.324 3.795 -4.001 1.00 0.00 N ATOM 751 CA VAL A 48 -9.768 2.679 -3.214 1.00 0.00 C ATOM 752 C VAL A 48 -10.680 1.449 -3.240 1.00 0.00 C ATOM 753 O VAL A 48 -10.200 0.329 -3.228 1.00 0.00 O ATOM 754 CB VAL A 48 -9.440 3.057 -1.710 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.818 4.418 -1.567 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.607 2.860 -0.747 1.00 0.00 C ATOM 0 H VAL A 48 -10.465 4.653 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.824 2.442 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.686 2.330 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.617 4.618 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.884 4.452 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.501 5.173 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.299 3.141 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.445 3.484 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.912 1.814 -0.754 1.00 0.00 H new ATOM 766 N GLU A 49 -11.988 1.676 -3.293 1.00 0.00 N ATOM 767 CA GLU A 49 -12.936 0.617 -3.255 1.00 0.00 C ATOM 768 C GLU A 49 -12.916 -0.180 -4.511 1.00 0.00 C ATOM 769 O GLU A 49 -12.720 -1.396 -4.488 1.00 0.00 O ATOM 770 CB GLU A 49 -14.328 1.127 -3.051 1.00 0.00 C ATOM 771 CG GLU A 49 -15.065 0.281 -2.047 1.00 0.00 C ATOM 772 CD GLU A 49 -15.060 -1.203 -2.347 1.00 0.00 C ATOM 773 OE1 GLU A 49 -15.890 -1.675 -3.144 1.00 0.00 O ATOM 774 OE2 GLU A 49 -14.203 -1.925 -1.783 1.00 0.00 O ATOM 0 H GLU A 49 -12.400 2.606 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.649 -0.013 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.295 2.161 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.864 1.123 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.623 0.441 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.098 0.624 -1.992 1.00 0.00 H new ATOM 781 N GLU A 50 -13.078 0.487 -5.611 1.00 0.00 N ATOM 782 CA GLU A 50 -13.209 -0.213 -6.842 1.00 0.00 C ATOM 783 C GLU A 50 -11.850 -0.575 -7.427 1.00 0.00 C ATOM 784 O GLU A 50 -11.753 -1.212 -8.483 1.00 0.00 O ATOM 785 CB GLU A 50 -14.062 0.557 -7.821 1.00 0.00 C ATOM 786 CG GLU A 50 -15.461 0.818 -7.305 1.00 0.00 C ATOM 787 CD GLU A 50 -16.291 1.578 -8.282 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.260 2.812 -8.260 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.999 0.948 -9.092 1.00 0.00 O ATOM 0 H GLU A 50 -13.122 1.504 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.724 -1.152 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.580 1.508 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.123 0.002 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.946 -0.132 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.403 1.375 -6.370 1.00 0.00 H new ATOM 796 N ALA A 51 -10.821 -0.158 -6.748 1.00 0.00 N ATOM 797 CA ALA A 51 -9.484 -0.479 -7.106 1.00 0.00 C ATOM 798 C ALA A 51 -9.091 -1.750 -6.451 1.00 0.00 C ATOM 799 O ALA A 51 -9.499 -2.045 -5.318 1.00 0.00 O ATOM 800 CB ALA A 51 -8.539 0.601 -6.670 1.00 0.00 C ATOM 0 H ALA A 51 -10.897 0.426 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.433 -0.577 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.522 0.332 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.814 1.540 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.593 0.717 -5.588 1.00 0.00 H new ATOM 806 N ASP A 52 -8.331 -2.500 -7.154 1.00 0.00 N ATOM 807 CA ASP A 52 -7.803 -3.716 -6.663 1.00 0.00 C ATOM 808 C ASP A 52 -6.392 -3.834 -7.121 1.00 0.00 C ATOM 809 O ASP A 52 -6.033 -3.264 -8.157 1.00 0.00 O ATOM 810 CB ASP A 52 -8.629 -4.935 -7.106 1.00 0.00 C ATOM 811 CG ASP A 52 -8.705 -5.118 -8.607 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.803 -5.757 -9.197 1.00 0.00 O ATOM 813 OD2 ASP A 52 -9.681 -4.619 -9.228 1.00 0.00 O ATOM 0 H ASP A 52 -8.051 -2.281 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.846 -3.702 -5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.198 -5.833 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.640 -4.838 -6.711 1.00 0.00 H new ATOM 818 N GLY A 53 -5.584 -4.480 -6.303 1.00 0.00 N ATOM 819 CA GLY A 53 -4.206 -4.760 -6.615 1.00 0.00 C ATOM 820 C GLY A 53 -3.405 -3.555 -7.068 1.00 0.00 C ATOM 821 O GLY A 53 -3.095 -2.658 -6.270 1.00 0.00 O ATOM 0 H GLY A 53 -5.876 -4.828 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.727 -5.188 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.171 -5.518 -7.397 1.00 0.00 H new ATOM 825 N LYS A 54 -3.129 -3.501 -8.371 1.00 0.00 N ATOM 826 CA LYS A 54 -2.306 -2.453 -8.950 1.00 0.00 C ATOM 827 C LYS A 54 -2.960 -1.116 -8.775 1.00 0.00 C ATOM 828 O LYS A 54 -2.303 -0.145 -8.410 1.00 0.00 O ATOM 829 CB LYS A 54 -2.067 -2.674 -10.444 1.00 0.00 C ATOM 830 CG LYS A 54 -0.919 -1.821 -11.005 1.00 0.00 C ATOM 831 CD LYS A 54 -1.309 -0.823 -12.113 1.00 0.00 C ATOM 832 CE LYS A 54 -2.036 0.394 -11.572 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.220 1.444 -12.593 1.00 0.00 N ATOM 0 H LYS A 54 -3.471 -4.183 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.349 -2.483 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.847 -3.727 -10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.982 -2.444 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.468 -1.265 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.152 -2.489 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.411 -0.501 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.943 -1.326 -12.843 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.010 0.090 -11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.476 0.804 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.400 2.355 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.361 1.517 -13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.029 1.201 -13.199 1.00 0.00 H new ATOM 847 N LYS A 55 -4.257 -1.057 -9.034 1.00 0.00 N ATOM 848 CA LYS A 55 -4.974 0.199 -8.959 1.00 0.00 C ATOM 849 C LYS A 55 -4.924 0.784 -7.570 1.00 0.00 C ATOM 850 O LYS A 55 -4.874 1.986 -7.415 1.00 0.00 O ATOM 851 CB LYS A 55 -6.424 0.073 -9.391 1.00 0.00 C ATOM 852 CG LYS A 55 -6.736 0.486 -10.817 1.00 0.00 C ATOM 853 CD LYS A 55 -6.609 2.007 -11.044 1.00 0.00 C ATOM 854 CE LYS A 55 -7.544 2.836 -10.144 1.00 0.00 C ATOM 855 NZ LYS A 55 -7.459 4.288 -10.459 1.00 0.00 N ATOM 0 H LYS A 55 -4.828 -1.860 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.467 0.868 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.732 -0.964 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.035 0.675 -8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.062 -0.035 -11.496 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.748 0.170 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.578 2.310 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.828 2.231 -12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.571 2.494 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.282 2.674 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.075 4.820 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.477 4.611 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.765 4.449 -11.440 1.00 0.00 H new ATOM 869 N LEU A 56 -4.919 -0.069 -6.569 1.00 0.00 N ATOM 870 CA LEU A 56 -4.876 0.407 -5.222 1.00 0.00 C ATOM 871 C LEU A 56 -3.500 0.974 -4.908 1.00 0.00 C ATOM 872 O LEU A 56 -3.386 2.038 -4.308 1.00 0.00 O ATOM 873 CB LEU A 56 -5.269 -0.670 -4.230 1.00 0.00 C ATOM 874 CG LEU A 56 -5.385 -0.185 -2.776 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.457 0.883 -2.632 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.664 -1.325 -1.855 1.00 0.00 C ATOM 0 H LEU A 56 -4.944 -1.084 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.610 1.207 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.225 -1.096 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.533 -1.473 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.427 0.257 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.513 1.204 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.207 1.736 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.420 0.475 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.742 -0.956 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.601 -1.802 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.853 -2.051 -1.918 1.00 0.00 H new ATOM 888 N ALA A 57 -2.461 0.287 -5.379 1.00 0.00 N ATOM 889 CA ALA A 57 -1.071 0.733 -5.202 1.00 0.00 C ATOM 890 C ALA A 57 -0.873 2.112 -5.842 1.00 0.00 C ATOM 891 O ALA A 57 -0.113 2.956 -5.348 1.00 0.00 O ATOM 892 CB ALA A 57 -0.125 -0.272 -5.841 1.00 0.00 C ATOM 0 H ALA A 57 -2.553 -0.590 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.855 0.805 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.904 0.062 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.255 -1.246 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.345 -0.353 -6.905 1.00 0.00 H new ATOM 898 N GLU A 58 -1.609 2.328 -6.917 1.00 0.00 N ATOM 899 CA GLU A 58 -1.608 3.568 -7.672 1.00 0.00 C ATOM 900 C GLU A 58 -2.126 4.707 -6.791 1.00 0.00 C ATOM 901 O GLU A 58 -1.580 5.800 -6.782 1.00 0.00 O ATOM 902 CB GLU A 58 -2.524 3.384 -8.874 1.00 0.00 C ATOM 903 CG GLU A 58 -2.683 4.578 -9.781 1.00 0.00 C ATOM 904 CD GLU A 58 -3.782 4.346 -10.778 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.604 3.528 -11.692 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.874 4.940 -10.633 1.00 0.00 O ATOM 0 H GLU A 58 -2.242 1.626 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.599 3.815 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.147 2.551 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.511 3.096 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.905 5.465 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.746 4.771 -10.304 1.00 0.00 H new ATOM 913 N ILE A 59 -3.150 4.415 -6.025 1.00 0.00 N ATOM 914 CA ILE A 59 -3.780 5.386 -5.158 1.00 0.00 C ATOM 915 C ILE A 59 -2.847 5.737 -3.991 1.00 0.00 C ATOM 916 O ILE A 59 -2.814 6.894 -3.520 1.00 0.00 O ATOM 917 CB ILE A 59 -5.142 4.842 -4.675 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.988 4.545 -5.912 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.851 5.864 -3.781 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.135 3.616 -5.681 1.00 0.00 C ATOM 0 H ILE A 59 -3.574 3.488 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.967 6.308 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.995 3.938 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.374 5.486 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.344 4.119 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.808 5.458 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.231 6.079 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.020 6.783 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.676 3.466 -6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.760 2.658 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.807 4.045 -4.938 1.00 0.00 H new ATOM 932 N LEU A 60 -2.050 4.756 -3.567 1.00 0.00 N ATOM 933 CA LEU A 60 -1.029 4.984 -2.549 1.00 0.00 C ATOM 934 C LEU A 60 -0.001 5.988 -3.043 1.00 0.00 C ATOM 935 O LEU A 60 0.250 6.984 -2.384 1.00 0.00 O ATOM 936 CB LEU A 60 -0.312 3.683 -2.095 1.00 0.00 C ATOM 937 CG LEU A 60 -0.964 2.836 -0.975 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.114 3.639 0.308 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.293 2.248 -1.400 1.00 0.00 C ATOM 0 H LEU A 60 -2.093 3.798 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.552 5.381 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.198 3.044 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.691 3.954 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.290 2.002 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.575 3.017 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.132 3.967 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.743 4.509 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.711 1.663 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.981 3.053 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.145 1.604 -2.267 1.00 0.00 H new ATOM 951 N VAL A 61 0.543 5.763 -4.247 1.00 0.00 N ATOM 952 CA VAL A 61 1.580 6.655 -4.793 1.00 0.00 C ATOM 953 C VAL A 61 0.982 7.960 -5.319 1.00 0.00 C ATOM 954 O VAL A 61 1.701 8.887 -5.690 1.00 0.00 O ATOM 955 CB VAL A 61 2.437 5.992 -5.914 1.00 0.00 C ATOM 956 CG1 VAL A 61 3.149 4.755 -5.398 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.600 5.663 -7.142 1.00 0.00 C ATOM 0 H VAL A 61 0.289 4.984 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 61 2.241 6.870 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 61 3.192 6.718 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.739 4.313 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.807 5.031 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.413 4.031 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.233 5.202 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.804 4.972 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.163 6.579 -7.541 1.00 0.00 H new ATOM 967 N ASN A 62 -0.329 8.006 -5.392 1.00 0.00 N ATOM 968 CA ASN A 62 -1.033 9.203 -5.808 1.00 0.00 C ATOM 969 C ASN A 62 -1.061 10.207 -4.658 1.00 0.00 C ATOM 970 O ASN A 62 -0.905 11.419 -4.859 1.00 0.00 O ATOM 971 CB ASN A 62 -2.474 8.862 -6.260 1.00 0.00 C ATOM 972 CG ASN A 62 -3.323 10.082 -6.608 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.823 11.112 -7.050 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.620 9.949 -6.429 1.00 0.00 N ATOM 0 H ASN A 62 -0.938 7.219 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.508 9.643 -6.656 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.425 8.207 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.969 8.302 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.248 10.719 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.997 9.076 -6.059 1.00 0.00 H new ATOM 981 N THR A 63 -1.210 9.702 -3.458 1.00 0.00 N ATOM 982 CA THR A 63 -1.312 10.543 -2.296 1.00 0.00 C ATOM 983 C THR A 63 -0.039 10.521 -1.446 1.00 0.00 C ATOM 984 O THR A 63 0.647 11.530 -1.314 1.00 0.00 O ATOM 985 CB THR A 63 -2.519 10.125 -1.420 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.527 8.690 -1.254 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.843 10.593 -2.017 1.00 0.00 C ATOM 0 H THR A 63 -1.263 8.702 -3.262 1.00 0.00 H new ATOM 0 HA THR A 63 -1.456 11.560 -2.662 1.00 0.00 H new ATOM 0 HB THR A 63 -2.411 10.606 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.777 8.264 -2.101 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.664 10.279 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.841 11.680 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.971 10.154 -3.007 1.00 0.00 H new ATOM 995 N SER A 64 0.295 9.365 -0.953 1.00 0.00 N ATOM 996 CA SER A 64 1.326 9.199 0.029 1.00 0.00 C ATOM 997 C SER A 64 2.742 9.285 -0.564 1.00 0.00 C ATOM 998 O SER A 64 2.995 8.867 -1.707 1.00 0.00 O ATOM 999 CB SER A 64 1.114 7.852 0.692 1.00 0.00 C ATOM 1000 OG SER A 64 -0.224 7.712 1.137 1.00 0.00 O ATOM 0 H SER A 64 -0.152 8.491 -1.229 1.00 0.00 H new ATOM 0 HA SER A 64 1.256 10.014 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.353 7.054 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.795 7.747 1.536 1.00 0.00 H new ATOM 0 HG SER A 64 -0.229 7.383 2.060 1.00 0.00 H new ATOM 1006 N SER A 65 3.641 9.847 0.209 1.00 0.00 N ATOM 1007 CA SER A 65 5.030 9.920 -0.140 1.00 0.00 C ATOM 1008 C SER A 65 5.643 8.525 0.075 1.00 0.00 C ATOM 1009 O SER A 65 5.325 7.862 1.065 1.00 0.00 O ATOM 1010 CB SER A 65 5.680 10.938 0.782 1.00 0.00 C ATOM 1011 OG SER A 65 4.891 12.121 0.826 1.00 0.00 O ATOM 0 H SER A 65 3.419 10.271 1.110 1.00 0.00 H new ATOM 0 HA SER A 65 5.179 10.221 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.783 10.521 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.684 11.173 0.429 1.00 0.00 H new ATOM 0 HG SER A 65 5.313 12.774 1.423 1.00 0.00 H new ATOM 1017 N GLU A 66 6.489 8.082 -0.839 1.00 0.00 N ATOM 1018 CA GLU A 66 7.086 6.731 -0.804 1.00 0.00 C ATOM 1019 C GLU A 66 7.777 6.410 0.528 1.00 0.00 C ATOM 1020 O GLU A 66 7.648 5.302 1.047 1.00 0.00 O ATOM 1021 CB GLU A 66 8.062 6.542 -1.962 1.00 0.00 C ATOM 1022 CG GLU A 66 9.179 7.545 -1.973 1.00 0.00 C ATOM 1023 CD GLU A 66 10.166 7.327 -3.060 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.934 7.822 -4.176 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.215 6.695 -2.815 1.00 0.00 O ATOM 0 H GLU A 66 6.791 8.642 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 66 6.258 6.029 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.485 5.539 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.515 6.609 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.757 8.545 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.695 7.511 -1.014 1.00 0.00 H new ATOM 1032 N ASN A 67 8.443 7.405 1.102 1.00 0.00 N ATOM 1033 CA ASN A 67 9.189 7.249 2.360 1.00 0.00 C ATOM 1034 C ASN A 67 8.229 7.024 3.526 1.00 0.00 C ATOM 1035 O ASN A 67 8.613 6.539 4.588 1.00 0.00 O ATOM 1036 CB ASN A 67 10.065 8.492 2.612 1.00 0.00 C ATOM 1037 CG ASN A 67 11.055 8.347 3.765 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.675 7.199 3.887 1.00 0.00 O flip ATOM 1039 ND2 ASN A 67 11.332 9.320 4.484 1.00 0.00 N flip ATOM 0 H ASN A 67 8.485 8.347 0.713 1.00 0.00 H new ATOM 0 HA ASN A 67 9.837 6.376 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.619 8.721 1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.415 9.344 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.832 10.201 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.060 9.239 5.194 1.00 0.00 H new ATOM 1046 N TRP A 68 6.992 7.351 3.306 1.00 0.00 N ATOM 1047 CA TRP A 68 5.959 7.148 4.274 1.00 0.00 C ATOM 1048 C TRP A 68 5.280 5.802 3.972 1.00 0.00 C ATOM 1049 O TRP A 68 5.053 4.986 4.876 1.00 0.00 O ATOM 1050 CB TRP A 68 4.962 8.308 4.171 1.00 0.00 C ATOM 1051 CG TRP A 68 3.887 8.343 5.210 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.931 8.988 6.406 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.596 7.735 5.134 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.739 8.829 7.067 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.911 8.067 6.313 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.950 6.949 4.182 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.623 7.643 6.565 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.669 6.528 4.439 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.021 6.881 5.618 1.00 0.00 C ATOM 0 H TRP A 68 6.668 7.773 2.436 1.00 0.00 H new ATOM 0 HA TRP A 68 6.358 7.123 5.288 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.518 9.244 4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.490 8.269 3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.778 9.543 6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.513 9.222 7.981 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.446 6.677 3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.114 7.907 7.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.156 5.913 3.714 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.990 6.539 5.784 1.00 0.00 H new ATOM 1070 N ILE A 69 5.016 5.549 2.674 1.00 0.00 N ATOM 1071 CA ILE A 69 4.339 4.312 2.226 1.00 0.00 C ATOM 1072 C ILE A 69 5.127 3.076 2.651 1.00 0.00 C ATOM 1073 O ILE A 69 4.540 2.072 3.058 1.00 0.00 O ATOM 1074 CB ILE A 69 4.148 4.233 0.681 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.523 5.504 0.137 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.234 3.051 0.343 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.403 5.533 -1.379 1.00 0.00 C ATOM 0 H ILE A 69 5.261 6.185 1.915 1.00 0.00 H new ATOM 0 HA ILE A 69 3.357 4.340 2.699 1.00 0.00 H new ATOM 0 HB ILE A 69 5.129 4.104 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.531 5.624 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.119 6.357 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.098 2.993 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.687 2.127 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.266 3.191 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.947 6.473 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.394 5.446 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.782 4.701 -1.711 1.00 0.00 H new ATOM 1089 N ARG A 70 6.462 3.175 2.588 1.00 0.00 N ATOM 1090 CA ARG A 70 7.361 2.062 2.940 1.00 0.00 C ATOM 1091 C ARG A 70 7.169 1.570 4.379 1.00 0.00 C ATOM 1092 O ARG A 70 7.605 0.490 4.725 1.00 0.00 O ATOM 1093 CB ARG A 70 8.833 2.423 2.715 1.00 0.00 C ATOM 1094 CG ARG A 70 9.300 3.630 3.485 1.00 0.00 C ATOM 1095 CD ARG A 70 10.805 3.663 3.592 1.00 0.00 C ATOM 1096 NE ARG A 70 11.285 2.731 4.621 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.564 2.532 4.955 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.543 2.993 4.193 1.00 0.00 N ATOM 1099 NH2 ARG A 70 12.857 1.818 6.031 1.00 0.00 N ATOM 0 H ARG A 70 6.949 4.022 2.294 1.00 0.00 H new ATOM 0 HA ARG A 70 7.087 1.248 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.451 1.569 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.993 2.601 1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.948 4.537 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.862 3.619 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.246 3.405 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.133 4.674 3.832 1.00 0.00 H new ATOM 0 HE ARG A 70 10.582 2.189 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.326 3.507 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.515 2.834 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.109 1.423 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.831 1.663 6.290 1.00 0.00 H new ATOM 1113 N ASN A 71 6.576 2.385 5.217 1.00 0.00 N ATOM 1114 CA ASN A 71 6.268 1.965 6.576 1.00 0.00 C ATOM 1115 C ASN A 71 4.791 1.631 6.662 1.00 0.00 C ATOM 1116 O ASN A 71 4.396 0.635 7.273 1.00 0.00 O ATOM 1117 CB ASN A 71 6.630 3.064 7.594 1.00 0.00 C ATOM 1118 CG ASN A 71 6.343 2.663 9.044 1.00 0.00 C ATOM 1119 OD1 ASN A 71 7.201 2.077 9.724 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.168 3.001 9.536 1.00 0.00 N ATOM 0 H ASN A 71 6.295 3.339 4.991 1.00 0.00 H new ATOM 0 HA ASN A 71 6.862 1.084 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.688 3.308 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.070 3.969 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.939 2.782 10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.488 3.482 8.947 1.00 0.00 H new ATOM 1127 N ALA A 72 3.987 2.464 6.002 1.00 0.00 N ATOM 1128 CA ALA A 72 2.542 2.347 5.983 1.00 0.00 C ATOM 1129 C ALA A 72 2.068 0.978 5.518 1.00 0.00 C ATOM 1130 O ALA A 72 1.426 0.257 6.281 1.00 0.00 O ATOM 1131 CB ALA A 72 1.940 3.416 5.102 1.00 0.00 C ATOM 0 H ALA A 72 4.336 3.252 5.457 1.00 0.00 H new ATOM 0 HA ALA A 72 2.205 2.478 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.855 3.315 5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.212 4.399 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.319 3.306 4.086 1.00 0.00 H new ATOM 1137 N THR A 73 2.429 0.610 4.285 1.00 0.00 N ATOM 1138 CA THR A 73 1.958 -0.631 3.683 1.00 0.00 C ATOM 1139 C THR A 73 2.404 -1.832 4.510 1.00 0.00 C ATOM 1140 O THR A 73 1.597 -2.714 4.798 1.00 0.00 O ATOM 1141 CB THR A 73 2.391 -0.777 2.169 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.759 -1.909 1.566 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.902 -0.915 2.008 1.00 0.00 C ATOM 0 H THR A 73 3.047 1.158 3.687 1.00 0.00 H new ATOM 0 HA THR A 73 0.869 -0.596 3.685 1.00 0.00 H new ATOM 0 HB THR A 73 2.073 0.139 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.039 -1.980 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.148 -1.012 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.393 -0.031 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.246 -1.800 2.543 1.00 0.00 H new ATOM 1151 N VAL A 74 3.658 -1.801 4.966 1.00 0.00 N ATOM 1152 CA VAL A 74 4.242 -2.871 5.740 1.00 0.00 C ATOM 1153 C VAL A 74 3.407 -3.164 6.969 1.00 0.00 C ATOM 1154 O VAL A 74 2.970 -4.293 7.164 1.00 0.00 O ATOM 1155 CB VAL A 74 5.709 -2.539 6.139 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.237 -3.526 7.161 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.606 -2.554 4.908 1.00 0.00 C ATOM 0 H VAL A 74 4.293 -1.020 4.801 1.00 0.00 H new ATOM 0 HA VAL A 74 4.257 -3.764 5.116 1.00 0.00 H new ATOM 0 HB VAL A 74 5.715 -1.544 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.264 -3.268 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.617 -3.489 8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.210 -4.532 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.630 -2.320 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.577 -3.542 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.254 -1.811 4.193 1.00 0.00 H new ATOM 1167 N ASN A 75 3.112 -2.125 7.731 1.00 0.00 N ATOM 1168 CA ASN A 75 2.356 -2.276 8.966 1.00 0.00 C ATOM 1169 C ASN A 75 0.966 -2.815 8.681 1.00 0.00 C ATOM 1170 O ASN A 75 0.437 -3.599 9.455 1.00 0.00 O ATOM 1171 CB ASN A 75 2.262 -0.945 9.719 1.00 0.00 C ATOM 1172 CG ASN A 75 1.790 -1.121 11.157 1.00 0.00 C ATOM 1173 OD1 ASN A 75 2.598 -1.353 12.044 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.509 -0.990 11.413 1.00 0.00 N ATOM 0 H ASN A 75 3.384 -1.166 7.517 1.00 0.00 H new ATOM 0 HA ASN A 75 2.886 -2.990 9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.238 -0.460 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.576 -0.281 9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.168 -1.082 12.370 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.145 -0.796 10.655 1.00 0.00 H new ATOM 1181 N ILE A 76 0.389 -2.417 7.554 1.00 0.00 N ATOM 1182 CA ILE A 76 -0.933 -2.899 7.158 1.00 0.00 C ATOM 1183 C ILE A 76 -0.870 -4.398 6.822 1.00 0.00 C ATOM 1184 O ILE A 76 -1.760 -5.155 7.205 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.535 -2.114 5.956 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.531 -0.597 6.222 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -2.962 -2.585 5.674 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.351 -0.153 7.420 1.00 0.00 C ATOM 0 H ILE A 76 0.813 -1.762 6.897 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.593 -2.732 8.009 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.911 -2.312 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.501 -0.271 6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.906 -0.087 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.369 -2.027 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.954 -3.648 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.582 -2.416 6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.286 0.930 7.525 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.392 -0.441 7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.965 -0.628 8.322 1.00 0.00 H new ATOM 1200 N LEU A 77 0.189 -4.830 6.129 1.00 0.00 N ATOM 1201 CA LEU A 77 0.367 -6.259 5.860 1.00 0.00 C ATOM 1202 C LEU A 77 0.545 -7.027 7.154 1.00 0.00 C ATOM 1203 O LEU A 77 -0.001 -8.125 7.322 1.00 0.00 O ATOM 1204 CB LEU A 77 1.517 -6.571 4.893 1.00 0.00 C ATOM 1205 CG LEU A 77 1.270 -6.277 3.411 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.017 -5.058 2.949 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.641 -7.472 2.574 1.00 0.00 C ATOM 0 H LEU A 77 0.920 -4.226 5.752 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.546 -6.584 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.392 -6.004 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.768 -7.627 4.993 1.00 0.00 H new ATOM 0 HG LEU A 77 0.207 -6.072 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.814 -4.886 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.693 -4.192 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.087 -5.211 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.461 -7.250 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.696 -7.705 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.036 -8.328 2.873 1.00 0.00 H new ATOM 1219 N GLU A 78 1.273 -6.427 8.078 1.00 0.00 N ATOM 1220 CA GLU A 78 1.485 -6.987 9.399 1.00 0.00 C ATOM 1221 C GLU A 78 0.144 -7.089 10.162 1.00 0.00 C ATOM 1222 O GLU A 78 -0.119 -8.080 10.853 1.00 0.00 O ATOM 1223 CB GLU A 78 2.547 -6.161 10.156 1.00 0.00 C ATOM 1224 CG GLU A 78 3.881 -6.132 9.421 1.00 0.00 C ATOM 1225 CD GLU A 78 5.018 -5.494 10.181 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.045 -4.265 10.341 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.949 -6.239 10.620 1.00 0.00 O ATOM 0 H GLU A 78 1.737 -5.531 7.931 1.00 0.00 H new ATOM 0 HA GLU A 78 1.872 -8.002 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.185 -5.142 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.691 -6.581 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.162 -7.155 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.748 -5.597 8.480 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.725 -6.092 9.961 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.084 -6.082 10.526 1.00 0.00 C ATOM 1236 C GLU A 79 -2.947 -7.183 9.899 1.00 0.00 C ATOM 1237 O GLU A 79 -3.889 -7.661 10.507 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.776 -4.741 10.276 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.217 -3.543 11.022 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.399 -3.639 12.505 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -3.528 -3.413 12.999 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -1.428 -3.897 13.214 1.00 0.00 O ATOM 0 H GLU A 79 -0.508 -5.267 9.402 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.981 -6.252 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.733 -4.529 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.829 -4.846 10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.155 -3.446 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.704 -2.637 10.660 1.00 0.00 H new ATOM 1249 N MET A 80 -2.614 -7.578 8.683 1.00 0.00 N ATOM 1250 CA MET A 80 -3.379 -8.598 7.964 1.00 0.00 C ATOM 1251 C MET A 80 -2.834 -9.993 8.214 1.00 0.00 C ATOM 1252 O MET A 80 -3.230 -10.938 7.539 1.00 0.00 O ATOM 1253 CB MET A 80 -3.432 -8.304 6.454 1.00 0.00 C ATOM 1254 CG MET A 80 -4.271 -7.094 6.097 1.00 0.00 C ATOM 1255 SD MET A 80 -4.385 -6.763 4.324 1.00 0.00 S ATOM 1256 CE MET A 80 -2.697 -6.335 3.939 1.00 0.00 C ATOM 0 H MET A 80 -1.816 -7.210 8.165 1.00 0.00 H new ATOM 0 HA MET A 80 -4.396 -8.561 8.354 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.417 -8.152 6.087 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.831 -9.177 5.937 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.277 -7.234 6.494 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.852 -6.218 6.592 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.645 -5.936 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.342 -5.583 4.644 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.071 -7.224 4.011 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.909 -10.106 9.186 1.00 0.00 N ATOM 1267 CA ASN A 81 -1.301 -11.398 9.602 1.00 0.00 C ATOM 1268 C ASN A 81 -0.410 -11.962 8.473 1.00 0.00 C ATOM 1269 O ASN A 81 0.005 -13.125 8.476 1.00 0.00 O ATOM 1270 CB ASN A 81 -2.414 -12.418 10.021 1.00 0.00 C ATOM 1271 CG ASN A 81 -1.891 -13.726 10.611 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.842 -13.763 11.256 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -2.615 -14.801 10.396 1.00 0.00 N ATOM 0 H ASN A 81 -1.557 -9.305 9.710 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.666 -11.226 10.471 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.068 -11.942 10.751 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.025 -12.648 9.148 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.313 -15.702 10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.479 -14.735 9.857 1.00 0.00 H new ATOM 1280 N LEU A 82 -0.066 -11.112 7.545 1.00 0.00 N ATOM 1281 CA LEU A 82 0.720 -11.507 6.414 1.00 0.00 C ATOM 1282 C LEU A 82 2.186 -11.429 6.755 1.00 0.00 C ATOM 1283 O LEU A 82 2.663 -10.414 7.255 1.00 0.00 O ATOM 1284 CB LEU A 82 0.400 -10.623 5.206 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.047 -10.674 4.697 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.239 -9.716 3.541 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.421 -12.083 4.275 1.00 0.00 C ATOM 0 H LEU A 82 -0.324 -10.125 7.554 1.00 0.00 H new ATOM 0 HA LEU A 82 0.475 -12.537 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.637 -9.591 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.062 -10.907 4.388 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.702 -10.372 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.271 -9.767 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.016 -8.701 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.569 -9.990 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.451 -12.095 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.756 -12.412 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.325 -12.756 5.127 1.00 0.00 H new ATOM 1299 N THR A 83 2.883 -12.491 6.515 1.00 0.00 N ATOM 1300 CA THR A 83 4.288 -12.551 6.758 1.00 0.00 C ATOM 1301 C THR A 83 5.018 -12.684 5.461 1.00 0.00 C ATOM 1302 O THR A 83 5.822 -11.851 5.129 1.00 0.00 O ATOM 1303 CB THR A 83 4.647 -13.722 7.680 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.826 -14.863 7.369 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.482 -13.338 9.119 1.00 0.00 C ATOM 0 H THR A 83 2.488 -13.353 6.140 1.00 0.00 H new ATOM 0 HA THR A 83 4.586 -11.628 7.255 1.00 0.00 H new ATOM 0 HB THR A 83 5.693 -13.982 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.062 -15.607 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.742 -14.185 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.137 -12.497 9.349 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.446 -13.052 9.303 1.00 0.00 H new ATOM 1313 N GLU A 84 4.628 -13.678 4.701 1.00 0.00 N ATOM 1314 CA GLU A 84 5.250 -14.057 3.444 1.00 0.00 C ATOM 1315 C GLU A 84 5.543 -12.855 2.509 1.00 0.00 C ATOM 1316 O GLU A 84 6.696 -12.453 2.340 1.00 0.00 O ATOM 1317 CB GLU A 84 4.423 -15.170 2.739 1.00 0.00 C ATOM 1318 CG GLU A 84 2.894 -14.943 2.687 1.00 0.00 C ATOM 1319 CD GLU A 84 2.138 -15.328 3.946 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.080 -14.525 4.902 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.541 -16.417 3.971 1.00 0.00 O ATOM 0 H GLU A 84 3.837 -14.273 4.946 1.00 0.00 H new ATOM 0 HA GLU A 84 6.231 -14.465 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.790 -15.277 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.614 -16.115 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.707 -13.890 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.487 -15.511 1.851 1.00 0.00 H new ATOM 1328 N LEU A 85 4.514 -12.253 1.973 1.00 0.00 N ATOM 1329 CA LEU A 85 4.681 -11.125 1.079 1.00 0.00 C ATOM 1330 C LEU A 85 5.070 -9.856 1.840 1.00 0.00 C ATOM 1331 O LEU A 85 5.652 -8.950 1.289 1.00 0.00 O ATOM 1332 CB LEU A 85 3.440 -10.890 0.172 1.00 0.00 C ATOM 1333 CG LEU A 85 2.082 -10.533 0.828 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.085 -10.147 -0.235 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.515 -11.689 1.637 1.00 0.00 C ATOM 0 H LEU A 85 3.544 -12.523 2.138 1.00 0.00 H new ATOM 0 HA LEU A 85 5.507 -11.378 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.689 -10.089 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.291 -11.792 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 85 2.261 -9.698 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.133 -9.897 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.456 -9.283 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.944 -10.982 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.563 -11.392 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.361 -12.548 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.214 -11.956 2.429 1.00 0.00 H new ATOM 1347 N CYS A 86 4.800 -9.819 3.113 1.00 0.00 N ATOM 1348 CA CYS A 86 5.160 -8.665 3.910 1.00 0.00 C ATOM 1349 C CYS A 86 6.680 -8.607 4.057 1.00 0.00 C ATOM 1350 O CYS A 86 7.284 -7.559 3.909 1.00 0.00 O ATOM 1351 CB CYS A 86 4.500 -8.748 5.257 1.00 0.00 C ATOM 1352 SG CYS A 86 4.848 -7.366 6.359 1.00 0.00 S ATOM 0 H CYS A 86 4.334 -10.567 3.626 1.00 0.00 H new ATOM 0 HA CYS A 86 4.818 -7.756 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.422 -8.817 5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.816 -9.671 5.744 1.00 0.00 H new ATOM 0 HG CYS A 86 5.423 -7.806 7.439 1.00 0.00 H new ATOM 1358 N LYS A 87 7.286 -9.759 4.278 1.00 0.00 N ATOM 1359 CA LYS A 87 8.736 -9.895 4.377 1.00 0.00 C ATOM 1360 C LYS A 87 9.383 -9.566 3.039 1.00 0.00 C ATOM 1361 O LYS A 87 10.547 -9.176 2.974 1.00 0.00 O ATOM 1362 CB LYS A 87 9.084 -11.309 4.830 1.00 0.00 C ATOM 1363 CG LYS A 87 8.671 -11.598 6.276 1.00 0.00 C ATOM 1364 CD LYS A 87 8.598 -13.088 6.564 1.00 0.00 C ATOM 1365 CE LYS A 87 9.926 -13.780 6.383 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.937 -13.338 7.366 1.00 0.00 N ATOM 0 H LYS A 87 6.784 -10.639 4.396 1.00 0.00 H new ATOM 0 HA LYS A 87 9.123 -9.193 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.596 -12.026 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.158 -11.462 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.385 -11.133 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.700 -11.143 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.250 -13.240 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.861 -13.546 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.785 -14.857 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.296 -13.589 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.802 -13.903 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.157 -12.334 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.564 -13.466 8.329 1.00 0.00 H new ATOM 1380 N MET A 88 8.612 -9.718 1.979 1.00 0.00 N ATOM 1381 CA MET A 88 9.028 -9.316 0.663 1.00 0.00 C ATOM 1382 C MET A 88 9.078 -7.797 0.629 1.00 0.00 C ATOM 1383 O MET A 88 10.073 -7.216 0.280 1.00 0.00 O ATOM 1384 CB MET A 88 8.039 -9.844 -0.380 1.00 0.00 C ATOM 1385 CG MET A 88 8.332 -9.426 -1.810 1.00 0.00 C ATOM 1386 SD MET A 88 7.114 -10.063 -2.997 1.00 0.00 S ATOM 1387 CE MET A 88 7.358 -11.834 -2.828 1.00 0.00 C ATOM 0 H MET A 88 7.678 -10.126 2.014 1.00 0.00 H new ATOM 0 HA MET A 88 10.012 -9.725 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.028 -10.933 -0.330 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.038 -9.503 -0.115 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.353 -8.338 -1.868 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.324 -9.780 -2.090 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.933 -12.344 -3.692 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.425 -12.050 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.865 -12.184 -1.921 1.00 0.00 H new ATOM 1397 N ALA A 89 8.006 -7.176 1.077 1.00 0.00 N ATOM 1398 CA ALA A 89 7.895 -5.715 1.121 1.00 0.00 C ATOM 1399 C ALA A 89 8.990 -5.095 1.980 1.00 0.00 C ATOM 1400 O ALA A 89 9.633 -4.144 1.582 1.00 0.00 O ATOM 1401 CB ALA A 89 6.547 -5.301 1.679 1.00 0.00 C ATOM 0 H ALA A 89 7.180 -7.663 1.424 1.00 0.00 H new ATOM 0 HA ALA A 89 8.002 -5.356 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.482 -4.213 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.754 -5.697 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.435 -5.695 2.689 1.00 0.00 H new ATOM 1407 N LYS A 90 9.201 -5.659 3.145 1.00 0.00 N ATOM 1408 CA LYS A 90 10.189 -5.146 4.099 1.00 0.00 C ATOM 1409 C LYS A 90 11.610 -5.287 3.546 1.00 0.00 C ATOM 1410 O LYS A 90 12.504 -4.497 3.869 1.00 0.00 O ATOM 1411 CB LYS A 90 10.036 -5.869 5.453 1.00 0.00 C ATOM 1412 CG LYS A 90 8.612 -5.782 5.991 1.00 0.00 C ATOM 1413 CD LYS A 90 8.380 -6.524 7.308 1.00 0.00 C ATOM 1414 CE LYS A 90 9.043 -5.834 8.484 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.650 -6.453 9.779 1.00 0.00 N ATOM 0 H LYS A 90 8.700 -6.486 3.470 1.00 0.00 H new ATOM 0 HA LYS A 90 10.008 -4.083 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.317 -6.916 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.724 -5.432 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.355 -4.732 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.929 -6.180 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.309 -6.603 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.765 -7.540 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.126 -5.883 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.770 -4.779 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.211 -6.035 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.640 -6.280 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.824 -7.478 9.741 1.00 0.00 H new ATOM 1429 N ALA A 91 11.806 -6.260 2.690 1.00 0.00 N ATOM 1430 CA ALA A 91 13.103 -6.477 2.107 1.00 0.00 C ATOM 1431 C ALA A 91 13.277 -5.712 0.806 1.00 0.00 C ATOM 1432 O ALA A 91 14.378 -5.306 0.463 1.00 0.00 O ATOM 1433 CB ALA A 91 13.367 -7.964 1.911 1.00 0.00 C ATOM 0 H ALA A 91 11.084 -6.912 2.383 1.00 0.00 H new ATOM 0 HA ALA A 91 13.843 -6.089 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.354 -8.103 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.327 -8.471 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.610 -8.384 1.248 1.00 0.00 H new ATOM 1439 N GLU A 92 12.201 -5.495 0.110 1.00 0.00 N ATOM 1440 CA GLU A 92 12.264 -4.888 -1.204 1.00 0.00 C ATOM 1441 C GLU A 92 11.875 -3.432 -1.238 1.00 0.00 C ATOM 1442 O GLU A 92 12.547 -2.642 -1.851 1.00 0.00 O ATOM 1443 CB GLU A 92 11.390 -5.659 -2.164 1.00 0.00 C ATOM 1444 CG GLU A 92 11.821 -7.091 -2.320 1.00 0.00 C ATOM 1445 CD GLU A 92 11.620 -7.651 -3.691 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.517 -7.485 -4.540 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.614 -8.323 -3.928 1.00 0.00 O ATOM 0 H GLU A 92 11.259 -5.728 0.425 1.00 0.00 H new ATOM 0 HA GLU A 92 13.312 -4.931 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.359 -5.631 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.408 -5.170 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.876 -7.170 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.270 -7.703 -1.606 1.00 0.00 H new ATOM 1454 N MET A 93 10.812 -3.079 -0.572 1.00 0.00 N ATOM 1455 CA MET A 93 10.271 -1.740 -0.706 1.00 0.00 C ATOM 1456 C MET A 93 11.060 -0.743 0.106 1.00 0.00 C ATOM 1457 O MET A 93 11.194 0.427 -0.270 1.00 0.00 O ATOM 1458 CB MET A 93 8.838 -1.672 -0.232 1.00 0.00 C ATOM 1459 CG MET A 93 8.114 -0.540 -0.872 1.00 0.00 C ATOM 1460 SD MET A 93 6.669 0.000 0.033 1.00 0.00 S ATOM 1461 CE MET A 93 6.333 1.518 -0.846 1.00 0.00 C ATOM 0 H MET A 93 10.300 -3.688 0.066 1.00 0.00 H new ATOM 0 HA MET A 93 10.330 -1.496 -1.767 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.331 -2.609 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.815 -1.556 0.852 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.798 0.301 -0.980 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.812 -0.836 -1.877 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.415 1.964 -0.464 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.161 2.212 -0.703 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.218 1.305 -1.909 1.00 0.00 H new