USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 353 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 251 HIS :FLIP no HD1:sc= 0.696 F(o=-3,f=-1.3) USER MOD Set 1.2: B 211 TYR OH : rot -5:sc= -2.01! USER MOD Set 2.1: A 250 ASN : amide:sc= -0.027 K(o=-1.1,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Set 3.1: A 238 GLN : amide:sc= -1.89! C(o=-3.9!,f=-4.4!) USER MOD Set 3.2: A 248 TYR OH : rot 103:sc= -2.06! USER MOD Single : A 240 MET CE :methyl 165:sc= -0.0683 (180deg=-0.409) USER MOD Single : A 241 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 247 TYR OH : rot -40:sc= -1.44! USER MOD Single : A 252 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.03) USER MOD Single : A 254 LYS NZ :NH3+ -138:sc= -2.79! (180deg=-5.25!) USER MOD Single : A 255 THR OG1 : rot 180:sc=-0.00521 USER MOD Single : A 256 THR OG1 : rot 177:sc= 0.351 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot -21:sc= 0.314 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.623 -0.516 -6.106 1.00 15.00 N ATOM 2 CA GLY A 230 10.849 -1.976 -5.960 1.00 15.00 C ATOM 3 C GLY A 230 10.991 -2.382 -4.509 1.00 15.00 C ATOM 4 O GLY A 230 10.042 -2.883 -3.912 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.017 -2.519 -6.409 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.748 -2.261 -6.506 1.00 15.00 H new ATOM 10 N PRO A 231 12.176 -2.201 -3.908 1.00 15.00 N ATOM 11 CA PRO A 231 12.360 -2.440 -2.480 1.00 15.00 C ATOM 12 C PRO A 231 11.724 -1.330 -1.642 1.00 15.00 C ATOM 13 O PRO A 231 12.114 -0.169 -1.736 1.00 15.00 O ATOM 14 CB PRO A 231 13.879 -2.451 -2.310 1.00 15.00 C ATOM 15 CG PRO A 231 14.397 -1.614 -3.431 1.00 15.00 C ATOM 16 CD PRO A 231 13.427 -1.782 -4.570 1.00 15.00 C ATOM 0 HA PRO A 231 11.887 -3.363 -2.146 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.171 -2.041 -1.343 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.275 -3.465 -2.359 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.469 -0.568 -3.133 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.398 -1.932 -3.723 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.295 -0.852 -5.123 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.773 -2.531 -5.283 1.00 15.00 H new ATOM 24 N LEU A 232 10.727 -1.688 -0.847 1.00 15.00 N ATOM 25 CA LEU A 232 10.002 -0.715 -0.035 1.00 15.00 C ATOM 26 C LEU A 232 10.653 -0.528 1.327 1.00 15.00 C ATOM 27 O LEU A 232 11.439 -1.366 1.762 1.00 15.00 O ATOM 28 CB LEU A 232 8.518 -1.042 0.171 1.00 15.00 C ATOM 29 CG LEU A 232 7.564 -0.698 -0.975 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.137 0.762 -1.016 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.138 -1.102 -2.312 1.00 15.00 C ATOM 0 H LEU A 232 10.399 -2.648 -0.745 1.00 15.00 H new ATOM 0 HA LEU A 232 10.055 0.208 -0.613 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.432 -2.109 0.374 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.177 -0.519 1.064 1.00 15.00 H new ATOM 0 HG LEU A 232 6.665 -1.279 -0.772 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.462 0.920 -1.857 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.626 1.018 -0.088 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.017 1.395 -1.132 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.434 -0.843 -3.103 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.079 -0.578 -2.477 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.315 -2.177 -2.322 1.00 15.00 H new ATOM 43 N PRO A 233 10.336 0.585 2.016 1.00 15.00 N ATOM 44 CA PRO A 233 10.934 0.956 3.320 1.00 15.00 C ATOM 45 C PRO A 233 10.717 -0.084 4.428 1.00 15.00 C ATOM 46 O PRO A 233 11.260 0.066 5.523 1.00 15.00 O ATOM 47 CB PRO A 233 10.171 2.243 3.650 1.00 15.00 C ATOM 48 CG PRO A 233 9.916 2.809 2.312 1.00 15.00 C ATOM 49 CD PRO A 233 9.356 1.622 1.606 1.00 15.00 C ATOM 0 HA PRO A 233 12.019 1.047 3.261 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.245 2.040 4.189 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.760 2.917 4.271 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.212 3.641 2.343 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.826 3.179 1.840 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.342 1.386 1.929 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.323 1.759 0.525 1.00 15.00 H new ATOM 57 N ASP A 234 9.868 -1.085 4.151 1.00 15.00 N ATOM 58 CA ASP A 234 9.603 -2.223 5.059 1.00 15.00 C ATOM 59 C ASP A 234 8.488 -1.920 6.034 1.00 15.00 C ATOM 60 O ASP A 234 8.228 -2.689 6.958 1.00 15.00 O ATOM 61 CB ASP A 234 10.852 -2.670 5.835 1.00 15.00 C ATOM 62 CG ASP A 234 11.645 -3.733 5.111 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.261 -4.918 5.192 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.664 -3.395 4.475 1.00 15.00 O1- ATOM 0 H ASP A 234 9.337 -1.132 3.281 1.00 15.00 H new ATOM 0 HA ASP A 234 9.296 -3.044 4.411 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.491 -1.805 6.014 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.550 -3.050 6.811 1.00 15.00 H new ATOM 69 N GLY A 235 7.800 -0.823 5.812 1.00 15.00 N ATOM 70 CA GLY A 235 6.621 -0.547 6.589 1.00 15.00 C ATOM 71 C GLY A 235 5.384 -1.099 5.920 1.00 15.00 C ATOM 72 O GLY A 235 4.419 -1.463 6.583 1.00 15.00 O ATOM 0 H GLY A 235 8.034 -0.120 5.111 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.726 -0.984 7.582 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.515 0.529 6.724 1.00 15.00 H new ATOM 76 N TRP A 236 5.444 -1.216 4.603 1.00 15.00 N ATOM 77 CA TRP A 236 4.270 -1.520 3.800 1.00 15.00 C ATOM 78 C TRP A 236 4.499 -2.546 2.697 1.00 15.00 C ATOM 79 O TRP A 236 5.577 -2.635 2.108 1.00 15.00 O ATOM 80 CB TRP A 236 3.658 -0.235 3.234 1.00 15.00 C ATOM 81 CG TRP A 236 4.617 0.895 2.987 1.00 15.00 C ATOM 82 CD1 TRP A 236 5.947 0.841 2.675 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.287 2.283 3.076 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.451 2.109 2.587 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.454 3.011 2.823 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.108 2.975 3.347 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.484 4.402 2.840 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.132 4.356 3.362 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.316 5.057 3.112 1.00 15.00 C ATOM 0 H TRP A 236 6.302 -1.104 4.063 1.00 15.00 H new ATOM 0 HA TRP A 236 3.565 -1.993 4.484 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.160 -0.476 2.294 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.888 0.112 3.923 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.514 -0.066 2.521 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.421 2.344 2.378 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.190 2.440 3.542 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.397 4.944 2.645 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.224 4.902 3.570 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.307 6.137 3.134 1.00 15.00 H new ATOM 100 N GLU A 237 3.424 -3.288 2.422 1.00 15.00 N ATOM 101 CA GLU A 237 3.399 -4.354 1.432 1.00 15.00 C ATOM 102 C GLU A 237 2.426 -3.954 0.318 1.00 15.00 C ATOM 103 O GLU A 237 1.397 -3.333 0.595 1.00 15.00 O ATOM 104 CB GLU A 237 2.929 -5.640 2.129 1.00 15.00 C ATOM 105 CG GLU A 237 3.442 -6.935 1.515 1.00 15.00 C ATOM 106 CD GLU A 237 2.873 -7.221 0.141 1.00 15.00 C ATOM 107 OE1 GLU A 237 1.724 -7.700 0.060 1.00 15.00 O ATOM 108 OE2 GLU A 237 3.579 -6.969 -0.862 1.00 15.00 O1- ATOM 0 H GLU A 237 2.530 -3.157 2.895 1.00 15.00 H new ATOM 0 HA GLU A 237 4.385 -4.521 0.998 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.241 -5.603 3.173 1.00 15.00 H new ATOM 0 HB3 GLU A 237 1.839 -5.660 2.122 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.529 -6.889 1.447 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.199 -7.764 2.180 1.00 15.00 H new ATOM 115 N GLN A 238 2.720 -4.324 -0.922 1.00 15.00 N ATOM 116 CA GLN A 238 1.914 -3.885 -2.056 1.00 15.00 C ATOM 117 C GLN A 238 0.775 -4.875 -2.331 1.00 15.00 C ATOM 118 O GLN A 238 1.006 -5.968 -2.850 1.00 15.00 O ATOM 119 CB GLN A 238 2.785 -3.736 -3.307 1.00 15.00 C ATOM 120 CG GLN A 238 2.035 -3.249 -4.534 1.00 15.00 C ATOM 121 CD GLN A 238 2.834 -3.453 -5.803 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.614 -2.593 -6.209 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.644 -4.599 -6.436 1.00 15.00 N ATOM 0 H GLN A 238 3.507 -4.924 -1.168 1.00 15.00 H new ATOM 0 HA GLN A 238 1.482 -2.916 -1.806 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.596 -3.040 -3.091 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.243 -4.699 -3.534 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.086 -3.779 -4.613 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.800 -2.191 -4.419 1.00 15.00 H new ATOM 0 HE21 GLN A 238 1.987 -5.285 -6.064 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.155 -4.797 -7.296 1.00 15.00 H new ATOM 132 N ALA A 239 -0.445 -4.506 -1.958 1.00 15.00 N ATOM 133 CA ALA A 239 -1.609 -5.339 -2.203 1.00 15.00 C ATOM 134 C ALA A 239 -2.341 -4.868 -3.451 1.00 15.00 C ATOM 135 O ALA A 239 -2.303 -3.686 -3.793 1.00 15.00 O ATOM 136 CB ALA A 239 -2.536 -5.321 -1.001 1.00 15.00 C ATOM 0 H ALA A 239 -0.651 -3.628 -1.481 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.277 -6.365 -2.364 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.403 -5.950 -1.201 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.006 -5.700 -0.127 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.865 -4.299 -0.811 1.00 15.00 H new ATOM 142 N MET A 240 -2.990 -5.796 -4.136 1.00 15.00 N ATOM 143 CA MET A 240 -3.665 -5.496 -5.391 1.00 15.00 C ATOM 144 C MET A 240 -5.177 -5.580 -5.219 1.00 15.00 C ATOM 145 O MET A 240 -5.687 -6.564 -4.687 1.00 15.00 O ATOM 146 CB MET A 240 -3.228 -6.493 -6.467 1.00 15.00 C ATOM 147 CG MET A 240 -1.727 -6.536 -6.705 1.00 15.00 C ATOM 148 SD MET A 240 -1.242 -7.870 -7.822 1.00 15.00 S ATOM 149 CE MET A 240 -2.125 -7.412 -9.313 1.00 15.00 C ATOM 0 H MET A 240 -3.064 -6.770 -3.842 1.00 15.00 H new ATOM 0 HA MET A 240 -3.395 -4.484 -5.692 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.568 -7.489 -6.183 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.726 -6.241 -7.403 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.401 -5.582 -7.120 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.215 -6.661 -5.751 1.00 15.00 H new ATOM 0 HE1 MET A 240 -1.727 -7.973 -10.158 1.00 15.00 H new ATOM 0 HE2 MET A 240 -3.184 -7.640 -9.193 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.002 -6.344 -9.496 1.00 15.00 H new ATOM 159 N THR A 241 -5.893 -4.556 -5.665 1.00 15.00 N ATOM 160 CA THR A 241 -7.347 -4.615 -5.682 1.00 15.00 C ATOM 161 C THR A 241 -7.831 -4.907 -7.100 1.00 15.00 C ATOM 162 O THR A 241 -7.263 -4.396 -8.078 1.00 15.00 O ATOM 163 CB THR A 241 -8.011 -3.317 -5.151 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.428 -3.499 -5.060 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.720 -2.118 -6.040 1.00 15.00 C ATOM 0 H THR A 241 -5.496 -3.685 -6.016 1.00 15.00 H new ATOM 0 HA THR A 241 -7.645 -5.418 -5.008 1.00 15.00 H new ATOM 0 HB THR A 241 -7.588 -3.117 -4.166 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.651 -3.902 -4.195 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.205 -1.233 -5.628 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.644 -1.953 -6.087 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.102 -2.308 -7.043 1.00 15.00 H new ATOM 173 N GLN A 242 -8.883 -5.721 -7.208 1.00 15.00 N ATOM 174 CA GLN A 242 -9.409 -6.148 -8.503 1.00 15.00 C ATOM 175 C GLN A 242 -9.981 -4.962 -9.278 1.00 15.00 C ATOM 176 O GLN A 242 -10.313 -5.075 -10.459 1.00 15.00 O ATOM 177 CB GLN A 242 -10.482 -7.223 -8.318 1.00 15.00 C ATOM 178 CG GLN A 242 -10.851 -7.951 -9.602 1.00 15.00 C ATOM 179 CD GLN A 242 -12.009 -8.912 -9.423 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.218 -9.468 -8.345 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.769 -9.117 -10.488 1.00 15.00 N ATOM 0 H GLN A 242 -9.389 -6.099 -6.407 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.585 -6.569 -9.079 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.131 -7.951 -7.587 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.378 -6.761 -7.903 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.108 -7.219 -10.368 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.982 -8.500 -9.965 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -12.561 -8.636 -11.363 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.562 -9.756 -10.433 1.00 15.00 H new ATOM 190 N ASP A 243 -10.100 -3.824 -8.603 1.00 15.00 N ATOM 191 CA ASP A 243 -10.556 -2.598 -9.245 1.00 15.00 C ATOM 192 C ASP A 243 -9.464 -2.054 -10.171 1.00 15.00 C ATOM 193 O ASP A 243 -9.682 -1.111 -10.928 1.00 15.00 O ATOM 194 CB ASP A 243 -10.953 -1.558 -8.189 1.00 15.00 C ATOM 195 CG ASP A 243 -11.710 -0.375 -8.771 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.519 -0.577 -9.704 1.00 15.00 O ATOM 197 OD2 ASP A 243 -11.521 0.758 -8.280 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.887 -3.726 -7.610 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.437 -2.818 -9.847 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.570 -2.038 -7.429 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -10.055 -1.196 -7.689 1.00 15.00 H new ATOM 202 N GLY A 244 -8.285 -2.670 -10.106 1.00 15.00 N ATOM 203 CA GLY A 244 -7.217 -2.344 -11.034 1.00 15.00 C ATOM 204 C GLY A 244 -6.178 -1.396 -10.466 1.00 15.00 C ATOM 205 O GLY A 244 -5.538 -0.660 -11.217 1.00 15.00 O ATOM 0 H GLY A 244 -8.051 -3.392 -9.424 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.724 -3.265 -11.343 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.650 -1.899 -11.929 1.00 15.00 H new ATOM 209 N GLU A 245 -5.984 -1.420 -9.152 1.00 15.00 N ATOM 210 CA GLU A 245 -5.028 -0.515 -8.511 1.00 15.00 C ATOM 211 C GLU A 245 -4.276 -1.241 -7.396 1.00 15.00 C ATOM 212 O GLU A 245 -4.806 -2.164 -6.778 1.00 15.00 O ATOM 213 CB GLU A 245 -5.745 0.726 -7.951 1.00 15.00 C ATOM 214 CG GLU A 245 -6.441 1.565 -9.016 1.00 15.00 C ATOM 215 CD GLU A 245 -7.140 2.791 -8.463 1.00 15.00 C ATOM 216 OE1 GLU A 245 -8.135 2.637 -7.729 1.00 15.00 O ATOM 217 OE2 GLU A 245 -6.719 3.922 -8.798 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.469 -2.049 -8.512 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.310 -0.187 -9.262 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.482 0.407 -7.214 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.019 1.349 -7.428 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.706 1.880 -9.756 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.171 0.944 -9.536 1.00 15.00 H new ATOM 224 N ILE A 246 -3.039 -0.831 -7.146 1.00 15.00 N ATOM 225 CA ILE A 246 -2.237 -1.435 -6.089 1.00 15.00 C ATOM 226 C ILE A 246 -1.989 -0.423 -4.977 1.00 15.00 C ATOM 227 O ILE A 246 -1.870 0.773 -5.236 1.00 15.00 O ATOM 228 CB ILE A 246 -0.889 -1.973 -6.626 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.044 -0.820 -7.033 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.130 -2.923 -7.793 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.175 -1.238 -7.952 1.00 15.00 C ATOM 0 H ILE A 246 -2.570 -0.085 -7.659 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.797 -2.282 -5.692 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.395 -2.527 -5.827 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.545 -0.047 -7.526 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.467 -0.373 -6.133 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.174 -3.295 -8.163 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.741 -3.761 -7.459 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.647 -2.393 -8.593 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.788 -0.369 -8.193 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.789 -1.989 -7.455 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.762 -1.657 -8.870 1.00 15.00 H new ATOM 243 N TYR A 247 -1.926 -0.902 -3.744 1.00 15.00 N ATOM 244 CA TYR A 247 -1.804 -0.025 -2.589 1.00 15.00 C ATOM 245 C TYR A 247 -0.886 -0.646 -1.526 1.00 15.00 C ATOM 246 O TYR A 247 -0.969 -1.847 -1.259 1.00 15.00 O ATOM 247 CB TYR A 247 -3.197 0.248 -1.991 1.00 15.00 C ATOM 248 CG TYR A 247 -3.974 -1.009 -1.631 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.614 -1.757 -2.612 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.054 -1.451 -0.313 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.310 -2.905 -2.294 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.749 -2.606 0.010 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.372 -3.326 -0.988 1.00 15.00 C ATOM 254 OH TYR A 247 -6.055 -4.478 -0.679 1.00 15.00 O ATOM 0 H TYR A 247 -1.957 -1.896 -3.517 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.361 0.916 -2.914 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.083 0.861 -1.097 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.779 0.831 -2.705 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.566 -1.434 -3.641 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.568 -0.886 0.469 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.805 -3.471 -3.070 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.802 -2.940 1.036 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.878 -4.523 -1.210 1.00 15.00 H new ATOM 264 N TYR A 248 -0.028 0.165 -0.912 1.00 15.00 N ATOM 265 CA TYR A 248 0.864 -0.306 0.132 1.00 15.00 C ATOM 266 C TYR A 248 0.210 -0.181 1.504 1.00 15.00 C ATOM 267 O TYR A 248 -0.145 0.918 1.938 1.00 15.00 O ATOM 268 CB TYR A 248 2.179 0.480 0.113 1.00 15.00 C ATOM 269 CG TYR A 248 3.117 0.057 -0.990 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.919 -1.063 -0.839 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.198 0.762 -2.182 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.764 -1.470 -1.847 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.042 0.355 -3.194 1.00 15.00 C ATOM 274 CZ TYR A 248 4.818 -0.760 -3.025 1.00 15.00 C ATOM 275 OH TYR A 248 5.649 -1.168 -4.040 1.00 15.00 O ATOM 0 H TYR A 248 0.065 1.158 -1.125 1.00 15.00 H new ATOM 0 HA TYR A 248 1.076 -1.358 -0.060 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.957 1.541 0.003 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.681 0.357 1.073 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.881 -1.625 0.083 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.590 1.644 -2.320 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.383 -2.345 -1.714 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.091 0.914 -4.117 1.00 15.00 H new ATOM 0 HH TYR A 248 5.121 -1.609 -4.738 1.00 15.00 H new ATOM 285 N ILE A 249 0.052 -1.315 2.173 1.00 15.00 N ATOM 286 CA ILE A 249 -0.477 -1.347 3.526 1.00 15.00 C ATOM 287 C ILE A 249 0.662 -1.235 4.539 1.00 15.00 C ATOM 288 O ILE A 249 1.481 -2.148 4.670 1.00 15.00 O ATOM 289 CB ILE A 249 -1.275 -2.645 3.779 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.495 -3.862 3.267 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.642 -2.562 3.115 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.127 -5.191 3.613 1.00 15.00 C ATOM 0 H ILE A 249 0.286 -2.233 1.794 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.151 -0.499 3.645 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.421 -2.761 4.853 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.399 -3.789 2.184 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.514 -3.833 3.679 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.194 -3.483 3.301 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.196 -1.718 3.526 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.517 -2.425 2.041 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.514 -6.000 3.215 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.198 -5.289 4.696 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.125 -5.244 3.177 1.00 15.00 H new ATOM 304 N ASN A 250 0.719 -0.121 5.254 1.00 15.00 N ATOM 305 CA ASN A 250 1.828 0.133 6.164 1.00 15.00 C ATOM 306 C ASN A 250 1.509 -0.426 7.565 1.00 15.00 C ATOM 307 O ASN A 250 0.607 0.081 8.228 1.00 15.00 O ATOM 308 CB ASN A 250 2.104 1.640 6.260 1.00 15.00 C ATOM 309 CG ASN A 250 3.390 1.964 7.003 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.808 1.238 7.903 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.025 3.063 6.633 1.00 15.00 N ATOM 0 H ASN A 250 0.016 0.617 5.223 1.00 15.00 H new ATOM 0 HA ASN A 250 2.715 -0.367 5.774 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.157 2.059 5.255 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.268 2.125 6.764 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.892 3.333 7.099 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.648 3.641 5.882 1.00 15.00 H new ATOM 318 N HIS A 251 2.240 -1.464 8.019 1.00 15.00 N ATOM 319 CA HIS A 251 1.962 -2.102 9.298 1.00 15.00 C ATOM 320 C HIS A 251 2.602 -1.326 10.442 1.00 15.00 C ATOM 321 O HIS A 251 2.207 -1.462 11.599 1.00 15.00 O ATOM 322 CB HIS A 251 2.490 -3.544 9.304 1.00 15.00 C ATOM 323 CG HIS A 251 1.887 -4.434 8.257 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.693 -5.070 8.217 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.542 -4.786 7.094 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.648 -5.786 7.047 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.776 -5.594 6.389 1.00 15.00 N flip ATOM 0 H HIS A 251 3.025 -1.870 7.510 1.00 15.00 H new ATOM 0 HA HIS A 251 0.881 -2.112 9.438 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.571 -3.522 9.165 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.304 -3.981 10.285 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.528 -4.452 6.807 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.174 -6.404 6.719 1.00 15.00 H new ATOM 0 HE2 HIS A 251 2.015 -6.003 5.486 1.00 15.00 H new ATOM 336 N LYS A 252 3.614 -0.533 10.114 1.00 15.00 N ATOM 337 CA LYS A 252 4.347 0.224 11.122 1.00 15.00 C ATOM 338 C LYS A 252 3.683 1.570 11.414 1.00 15.00 C ATOM 339 O LYS A 252 3.881 2.147 12.482 1.00 15.00 O ATOM 340 CB LYS A 252 5.806 0.444 10.693 1.00 15.00 C ATOM 341 CG LYS A 252 6.718 -0.767 10.884 1.00 15.00 C ATOM 342 CD LYS A 252 6.311 -1.950 10.014 1.00 15.00 C ATOM 343 CE LYS A 252 7.279 -3.118 10.162 1.00 15.00 C ATOM 344 NZ LYS A 252 8.630 -2.795 9.626 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.946 -0.397 9.159 1.00 15.00 H new ATOM 0 HA LYS A 252 4.332 -0.368 12.037 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.822 0.731 9.642 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.214 1.282 11.258 1.00 15.00 H new ATOM 0 HG2 LYS A 252 7.744 -0.485 10.650 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.701 -1.068 11.931 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.306 -2.273 10.286 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.274 -1.638 8.970 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.362 -3.389 11.215 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.880 -3.988 9.640 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.211 -3.658 9.606 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.539 -2.416 8.662 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 9.085 -2.086 10.236 1.00 15.00 H new ATOM 358 N ASN A 253 2.929 2.092 10.456 1.00 15.00 N ATOM 359 CA ASN A 253 2.259 3.375 10.643 1.00 15.00 C ATOM 360 C ASN A 253 0.739 3.237 10.591 1.00 15.00 C ATOM 361 O ASN A 253 0.025 4.174 10.952 1.00 15.00 O ATOM 362 CB ASN A 253 2.709 4.388 9.585 1.00 15.00 C ATOM 363 CG ASN A 253 4.161 4.808 9.719 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.821 5.114 8.726 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.670 4.839 10.940 1.00 15.00 N ATOM 0 H ASN A 253 2.766 1.653 9.550 1.00 15.00 H new ATOM 0 HA ASN A 253 2.541 3.733 11.633 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.554 3.959 8.595 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.077 5.273 9.651 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.639 5.123 11.081 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.093 4.579 11.740 1.00 15.00 H new ATOM 372 N LYS A 254 0.250 2.076 10.144 1.00 15.00 N ATOM 373 CA LYS A 254 -1.186 1.857 9.962 1.00 15.00 C ATOM 374 C LYS A 254 -1.728 2.849 8.920 1.00 15.00 C ATOM 375 O LYS A 254 -2.788 3.452 9.090 1.00 15.00 O ATOM 376 CB LYS A 254 -1.914 2.007 11.310 1.00 15.00 C ATOM 377 CG LYS A 254 -3.390 1.634 11.287 1.00 15.00 C ATOM 378 CD LYS A 254 -4.113 2.081 12.551 1.00 15.00 C ATOM 379 CE LYS A 254 -4.318 3.596 12.591 1.00 15.00 C ATOM 380 NZ LYS A 254 -3.052 4.342 12.829 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.830 1.273 9.901 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.362 0.845 9.597 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.409 1.386 12.050 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.821 3.040 11.644 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.865 2.089 10.418 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.489 0.554 11.176 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.081 1.583 12.610 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.541 1.770 13.425 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.756 3.924 11.648 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.032 3.841 13.377 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -3.226 5.114 13.503 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -2.336 3.696 13.219 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -2.708 4.738 11.931 1.00 15.00 H new ATOM 394 N THR A 255 -0.998 2.976 7.817 1.00 15.00 N ATOM 395 CA THR A 255 -1.315 3.965 6.789 1.00 15.00 C ATOM 396 C THR A 255 -1.357 3.301 5.405 1.00 15.00 C ATOM 397 O THR A 255 -0.641 2.330 5.168 1.00 15.00 O ATOM 398 CB THR A 255 -0.250 5.090 6.787 1.00 15.00 C ATOM 399 OG1 THR A 255 0.041 5.487 8.133 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.713 6.307 5.998 1.00 15.00 C ATOM 0 H THR A 255 -0.179 2.404 7.610 1.00 15.00 H new ATOM 0 HA THR A 255 -2.293 4.392 7.011 1.00 15.00 H new ATOM 0 HB THR A 255 0.645 4.693 6.308 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.716 6.197 8.126 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.063 7.072 6.021 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.907 6.019 4.965 1.00 15.00 H new ATOM 0 HG23 THR A 255 -1.627 6.702 6.442 1.00 15.00 H new ATOM 408 N THR A 256 -2.201 3.797 4.501 1.00 15.00 N ATOM 409 CA THR A 256 -2.239 3.278 3.140 1.00 15.00 C ATOM 410 C THR A 256 -1.738 4.325 2.141 1.00 15.00 C ATOM 411 O THR A 256 -2.234 5.451 2.111 1.00 15.00 O ATOM 412 CB THR A 256 -3.669 2.857 2.739 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.344 2.258 3.852 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.628 1.866 1.586 1.00 15.00 C ATOM 0 H THR A 256 -2.862 4.552 4.687 1.00 15.00 H new ATOM 0 HA THR A 256 -1.587 2.405 3.115 1.00 15.00 H new ATOM 0 HB THR A 256 -4.210 3.750 2.427 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.266 2.043 3.598 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.644 1.580 1.316 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.141 2.327 0.727 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.069 0.980 1.888 1.00 15.00 H new ATOM 422 N SER A 257 -0.750 3.954 1.339 1.00 15.00 N ATOM 423 CA SER A 257 -0.249 4.811 0.265 1.00 15.00 C ATOM 424 C SER A 257 -0.072 3.971 -0.994 1.00 15.00 C ATOM 425 O SER A 257 0.496 2.896 -0.928 1.00 15.00 O ATOM 426 CB SER A 257 1.081 5.456 0.667 1.00 15.00 C ATOM 427 OG SER A 257 0.929 6.294 1.804 1.00 15.00 O ATOM 0 H SER A 257 -0.273 3.055 1.411 1.00 15.00 H new ATOM 0 HA SER A 257 -0.965 5.610 0.075 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.814 4.678 0.882 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.471 6.039 -0.167 1.00 15.00 H new ATOM 0 HG SER A 257 1.795 6.690 2.037 1.00 15.00 H new ATOM 433 N TRP A 258 -0.524 4.479 -2.137 1.00 15.00 N ATOM 434 CA TRP A 258 -0.639 3.670 -3.355 1.00 15.00 C ATOM 435 C TRP A 258 0.697 3.082 -3.823 1.00 15.00 C ATOM 436 O TRP A 258 0.881 1.867 -3.826 1.00 15.00 O ATOM 437 CB TRP A 258 -1.221 4.500 -4.499 1.00 15.00 C ATOM 438 CG TRP A 258 -2.642 4.927 -4.305 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.078 6.163 -3.935 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.814 4.127 -4.489 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.449 6.183 -3.884 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.925 4.944 -4.219 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.031 2.799 -4.857 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.233 4.477 -4.310 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.328 2.336 -4.946 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.414 3.173 -4.675 1.00 15.00 C ATOM 0 H TRP A 258 -0.818 5.449 -2.249 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.301 2.844 -3.095 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.605 5.389 -4.634 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.153 3.921 -5.420 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.438 7.004 -3.714 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.021 6.990 -3.637 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.198 2.145 -5.069 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.074 5.122 -4.100 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.507 1.309 -5.230 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.417 2.781 -4.756 1.00 15.00 H new ATOM 457 N LEU A 259 1.618 3.949 -4.216 1.00 15.00 N ATOM 458 CA LEU A 259 2.818 3.522 -4.927 1.00 15.00 C ATOM 459 C LEU A 259 4.097 3.824 -4.166 1.00 15.00 C ATOM 460 O LEU A 259 4.124 4.682 -3.283 1.00 15.00 O ATOM 461 CB LEU A 259 2.868 4.121 -6.329 1.00 15.00 C ATOM 462 CG LEU A 259 2.087 3.324 -7.373 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.256 3.943 -8.751 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.540 1.864 -7.372 1.00 15.00 C ATOM 0 H LEU A 259 1.559 4.955 -4.055 1.00 15.00 H new ATOM 0 HA LEU A 259 2.754 2.437 -5.012 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.475 5.137 -6.293 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.909 4.193 -6.645 1.00 15.00 H new ATOM 0 HG LEU A 259 1.028 3.354 -7.116 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.693 3.363 -9.482 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.885 4.968 -8.738 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.312 3.943 -9.023 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.976 1.307 -8.120 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.603 1.813 -7.607 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.365 1.429 -6.388 1.00 15.00 H new ATOM 476 N ASP A 260 5.159 3.116 -4.557 1.00 15.00 N ATOM 477 CA ASP A 260 6.432 3.110 -3.843 1.00 15.00 C ATOM 478 C ASP A 260 7.026 4.511 -3.752 1.00 15.00 C ATOM 479 O ASP A 260 7.395 5.126 -4.758 1.00 15.00 O ATOM 480 CB ASP A 260 7.412 2.180 -4.567 1.00 15.00 C ATOM 481 CG ASP A 260 8.749 2.013 -3.857 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.984 2.676 -2.825 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.575 1.208 -4.342 1.00 15.00 O ATOM 0 H ASP A 260 5.156 2.525 -5.388 1.00 15.00 H new ATOM 0 HA ASP A 260 6.255 2.754 -2.828 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.949 1.200 -4.682 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.591 2.568 -5.570 1.00 15.00 H new ATOM 488 N PRO A 261 7.092 5.029 -2.523 1.00 15.00 N ATOM 489 CA PRO A 261 7.593 6.362 -2.236 1.00 15.00 C ATOM 490 C PRO A 261 9.114 6.435 -2.202 1.00 15.00 C ATOM 491 O PRO A 261 9.685 7.520 -2.128 1.00 15.00 O ATOM 492 CB PRO A 261 7.006 6.664 -0.863 1.00 15.00 C ATOM 493 CG PRO A 261 6.834 5.341 -0.206 1.00 15.00 C ATOM 494 CD PRO A 261 6.670 4.325 -1.302 1.00 15.00 C ATOM 0 HA PRO A 261 7.307 7.076 -3.008 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.670 7.306 -0.285 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.053 7.186 -0.950 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.698 5.103 0.414 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.963 5.346 0.449 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.284 3.443 -1.120 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.637 3.985 -1.377 1.00 15.00 H new ATOM 502 N ARG A 262 9.771 5.282 -2.234 1.00 15.00 N ATOM 503 CA ARG A 262 11.225 5.236 -2.173 1.00 15.00 C ATOM 504 C ARG A 262 11.833 5.711 -3.498 1.00 15.00 C ATOM 505 O ARG A 262 13.035 5.949 -3.603 1.00 15.00 O ATOM 506 CB ARG A 262 11.691 3.823 -1.795 1.00 15.00 C ATOM 507 CG ARG A 262 13.202 3.670 -1.698 1.00 15.00 C ATOM 508 CD ARG A 262 13.593 2.309 -1.153 1.00 15.00 C ATOM 509 NE ARG A 262 15.040 2.127 -1.105 1.00 15.00 N ATOM 510 CZ ARG A 262 15.647 1.061 -0.585 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.936 0.059 -0.080 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.972 0.997 -0.578 1.00 15.00 N ATOM 0 H ARG A 262 9.321 4.369 -2.302 1.00 15.00 H new ATOM 0 HA ARG A 262 11.576 5.917 -1.397 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.247 3.550 -0.838 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.312 3.118 -2.535 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.646 3.809 -2.684 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.606 4.450 -1.053 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.180 2.189 -0.151 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.151 1.530 -1.775 1.00 15.00 H new ATOM 0 HE ARG A 262 15.626 2.865 -1.496 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.917 0.102 -0.088 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.409 -0.753 0.316 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.522 1.762 -0.970 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.441 0.183 -0.181 1.00 15.00 H new ATOM 526 N LEU A 263 10.979 5.864 -4.501 1.00 15.00 N ATOM 527 CA LEU A 263 11.382 6.417 -5.791 1.00 15.00 C ATOM 528 C LEU A 263 11.463 7.945 -5.743 1.00 15.00 C ATOM 529 O LEU A 263 11.932 8.572 -6.692 1.00 15.00 O ATOM 530 CB LEU A 263 10.411 5.992 -6.898 1.00 15.00 C ATOM 531 CG LEU A 263 10.681 4.624 -7.536 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.587 3.509 -6.509 1.00 15.00 C ATOM 533 CD2 LEU A 263 9.706 4.375 -8.674 1.00 15.00 C ATOM 0 H LEU A 263 9.993 5.611 -4.446 1.00 15.00 H new ATOM 0 HA LEU A 263 12.373 6.021 -6.014 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.401 5.987 -6.487 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.432 6.748 -7.683 1.00 15.00 H new ATOM 0 HG LEU A 263 11.696 4.631 -7.932 1.00 15.00 H new ATOM 0 HD11 LEU A 263 10.783 2.552 -6.992 1.00 15.00 H new ATOM 0 HD12 LEU A 263 11.323 3.676 -5.722 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.587 3.498 -6.075 1.00 15.00 H new ATOM 0 HD21 LEU A 263 9.908 3.401 -9.119 1.00 15.00 H new ATOM 0 HD22 LEU A 263 8.686 4.395 -8.290 1.00 15.00 H new ATOM 0 HD23 LEU A 263 9.824 5.151 -9.430 1.00 15.00 H new ATOM 545 N ASP A 264 10.975 8.532 -4.651 1.00 15.00 N ATOM 546 CA ASP A 264 10.897 9.995 -4.512 1.00 15.00 C ATOM 547 C ASP A 264 12.252 10.697 -4.701 1.00 15.00 C ATOM 548 O ASP A 264 12.331 11.677 -5.447 1.00 15.00 O ATOM 549 CB ASP A 264 10.285 10.388 -3.161 1.00 15.00 C ATOM 550 CG ASP A 264 10.266 11.889 -2.939 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.526 12.592 -3.662 1.00 15.00 O ATOM 552 OD2 ASP A 264 10.977 12.374 -2.033 1.00 15.00 O1- ATOM 0 H ASP A 264 10.625 8.018 -3.843 1.00 15.00 H new ATOM 0 HA ASP A 264 10.247 10.337 -5.317 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.267 10.004 -3.103 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.851 9.914 -2.359 1.00 15.00 H new ATOM 557 N PRO A 265 13.325 10.250 -4.006 1.00 15.00 N ATOM 558 CA PRO A 265 14.669 10.825 -4.163 1.00 15.00 C ATOM 559 C PRO A 265 15.139 10.835 -5.616 1.00 15.00 C ATOM 560 O PRO A 265 15.230 11.933 -6.206 1.00 15.00 O ATOM 561 CB PRO A 265 15.570 9.914 -3.313 1.00 15.00 C ATOM 562 CG PRO A 265 14.744 8.708 -3.010 1.00 15.00 C ATOM 563 CD PRO A 265 13.320 9.179 -3.001 1.00 15.00 C ATOM 564 OXT PRO A 265 15.411 9.747 -6.170 1.00 15.00 O ATOM 0 HA PRO A 265 14.691 11.869 -3.851 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.477 9.643 -3.854 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.883 10.416 -2.397 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.894 7.932 -3.761 1.00 15.00 H new ATOM 0 HG3 PRO A 265 15.019 8.277 -2.047 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.628 8.380 -3.265 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.022 9.547 -2.019 1.00 15.00 H new ATOM 573 N SER B 206 -5.767 10.875 -4.722 1.00 15.00 N ATOM 574 CA SER B 206 -6.769 9.803 -4.558 1.00 15.00 C ATOM 575 C SER B 206 -6.564 9.067 -3.237 1.00 15.00 C ATOM 576 O SER B 206 -5.497 8.504 -2.989 1.00 15.00 O ATOM 577 CB SER B 206 -6.682 8.834 -5.740 1.00 15.00 C ATOM 578 OG SER B 206 -5.332 8.524 -6.053 1.00 15.00 O ATOM 0 HA SER B 206 -7.764 10.248 -4.538 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.222 7.918 -5.503 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.168 9.274 -6.611 1.00 15.00 H new ATOM 0 HG SER B 206 -4.745 9.224 -5.698 1.00 15.00 H new ATOM 586 N PRO B 207 -7.579 9.079 -2.360 1.00 15.00 N ATOM 587 CA PRO B 207 -7.518 8.408 -1.060 1.00 15.00 C ATOM 588 C PRO B 207 -7.529 6.885 -1.195 1.00 15.00 C ATOM 589 O PRO B 207 -8.433 6.316 -1.809 1.00 15.00 O ATOM 590 CB PRO B 207 -8.784 8.888 -0.331 1.00 15.00 C ATOM 591 CG PRO B 207 -9.319 10.014 -1.151 1.00 15.00 C ATOM 592 CD PRO B 207 -8.867 9.753 -2.557 1.00 15.00 C ATOM 0 HA PRO B 207 -6.596 8.646 -0.529 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.515 8.084 -0.245 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.552 9.217 0.682 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.407 10.057 -1.092 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.942 10.972 -0.792 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.574 9.126 -3.100 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.758 10.676 -3.126 1.00 15.00 H new ATOM 600 N PRO B 208 -6.511 6.215 -0.642 1.00 15.00 N ATOM 601 CA PRO B 208 -6.416 4.755 -0.649 1.00 15.00 C ATOM 602 C PRO B 208 -7.354 4.116 0.375 1.00 15.00 C ATOM 603 O PRO B 208 -7.616 4.691 1.434 1.00 15.00 O ATOM 604 CB PRO B 208 -4.946 4.490 -0.269 1.00 15.00 C ATOM 605 CG PRO B 208 -4.276 5.826 -0.297 1.00 15.00 C ATOM 606 CD PRO B 208 -5.352 6.812 0.023 1.00 15.00 C ATOM 0 HA PRO B 208 -6.703 4.329 -1.610 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.872 4.035 0.719 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.477 3.802 -0.972 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.467 5.876 0.432 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.837 6.026 -1.275 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.505 6.916 1.097 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.125 7.805 -0.364 1.00 15.00 H new ATOM 614 N PRO B 209 -7.858 2.912 0.066 1.00 15.00 N ATOM 615 CA PRO B 209 -8.739 2.142 0.959 1.00 15.00 C ATOM 616 C PRO B 209 -8.151 1.956 2.362 1.00 15.00 C ATOM 617 O PRO B 209 -6.929 1.910 2.534 1.00 15.00 O ATOM 618 CB PRO B 209 -8.859 0.779 0.257 1.00 15.00 C ATOM 619 CG PRO B 209 -7.800 0.772 -0.793 1.00 15.00 C ATOM 620 CD PRO B 209 -7.622 2.201 -1.193 1.00 15.00 C ATOM 0 HA PRO B 209 -9.690 2.652 1.114 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.716 -0.039 0.963 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.848 0.651 -0.183 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.870 0.354 -0.409 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.097 0.160 -1.645 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.623 2.391 -1.586 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.331 2.498 -1.966 1.00 15.00 H new ATOM 628 N PRO B 210 -9.029 1.832 3.375 1.00 15.00 N ATOM 629 CA PRO B 210 -8.626 1.620 4.770 1.00 15.00 C ATOM 630 C PRO B 210 -7.692 0.423 4.932 1.00 15.00 C ATOM 631 O PRO B 210 -7.982 -0.676 4.462 1.00 15.00 O ATOM 632 CB PRO B 210 -9.952 1.369 5.506 1.00 15.00 C ATOM 633 CG PRO B 210 -10.963 1.119 4.437 1.00 15.00 C ATOM 634 CD PRO B 210 -10.490 1.884 3.238 1.00 15.00 C ATOM 0 HA PRO B 210 -8.068 2.472 5.158 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.872 0.514 6.177 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.231 2.228 6.116 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.042 0.055 4.215 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.952 1.454 4.749 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.826 1.426 2.308 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.860 2.909 3.240 1.00 15.00 H new ATOM 642 N TYR B 211 -6.584 0.656 5.622 1.00 15.00 N ATOM 643 CA TYR B 211 -5.544 -0.352 5.836 1.00 15.00 C ATOM 644 C TYR B 211 -6.039 -1.530 6.692 1.00 15.00 C ATOM 645 O TYR B 211 -5.365 -2.556 6.801 1.00 15.00 O ATOM 646 CB TYR B 211 -4.320 0.344 6.464 1.00 15.00 C ATOM 647 CG TYR B 211 -3.409 -0.538 7.288 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.576 -1.480 6.699 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.381 -0.412 8.668 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.745 -2.274 7.467 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.555 -1.197 9.442 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.739 -2.125 8.839 1.00 15.00 C ATOM 653 OH TYR B 211 -0.913 -2.910 9.607 1.00 15.00 O ATOM 0 H TYR B 211 -6.376 1.556 6.054 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.265 -0.790 4.878 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.732 0.794 5.664 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.674 1.159 7.096 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.577 -1.594 5.625 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.020 0.316 9.146 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.105 -3.006 6.997 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.548 -1.084 10.516 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.462 -3.567 9.036 1.00 15.00 H new ATOM 663 N SER B 212 -7.223 -1.393 7.275 1.00 15.00 N ATOM 664 CA SER B 212 -7.751 -2.410 8.174 1.00 15.00 C ATOM 665 C SER B 212 -7.911 -3.766 7.477 1.00 15.00 C ATOM 666 O SER B 212 -7.643 -4.813 8.078 1.00 15.00 O ATOM 667 CB SER B 212 -9.087 -1.951 8.751 1.00 15.00 C ATOM 668 OG SER B 212 -8.953 -0.690 9.380 1.00 15.00 O ATOM 0 H SER B 212 -7.835 -0.588 7.141 1.00 15.00 H new ATOM 0 HA SER B 212 -7.032 -2.543 8.982 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.830 -1.889 7.956 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.450 -2.685 9.470 1.00 15.00 H new ATOM 0 HG SER B 212 -9.820 -0.411 9.742 1.00 15.00 H new ATOM 674 N ARG B 213 -8.378 -3.760 6.234 1.00 15.00 N ATOM 675 CA ARG B 213 -8.480 -4.994 5.468 1.00 15.00 C ATOM 676 C ARG B 213 -8.317 -4.735 3.977 1.00 15.00 C ATOM 677 O ARG B 213 -8.408 -3.597 3.525 1.00 15.00 O ATOM 678 CB ARG B 213 -9.787 -5.730 5.721 1.00 15.00 C ATOM 679 CG ARG B 213 -9.615 -7.229 5.562 1.00 15.00 C ATOM 680 CD ARG B 213 -9.103 -7.862 6.842 1.00 15.00 C ATOM 681 NE ARG B 213 -10.171 -8.053 7.819 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.111 -7.665 9.089 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.089 -6.939 9.524 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.095 -7.986 9.918 1.00 15.00 N ATOM 0 H ARG B 213 -8.689 -2.923 5.740 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.665 -5.632 5.811 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.143 -5.507 6.727 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.548 -5.373 5.027 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.568 -7.680 5.287 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.919 -7.433 4.749 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.644 -8.824 6.613 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.325 -7.232 7.273 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.023 -8.517 7.505 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.342 -6.674 8.882 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.051 -6.645 10.500 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.891 -8.527 9.580 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.056 -7.692 10.894 1.00 15.00 H new ATOM 698 N TYR B 214 -8.091 -5.806 3.222 1.00 15.00 N ATOM 699 CA TYR B 214 -7.771 -5.702 1.807 1.00 15.00 C ATOM 700 C TYR B 214 -9.040 -5.728 0.968 1.00 15.00 C ATOM 701 O TYR B 214 -9.754 -6.733 0.951 1.00 15.00 O ATOM 702 CB TYR B 214 -6.875 -6.868 1.353 1.00 15.00 C ATOM 703 CG TYR B 214 -5.719 -7.198 2.278 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.363 -6.351 3.313 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.993 -8.371 2.113 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.325 -6.652 4.158 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.944 -8.684 2.956 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.615 -7.820 3.978 1.00 15.00 C ATOM 709 OH TYR B 214 -2.565 -8.125 4.811 1.00 15.00 O ATOM 0 H TYR B 214 -8.125 -6.763 3.573 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.245 -4.758 1.666 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.494 -7.758 1.241 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.474 -6.633 0.367 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -5.914 -5.434 3.459 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.253 -9.049 1.313 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.065 -5.977 4.960 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.386 -9.598 2.815 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.176 -8.984 4.545 1.00 15.00 H new ATOM 719 N PRO B 215 -9.353 -4.622 0.288 1.00 15.00 N ATOM 720 CA PRO B 215 -10.432 -4.591 -0.691 1.00 15.00 C ATOM 721 C PRO B 215 -10.048 -5.367 -1.947 1.00 15.00 C ATOM 722 O PRO B 215 -9.255 -4.898 -2.764 1.00 15.00 O ATOM 723 CB PRO B 215 -10.598 -3.102 -0.998 1.00 15.00 C ATOM 724 CG PRO B 215 -9.260 -2.514 -0.710 1.00 15.00 C ATOM 725 CD PRO B 215 -8.693 -3.315 0.429 1.00 15.00 C ATOM 0 HA PRO B 215 -11.350 -5.052 -0.325 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.888 -2.940 -2.036 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.372 -2.652 -0.377 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.613 -2.568 -1.586 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.346 -1.461 -0.442 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.609 -3.403 0.358 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.913 -2.855 1.392 1.00 15.00 H new