USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 318 HIS : +bothHN:sc= -2.57! C(o=-3.5!,f=-15!) USER MOD Set 1.2: B 211 TYR OH : rot -168:sc= -0.929! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 320 ASN : amide:sc= 1.16 K(o=2.2,f=1.1) USER MOD Set 2.2: A 322 THR OG1 : rot -120:sc= 0.997 USER MOD Single : A 307 ASN : amide:sc= -0.884 K(o=-0.88,f=-4.9!) USER MOD Single : A 308 THR OG1 : rot -73:sc= 0.534 USER MOD Single : A 310 THR OG1 : rot 110:sc= 0.87 USER MOD Single : A 314 TYR OH : rot 152:sc= 0.2 USER MOD Single : A 319 ASN : amide:sc= -0.0059 X(o=-0.0059,f=-0.18) USER MOD Single : A 323 THR OG1 : rot -160:sc= -2.11! USER MOD Single : A 324 GLN :FLIP amide:sc= -1.05 F(o=-5.4!,f=-1) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 5.559 6.172 10.392 1.00 15.00 N ATOM 25 CA LEU A 299 5.430 5.783 8.998 1.00 15.00 C ATOM 26 C LEU A 299 6.446 6.567 8.184 1.00 15.00 C ATOM 27 O LEU A 299 6.691 7.737 8.482 1.00 15.00 O ATOM 28 CB LEU A 299 4.015 6.101 8.506 1.00 15.00 C ATOM 29 CG LEU A 299 3.682 5.615 7.093 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.296 4.142 7.107 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.571 6.461 6.495 1.00 15.00 C ATOM 0 HA LEU A 299 5.610 4.714 8.887 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.300 5.660 9.201 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.871 7.181 8.543 1.00 15.00 H new ATOM 0 HG LEU A 299 4.570 5.723 6.470 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.063 3.817 6.093 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.126 3.552 7.496 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.422 4.001 7.743 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.344 6.105 5.490 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.680 6.384 7.118 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.892 7.502 6.448 1.00 15.00 H new ATOM 43 N PRO A 300 7.064 5.965 7.155 1.00 15.00 N ATOM 44 CA PRO A 300 8.009 6.687 6.301 1.00 15.00 C ATOM 45 C PRO A 300 7.296 7.770 5.486 1.00 15.00 C ATOM 46 O PRO A 300 6.301 7.492 4.823 1.00 15.00 O ATOM 47 CB PRO A 300 8.580 5.600 5.380 1.00 15.00 C ATOM 48 CG PRO A 300 8.186 4.301 6.005 1.00 15.00 C ATOM 49 CD PRO A 300 6.892 4.567 6.713 1.00 15.00 C ATOM 0 HA PRO A 300 8.780 7.203 6.874 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.177 5.689 4.371 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.664 5.684 5.299 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.067 3.524 5.250 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.949 3.954 6.702 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.034 4.451 6.051 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.740 3.889 7.553 1.00 15.00 H new ATOM 57 N PRO A 301 7.798 9.017 5.523 1.00 15.00 N ATOM 58 CA PRO A 301 7.145 10.173 4.877 1.00 15.00 C ATOM 59 C PRO A 301 7.038 10.057 3.352 1.00 15.00 C ATOM 60 O PRO A 301 6.341 10.844 2.710 1.00 15.00 O ATOM 61 CB PRO A 301 8.041 11.359 5.255 1.00 15.00 C ATOM 62 CG PRO A 301 8.838 10.888 6.423 1.00 15.00 C ATOM 63 CD PRO A 301 9.030 9.413 6.221 1.00 15.00 C ATOM 0 HA PRO A 301 6.112 10.265 5.212 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.688 11.644 4.426 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.447 12.236 5.511 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.797 11.403 6.475 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.317 11.090 7.359 1.00 15.00 H new ATOM 0 HD2 PRO A 301 9.918 9.198 5.627 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.145 8.887 7.168 1.00 15.00 H new ATOM 71 N GLY A 302 7.757 9.105 2.777 1.00 15.00 N ATOM 72 CA GLY A 302 7.656 8.851 1.349 1.00 15.00 C ATOM 73 C GLY A 302 6.632 7.776 1.044 1.00 15.00 C ATOM 74 O GLY A 302 6.202 7.605 -0.102 1.00 15.00 O ATOM 0 H GLY A 302 8.412 8.500 3.273 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.382 9.772 0.834 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.629 8.547 0.963 1.00 15.00 H new ATOM 78 N TRP A 303 6.246 7.054 2.085 1.00 15.00 N ATOM 79 CA TRP A 303 5.347 5.920 1.970 1.00 15.00 C ATOM 80 C TRP A 303 3.911 6.320 2.246 1.00 15.00 C ATOM 81 O TRP A 303 3.650 7.225 3.042 1.00 15.00 O ATOM 82 CB TRP A 303 5.752 4.839 2.951 1.00 15.00 C ATOM 83 CG TRP A 303 6.798 3.930 2.421 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.139 4.175 2.324 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.587 2.620 1.906 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.773 3.080 1.804 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.835 2.119 1.538 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.461 1.811 1.725 1.00 15.00 C ATOM 89 CZ2 TRP A 303 7.987 0.858 1.012 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.626 0.557 1.199 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.879 0.088 0.848 1.00 15.00 C ATOM 0 H TRP A 303 6.551 7.242 3.040 1.00 15.00 H new ATOM 0 HA TRP A 303 5.415 5.547 0.948 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.116 5.306 3.866 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.873 4.253 3.219 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.625 5.095 2.614 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.776 2.994 1.642 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.478 2.169 1.995 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 8.963 0.488 0.736 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.763 -0.076 1.056 1.00 15.00 H new ATOM 0 HH2 TRP A 303 6.979 -0.906 0.437 1.00 15.00 H new ATOM 102 N GLU A 304 2.978 5.621 1.620 1.00 15.00 N ATOM 103 CA GLU A 304 1.558 5.948 1.791 1.00 15.00 C ATOM 104 C GLU A 304 0.750 4.707 2.163 1.00 15.00 C ATOM 105 O GLU A 304 0.597 3.801 1.365 1.00 15.00 O ATOM 106 CB GLU A 304 1.024 6.604 0.515 1.00 15.00 C ATOM 107 CG GLU A 304 1.547 8.011 0.299 1.00 15.00 C ATOM 108 CD GLU A 304 0.786 9.058 1.088 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.484 8.818 2.275 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.485 10.132 0.519 1.00 15.00 O ATOM 0 H GLU A 304 3.166 4.835 0.997 1.00 15.00 H new ATOM 0 HA GLU A 304 1.453 6.655 2.614 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.295 5.988 -0.342 1.00 15.00 H new ATOM 0 HB3 GLU A 304 -0.065 6.631 0.557 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.600 8.048 0.580 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.492 8.254 -0.762 1.00 15.00 H new ATOM 117 N ILE A 305 0.231 4.669 3.380 1.00 15.00 N ATOM 118 CA ILE A 305 -0.416 3.462 3.890 1.00 15.00 C ATOM 119 C ILE A 305 -1.939 3.525 3.755 1.00 15.00 C ATOM 120 O ILE A 305 -2.581 4.431 4.285 1.00 15.00 O ATOM 121 CB ILE A 305 -0.032 3.208 5.372 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.773 1.988 5.928 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.318 4.438 6.228 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.333 1.600 7.326 1.00 15.00 C ATOM 0 H ILE A 305 0.243 5.453 4.033 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.057 2.633 3.280 1.00 15.00 H new ATOM 0 HB ILE A 305 1.038 3.006 5.408 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.843 2.195 5.937 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.618 1.142 5.259 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.040 4.234 7.262 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.262 5.283 5.856 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.380 4.677 6.178 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.899 0.729 7.657 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.730 1.361 7.320 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.514 2.431 8.008 1.00 15.00 H new ATOM 136 N ARG A 306 -2.520 2.567 3.030 1.00 15.00 N ATOM 137 CA ARG A 306 -3.973 2.460 2.940 1.00 15.00 C ATOM 138 C ARG A 306 -4.416 1.006 2.969 1.00 15.00 C ATOM 139 O ARG A 306 -3.790 0.133 2.366 1.00 15.00 O ATOM 140 CB ARG A 306 -4.523 3.147 1.685 1.00 15.00 C ATOM 141 CG ARG A 306 -4.252 4.636 1.655 1.00 15.00 C ATOM 142 CD ARG A 306 -5.328 5.388 0.907 1.00 15.00 C ATOM 143 NE ARG A 306 -5.311 6.806 1.252 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.319 7.637 1.029 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.426 7.210 0.439 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -6.222 8.898 1.417 1.00 15.00 N ATOM 0 H ARG A 306 -2.009 1.860 2.501 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.380 2.973 3.811 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.080 2.686 0.802 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.598 2.978 1.628 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.187 5.014 2.675 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.286 4.820 1.185 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.180 5.269 -0.166 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -6.304 4.964 1.143 1.00 15.00 H new ATOM 0 HE ARG A 306 -4.471 7.181 1.692 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.507 6.234 0.152 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.197 7.857 0.271 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -5.376 9.224 1.884 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -6.993 9.544 1.249 1.00 15.00 H new ATOM 160 N ASN A 307 -5.516 0.761 3.659 1.00 15.00 N ATOM 161 CA ASN A 307 -6.053 -0.580 3.806 1.00 15.00 C ATOM 162 C ASN A 307 -7.330 -0.727 2.968 1.00 15.00 C ATOM 163 O ASN A 307 -8.185 0.162 2.976 1.00 15.00 O ATOM 164 CB ASN A 307 -6.362 -0.840 5.286 1.00 15.00 C ATOM 165 CG ASN A 307 -6.537 -2.311 5.627 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.994 -3.111 4.816 1.00 15.00 O ATOM 167 ND2 ASN A 307 -6.159 -2.675 6.843 1.00 15.00 N ATOM 0 H ASN A 307 -6.060 1.483 4.131 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.320 -1.307 3.456 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.556 -0.429 5.893 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -7.271 -0.303 5.558 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.243 -3.649 7.133 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.784 -1.981 7.489 1.00 15.00 H new ATOM 174 N THR A 308 -7.470 -1.844 2.262 1.00 15.00 N ATOM 175 CA THR A 308 -8.667 -2.111 1.486 1.00 15.00 C ATOM 176 C THR A 308 -9.671 -2.846 2.363 1.00 15.00 C ATOM 177 O THR A 308 -9.269 -3.656 3.204 1.00 15.00 O ATOM 178 CB THR A 308 -8.349 -2.978 0.247 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.999 -3.453 0.316 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.556 -2.209 -1.048 1.00 15.00 C ATOM 0 H THR A 308 -6.764 -2.579 2.214 1.00 15.00 H new ATOM 0 HA THR A 308 -9.077 -1.161 1.144 1.00 15.00 H new ATOM 0 HB THR A 308 -9.038 -3.822 0.249 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.382 -2.713 0.135 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.322 -2.854 -1.895 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.594 -1.883 -1.116 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.901 -1.338 -1.063 1.00 15.00 H new ATOM 188 N ALA A 309 -10.962 -2.583 2.155 1.00 15.00 N ATOM 189 CA ALA A 309 -12.025 -3.172 2.980 1.00 15.00 C ATOM 190 C ALA A 309 -12.015 -4.701 2.914 1.00 15.00 C ATOM 191 O ALA A 309 -12.616 -5.377 3.751 1.00 15.00 O ATOM 192 CB ALA A 309 -13.381 -2.632 2.551 1.00 15.00 C ATOM 0 H ALA A 309 -11.301 -1.963 1.419 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.837 -2.888 4.015 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -14.161 -3.075 3.169 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.395 -1.549 2.670 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.559 -2.884 1.506 1.00 15.00 H new ATOM 198 N THR A 310 -11.328 -5.234 1.915 1.00 15.00 N ATOM 199 CA THR A 310 -11.130 -6.669 1.785 1.00 15.00 C ATOM 200 C THR A 310 -10.221 -7.198 2.905 1.00 15.00 C ATOM 201 O THR A 310 -10.201 -8.396 3.189 1.00 15.00 O ATOM 202 CB THR A 310 -10.531 -7.006 0.398 1.00 15.00 C ATOM 203 OG1 THR A 310 -10.301 -8.416 0.263 1.00 15.00 O ATOM 204 CG2 THR A 310 -9.229 -6.251 0.172 1.00 15.00 C ATOM 0 H THR A 310 -10.893 -4.685 1.173 1.00 15.00 H new ATOM 0 HA THR A 310 -12.100 -7.158 1.874 1.00 15.00 H new ATOM 0 HB THR A 310 -11.256 -6.696 -0.355 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.938 -8.791 -0.380 1.00 15.00 H new ATOM 0 HG21 THR A 310 -8.827 -6.504 -0.809 1.00 15.00 H new ATOM 0 HG22 THR A 310 -9.417 -5.178 0.221 1.00 15.00 H new ATOM 0 HG23 THR A 310 -8.509 -6.529 0.942 1.00 15.00 H new ATOM 212 N GLY A 311 -9.479 -6.296 3.545 1.00 15.00 N ATOM 213 CA GLY A 311 -8.633 -6.674 4.663 1.00 15.00 C ATOM 214 C GLY A 311 -7.173 -6.827 4.272 1.00 15.00 C ATOM 215 O GLY A 311 -6.512 -7.774 4.696 1.00 15.00 O ATOM 0 H GLY A 311 -9.450 -5.305 3.306 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.717 -5.921 5.447 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.992 -7.614 5.083 1.00 15.00 H new ATOM 219 N ARG A 312 -6.659 -5.895 3.476 1.00 15.00 N ATOM 220 CA ARG A 312 -5.266 -5.967 3.019 1.00 15.00 C ATOM 221 C ARG A 312 -4.664 -4.565 2.930 1.00 15.00 C ATOM 222 O ARG A 312 -5.341 -3.629 2.513 1.00 15.00 O ATOM 223 CB ARG A 312 -5.178 -6.649 1.650 1.00 15.00 C ATOM 224 CG ARG A 312 -5.556 -8.120 1.640 1.00 15.00 C ATOM 225 CD ARG A 312 -5.615 -8.651 0.220 1.00 15.00 C ATOM 226 NE ARG A 312 -6.982 -8.665 -0.300 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.299 -8.633 -1.597 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.349 -8.551 -2.521 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.575 -8.684 -1.961 1.00 15.00 N ATOM 0 H ARG A 312 -7.177 -5.086 3.134 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.703 -6.556 3.743 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.827 -6.118 0.954 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.159 -6.549 1.276 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -4.828 -8.691 2.217 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.523 -8.255 2.124 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.988 -8.035 -0.424 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -5.206 -9.661 0.193 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.746 -8.702 0.375 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.369 -8.512 -2.242 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.600 -8.527 -3.509 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -9.305 -8.747 -1.252 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.825 -8.660 -2.950 1.00 15.00 H new ATOM 243 N VAL A 313 -3.388 -4.421 3.271 1.00 15.00 N ATOM 244 CA VAL A 313 -2.791 -3.094 3.370 1.00 15.00 C ATOM 245 C VAL A 313 -1.777 -2.822 2.250 1.00 15.00 C ATOM 246 O VAL A 313 -0.613 -3.173 2.345 1.00 15.00 O ATOM 247 CB VAL A 313 -2.111 -2.878 4.738 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.868 -1.396 4.981 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.947 -3.471 5.861 1.00 15.00 C ATOM 0 H VAL A 313 -2.756 -5.193 3.481 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.615 -2.388 3.264 1.00 15.00 H new ATOM 0 HB VAL A 313 -1.150 -3.392 4.724 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.388 -1.260 5.950 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.222 -1.000 4.197 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.820 -0.865 4.970 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.445 -3.305 6.814 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.926 -2.992 5.878 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -3.070 -4.542 5.697 1.00 15.00 H new ATOM 259 N TYR A 314 -2.243 -2.155 1.210 1.00 15.00 N ATOM 260 CA TYR A 314 -1.428 -1.735 0.099 1.00 15.00 C ATOM 261 C TYR A 314 -0.849 -0.352 0.376 1.00 15.00 C ATOM 262 O TYR A 314 -1.572 0.636 0.518 1.00 15.00 O ATOM 263 CB TYR A 314 -2.285 -1.691 -1.187 1.00 15.00 C ATOM 264 CG TYR A 314 -3.501 -0.773 -1.093 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.612 -1.141 -0.345 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.530 0.468 -1.733 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.705 -0.310 -0.230 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.627 1.309 -1.620 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.708 0.912 -0.860 1.00 15.00 C ATOM 270 OH TYR A 314 -6.809 1.726 -0.746 1.00 15.00 O ATOM 0 H TYR A 314 -3.223 -1.887 1.118 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.612 -2.445 -0.035 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.659 -1.364 -2.017 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.622 -2.701 -1.421 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.619 -2.098 0.156 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.683 0.778 -2.327 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.559 -0.618 0.355 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.635 2.265 -2.122 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.534 2.663 -0.834 1.00 15.00 H new ATOM 280 N PHE A 315 0.454 -0.299 0.505 1.00 15.00 N ATOM 281 CA PHE A 315 1.146 0.960 0.651 1.00 15.00 C ATOM 282 C PHE A 315 1.522 1.469 -0.719 1.00 15.00 C ATOM 283 O PHE A 315 2.296 0.838 -1.419 1.00 15.00 O ATOM 284 CB PHE A 315 2.423 0.805 1.471 1.00 15.00 C ATOM 285 CG PHE A 315 2.240 0.360 2.891 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.558 -0.802 3.190 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.790 1.096 3.928 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.423 -1.222 4.492 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.665 0.674 5.234 1.00 15.00 C ATOM 290 CZ PHE A 315 1.980 -0.489 5.514 1.00 15.00 C ATOM 0 H PHE A 315 1.061 -1.119 0.512 1.00 15.00 H new ATOM 0 HA PHE A 315 0.483 1.655 1.166 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.071 0.088 0.967 1.00 15.00 H new ATOM 0 HB3 PHE A 315 2.947 1.761 1.475 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.126 -1.388 2.392 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.322 2.010 3.711 1.00 15.00 H new ATOM 0 HE1 PHE A 315 0.879 -2.129 4.713 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.102 1.252 6.035 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.881 -0.825 6.536 1.00 15.00 H new ATOM 300 N VAL A 316 0.999 2.599 -1.107 1.00 15.00 N ATOM 301 CA VAL A 316 1.370 3.155 -2.371 1.00 15.00 C ATOM 302 C VAL A 316 2.587 4.060 -2.177 1.00 15.00 C ATOM 303 O VAL A 316 2.558 4.994 -1.377 1.00 15.00 O ATOM 304 CB VAL A 316 0.205 3.921 -3.041 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.864 2.951 -3.514 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.416 4.946 -2.112 1.00 15.00 C ATOM 0 H VAL A 316 0.323 3.144 -0.572 1.00 15.00 H new ATOM 0 HA VAL A 316 1.623 2.338 -3.047 1.00 15.00 H new ATOM 0 HB VAL A 316 0.624 4.453 -3.895 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.677 3.506 -3.983 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.433 2.258 -4.237 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.251 2.392 -2.662 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.229 5.458 -2.627 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.806 4.445 -1.226 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.340 5.673 -1.815 1.00 15.00 H new ATOM 316 N ASP A 317 3.688 3.754 -2.856 1.00 15.00 N ATOM 317 CA ASP A 317 4.888 4.539 -2.698 1.00 15.00 C ATOM 318 C ASP A 317 4.840 5.651 -3.714 1.00 15.00 C ATOM 319 O ASP A 317 4.731 5.382 -4.916 1.00 15.00 O ATOM 320 CB ASP A 317 6.163 3.728 -2.971 1.00 15.00 C ATOM 321 CG ASP A 317 6.061 2.256 -2.657 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.363 1.540 -3.398 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 6.732 1.809 -1.708 1.00 15.00 O ATOM 0 H ASP A 317 3.766 2.976 -3.511 1.00 15.00 H new ATOM 0 HA ASP A 317 4.924 4.897 -1.669 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.431 3.843 -4.021 1.00 15.00 H new ATOM 0 HB3 ASP A 317 6.979 4.153 -2.386 1.00 15.00 H new ATOM 328 N HIS A 318 4.900 6.893 -3.251 1.00 15.00 N ATOM 329 CA HIS A 318 4.985 8.028 -4.161 1.00 15.00 C ATOM 330 C HIS A 318 6.362 8.038 -4.812 1.00 15.00 C ATOM 331 O HIS A 318 6.596 8.732 -5.799 1.00 15.00 O ATOM 332 CB HIS A 318 4.727 9.357 -3.438 1.00 15.00 C ATOM 333 CG HIS A 318 3.317 9.551 -2.953 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.242 8.786 -3.368 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.812 10.448 -2.074 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.149 9.209 -2.765 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.462 10.216 -1.969 1.00 15.00 N ATOM 0 H HIS A 318 4.892 7.139 -2.261 1.00 15.00 H new ATOM 0 HA HIS A 318 4.213 7.921 -4.923 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.402 9.427 -2.585 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.980 10.175 -4.112 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.288 8.016 -4.035 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.370 11.209 -1.549 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.159 8.799 -2.900 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.812 10.733 -1.377 1.00 15.00 H new ATOM 346 N ASN A 319 7.266 7.260 -4.221 1.00 15.00 N ATOM 347 CA ASN A 319 8.624 7.094 -4.726 1.00 15.00 C ATOM 348 C ASN A 319 8.613 6.389 -6.080 1.00 15.00 C ATOM 349 O ASN A 319 8.980 6.966 -7.100 1.00 15.00 O ATOM 350 CB ASN A 319 9.459 6.262 -3.737 1.00 15.00 C ATOM 351 CG ASN A 319 9.470 6.830 -2.331 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.432 8.044 -2.130 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.505 5.949 -1.342 1.00 15.00 N ATOM 0 H ASN A 319 7.075 6.725 -3.374 1.00 15.00 H new ATOM 0 HA ASN A 319 9.065 8.084 -4.840 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.067 5.246 -3.707 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.484 6.197 -4.103 1.00 15.00 H new ATOM 0 HD21 ASN A 319 9.501 6.269 -0.374 1.00 15.00 H new ATOM 0 HD22 ASN A 319 9.536 4.951 -1.549 1.00 15.00 H new ATOM 360 N ASN A 320 8.166 5.140 -6.081 1.00 15.00 N ATOM 361 CA ASN A 320 8.216 4.305 -7.276 1.00 15.00 C ATOM 362 C ASN A 320 6.897 4.366 -8.042 1.00 15.00 C ATOM 363 O ASN A 320 6.816 3.923 -9.189 1.00 15.00 O ATOM 364 CB ASN A 320 8.566 2.860 -6.899 1.00 15.00 C ATOM 365 CG ASN A 320 9.123 2.071 -8.069 1.00 15.00 C ATOM 366 OD1 ASN A 320 10.309 2.165 -8.379 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.289 1.263 -8.705 1.00 15.00 N ATOM 0 H ASN A 320 7.763 4.680 -5.264 1.00 15.00 H new ATOM 0 HA ASN A 320 8.997 4.689 -7.932 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.296 2.866 -6.089 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.674 2.361 -6.521 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.624 0.692 -9.481 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.311 1.212 -8.419 1.00 15.00 H new ATOM 374 N ARG A 321 5.859 4.887 -7.377 1.00 15.00 N ATOM 375 CA ARG A 321 4.520 5.024 -7.960 1.00 15.00 C ATOM 376 C ARG A 321 3.873 3.652 -8.089 1.00 15.00 C ATOM 377 O ARG A 321 3.246 3.324 -9.097 1.00 15.00 O ATOM 378 CB ARG A 321 4.582 5.739 -9.318 1.00 15.00 C ATOM 379 CG ARG A 321 5.330 7.065 -9.263 1.00 15.00 C ATOM 380 CD ARG A 321 5.458 7.699 -10.636 1.00 15.00 C ATOM 381 NE ARG A 321 6.336 8.868 -10.610 1.00 15.00 N ATOM 382 CZ ARG A 321 6.021 10.051 -11.135 1.00 15.00 C ATOM 383 NH1 ARG A 321 4.820 10.246 -11.665 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 6.902 11.045 -11.104 1.00 15.00 N ATOM 0 H ARG A 321 5.925 5.226 -6.417 1.00 15.00 H new ATOM 0 HA ARG A 321 3.908 5.637 -7.298 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.066 5.086 -10.044 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.567 5.916 -9.675 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.808 7.749 -8.594 1.00 15.00 H new ATOM 0 HG3 ARG A 321 6.323 6.905 -8.843 1.00 15.00 H new ATOM 0 HD2 ARG A 321 5.849 6.965 -11.341 1.00 15.00 H new ATOM 0 HD3 ARG A 321 4.472 7.992 -10.995 1.00 15.00 H new ATOM 0 HE ARG A 321 7.247 8.772 -10.162 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.136 9.489 -11.671 1.00 15.00 H new ATOM 0 HH12 ARG A 321 4.581 11.153 -12.066 1.00 15.00 H new ATOM 0 HH21 ARG A 321 7.818 10.902 -10.679 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.662 11.952 -11.506 1.00 15.00 H new ATOM 398 N THR A 322 4.013 2.869 -7.032 1.00 15.00 N ATOM 399 CA THR A 322 3.546 1.487 -7.020 1.00 15.00 C ATOM 400 C THR A 322 2.704 1.216 -5.773 1.00 15.00 C ATOM 401 O THR A 322 2.893 1.871 -4.757 1.00 15.00 O ATOM 402 CB THR A 322 4.750 0.527 -7.075 1.00 15.00 C ATOM 403 OG1 THR A 322 5.620 0.934 -8.143 1.00 15.00 O ATOM 404 CG2 THR A 322 4.307 -0.913 -7.302 1.00 15.00 C ATOM 0 H THR A 322 4.451 3.169 -6.161 1.00 15.00 H new ATOM 0 HA THR A 322 2.920 1.320 -7.897 1.00 15.00 H new ATOM 0 HB THR A 322 5.271 0.570 -6.118 1.00 15.00 H new ATOM 0 HG1 THR A 322 5.705 0.204 -8.792 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.182 -1.562 -7.335 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.654 -1.226 -6.487 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.767 -0.983 -8.246 1.00 15.00 H new ATOM 412 N THR A 323 1.743 0.302 -5.860 1.00 15.00 N ATOM 413 CA THR A 323 0.970 -0.074 -4.689 1.00 15.00 C ATOM 414 C THR A 323 1.495 -1.388 -4.111 1.00 15.00 C ATOM 415 O THR A 323 1.853 -2.305 -4.853 1.00 15.00 O ATOM 416 CB THR A 323 -0.537 -0.179 -4.993 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.274 -0.340 -3.779 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.844 -1.336 -5.918 1.00 15.00 C ATOM 0 H THR A 323 1.485 -0.185 -6.719 1.00 15.00 H new ATOM 0 HA THR A 323 1.091 0.717 -3.949 1.00 15.00 H new ATOM 0 HB THR A 323 -0.833 0.745 -5.490 1.00 15.00 H new ATOM 0 HG1 THR A 323 -2.156 -0.716 -3.979 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.917 -1.376 -6.108 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.314 -1.199 -6.860 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.523 -2.268 -5.453 1.00 15.00 H new ATOM 426 N GLN A 324 1.552 -1.474 -2.789 1.00 15.00 N ATOM 427 CA GLN A 324 2.250 -2.564 -2.133 1.00 15.00 C ATOM 428 C GLN A 324 1.363 -3.343 -1.162 1.00 15.00 C ATOM 429 O GLN A 324 1.193 -2.938 -0.022 1.00 15.00 O ATOM 430 CB GLN A 324 3.466 -2.026 -1.359 1.00 15.00 C ATOM 431 CG GLN A 324 4.474 -1.218 -2.177 1.00 15.00 C ATOM 432 CD GLN A 324 5.200 -2.009 -3.261 1.00 15.00 C ATOM 433 OE1 GLN A 324 4.481 -2.838 -4.004 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 6.397 -1.822 -3.480 1.00 15.00 N flip ATOM 0 H GLN A 324 1.123 -0.802 -2.153 1.00 15.00 H new ATOM 0 HA GLN A 324 2.562 -3.246 -2.924 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.105 -1.400 -0.543 1.00 15.00 H new ATOM 0 HB3 GLN A 324 3.987 -2.870 -0.907 1.00 15.00 H new ATOM 0 HG2 GLN A 324 3.954 -0.382 -2.644 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.215 -0.794 -1.499 1.00 15.00 H new ATOM 0 HE21 GLN A 324 6.928 -1.179 -2.893 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.857 -2.310 -4.248 1.00 15.00 H new ATOM 443 N PHE A 325 0.786 -4.450 -1.626 1.00 15.00 N ATOM 444 CA PHE A 325 0.265 -5.490 -0.720 1.00 15.00 C ATOM 445 C PHE A 325 1.431 -6.207 -0.105 1.00 15.00 C ATOM 446 O PHE A 325 1.304 -7.088 0.739 1.00 15.00 O ATOM 447 CB PHE A 325 -0.665 -6.473 -1.406 1.00 15.00 C ATOM 448 CG PHE A 325 -2.074 -5.998 -1.376 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.531 -5.246 -0.300 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.939 -6.282 -2.416 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.832 -4.784 -0.286 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.240 -5.828 -2.396 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.686 -5.076 -1.332 1.00 15.00 C ATOM 0 H PHE A 325 0.664 -4.656 -2.618 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.338 -5.000 0.045 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.349 -6.615 -2.440 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.596 -7.444 -0.916 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.869 -5.023 0.524 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.591 -6.867 -3.255 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.184 -4.192 0.546 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.908 -6.061 -3.212 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.704 -4.714 -1.315 1.00 15.00 H new ATOM 463 N THR A 326 2.561 -5.877 -0.654 1.00 15.00 N ATOM 464 CA THR A 326 3.818 -6.330 -0.112 1.00 15.00 C ATOM 465 C THR A 326 4.227 -5.274 0.912 1.00 15.00 C ATOM 466 O THR A 326 4.897 -4.290 0.594 1.00 15.00 O ATOM 467 CB THR A 326 4.901 -6.537 -1.208 1.00 15.00 C ATOM 468 OG1 THR A 326 6.177 -6.815 -0.619 1.00 15.00 O ATOM 469 CG2 THR A 326 5.013 -5.340 -2.139 1.00 15.00 C ATOM 0 H THR A 326 2.644 -5.291 -1.484 1.00 15.00 H new ATOM 0 HA THR A 326 3.714 -7.312 0.350 1.00 15.00 H new ATOM 0 HB THR A 326 4.585 -7.394 -1.803 1.00 15.00 H new ATOM 0 HG1 THR A 326 6.843 -6.943 -1.326 1.00 15.00 H new ATOM 0 HG21 THR A 326 5.782 -5.532 -2.887 1.00 15.00 H new ATOM 0 HG22 THR A 326 4.057 -5.175 -2.636 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.280 -4.454 -1.563 1.00 15.00 H new ATOM 477 N ASP A 327 3.791 -5.475 2.141 1.00 15.00 N ATOM 478 CA ASP A 327 3.700 -4.404 3.098 1.00 15.00 C ATOM 479 C ASP A 327 4.533 -4.635 4.312 1.00 15.00 C ATOM 480 O ASP A 327 4.789 -5.764 4.727 1.00 15.00 O ATOM 481 CB ASP A 327 2.267 -4.136 3.521 1.00 15.00 C ATOM 482 CG ASP A 327 1.407 -5.381 3.636 1.00 15.00 C ATOM 483 OD1 ASP A 327 1.672 -6.186 4.545 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.459 -5.543 2.849 1.00 15.00 O1- ATOM 0 H ASP A 327 3.493 -6.383 2.497 1.00 15.00 H new ATOM 0 HA ASP A 327 4.090 -3.528 2.579 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.274 -3.623 4.483 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.809 -3.457 2.802 1.00 15.00 H new ATOM 489 N PRO A 328 4.966 -3.526 4.895 1.00 15.00 N ATOM 490 CA PRO A 328 5.660 -3.523 6.166 1.00 15.00 C ATOM 491 C PRO A 328 4.732 -4.103 7.243 1.00 15.00 C ATOM 492 O PRO A 328 5.150 -4.418 8.357 1.00 15.00 O ATOM 493 CB PRO A 328 5.997 -2.034 6.388 1.00 15.00 C ATOM 494 CG PRO A 328 5.794 -1.384 5.045 1.00 15.00 C ATOM 495 CD PRO A 328 4.716 -2.165 4.396 1.00 15.00 C ATOM 0 HA PRO A 328 6.562 -4.134 6.200 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.348 -1.591 7.143 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.022 -1.909 6.736 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.512 -0.337 5.153 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.709 -1.408 4.453 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.727 -1.804 4.678 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.776 -2.114 3.309 1.00 15.00 H new ATOM 503 N ARG A 329 3.443 -4.193 6.884 1.00 15.00 N ATOM 504 CA ARG A 329 2.430 -4.874 7.685 1.00 15.00 C ATOM 505 C ARG A 329 2.697 -6.383 7.747 1.00 15.00 C ATOM 506 O ARG A 329 2.572 -7.007 8.801 1.00 15.00 O ATOM 507 CB ARG A 329 1.022 -4.601 7.110 1.00 15.00 C ATOM 508 CG ARG A 329 0.551 -3.171 7.324 1.00 15.00 C ATOM 509 CD ARG A 329 0.080 -2.931 8.753 1.00 15.00 C ATOM 510 NE ARG A 329 1.146 -3.075 9.752 1.00 15.00 N ATOM 511 CZ ARG A 329 0.918 -3.341 11.040 1.00 15.00 C ATOM 512 NH1 ARG A 329 -0.325 -3.541 11.468 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 1.934 -3.417 11.894 1.00 15.00 N ATOM 0 H ARG A 329 3.077 -3.790 6.021 1.00 15.00 H new ATOM 0 HA ARG A 329 2.480 -4.481 8.700 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.025 -4.819 6.042 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.310 -5.284 7.573 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.364 -2.483 7.090 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.262 -2.950 6.633 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.342 -1.928 8.825 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.722 -3.631 8.985 1.00 15.00 H new ATOM 0 HE ARG A 329 2.113 -2.966 9.445 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -1.104 -3.491 10.812 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -0.499 -3.744 12.452 1.00 15.00 H new ATOM 0 HH21 ARG A 329 2.889 -3.272 11.565 1.00 15.00 H new ATOM 0 HH22 ARG A 329 1.759 -3.620 12.878 1.00 15.00 H new ATOM 645 N PRO B 207 -3.310 -9.124 -6.919 1.00 15.00 N ATOM 646 CA PRO B 207 -3.054 -7.819 -7.526 1.00 15.00 C ATOM 647 C PRO B 207 -3.743 -6.676 -6.780 1.00 15.00 C ATOM 648 O PRO B 207 -4.971 -6.658 -6.656 1.00 15.00 O ATOM 649 CB PRO B 207 -3.661 -7.958 -8.925 1.00 15.00 C ATOM 650 CG PRO B 207 -3.686 -9.424 -9.217 1.00 15.00 C ATOM 651 CD PRO B 207 -3.688 -10.143 -7.894 1.00 15.00 C ATOM 0 HA PRO B 207 -1.992 -7.574 -7.515 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -4.665 -7.536 -8.959 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -3.065 -7.423 -9.664 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -4.571 -9.685 -9.798 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -2.818 -9.713 -9.810 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -4.670 -10.560 -7.671 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -2.982 -10.973 -7.893 1.00 15.00 H new ATOM 659 N PRO B 208 -2.960 -5.710 -6.271 1.00 15.00 N ATOM 660 CA PRO B 208 -3.485 -4.606 -5.475 1.00 15.00 C ATOM 661 C PRO B 208 -4.105 -3.488 -6.320 1.00 15.00 C ATOM 662 O PRO B 208 -3.967 -3.466 -7.545 1.00 15.00 O ATOM 663 CB PRO B 208 -2.256 -4.088 -4.707 1.00 15.00 C ATOM 664 CG PRO B 208 -1.085 -4.905 -5.158 1.00 15.00 C ATOM 665 CD PRO B 208 -1.501 -5.618 -6.412 1.00 15.00 C ATOM 0 HA PRO B 208 -4.298 -4.940 -4.830 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.091 -3.030 -4.912 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.404 -4.185 -3.631 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.220 -4.268 -5.346 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.794 -5.619 -4.388 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.216 -5.063 -7.306 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.040 -6.603 -6.488 1.00 15.00 H new ATOM 673 N PRO B 209 -4.798 -2.548 -5.647 1.00 15.00 N ATOM 674 CA PRO B 209 -5.460 -1.394 -6.280 1.00 15.00 C ATOM 675 C PRO B 209 -4.564 -0.635 -7.261 1.00 15.00 C ATOM 676 O PRO B 209 -3.393 -0.400 -6.979 1.00 15.00 O ATOM 677 CB PRO B 209 -5.769 -0.476 -5.092 1.00 15.00 C ATOM 678 CG PRO B 209 -5.838 -1.357 -3.899 1.00 15.00 C ATOM 679 CD PRO B 209 -5.011 -2.572 -4.189 1.00 15.00 C ATOM 0 HA PRO B 209 -6.322 -1.717 -6.863 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.994 0.282 -4.973 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.711 0.052 -5.242 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.462 -0.839 -3.017 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.870 -1.637 -3.688 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.063 -2.542 -3.651 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.525 -3.482 -3.880 1.00 15.00 H new ATOM 687 N PRO B 210 -5.117 -0.227 -8.419 1.00 15.00 N ATOM 688 CA PRO B 210 -4.411 0.635 -9.381 1.00 15.00 C ATOM 689 C PRO B 210 -3.838 1.872 -8.693 1.00 15.00 C ATOM 690 O PRO B 210 -4.448 2.403 -7.760 1.00 15.00 O ATOM 691 CB PRO B 210 -5.512 1.032 -10.366 1.00 15.00 C ATOM 692 CG PRO B 210 -6.494 -0.085 -10.302 1.00 15.00 C ATOM 693 CD PRO B 210 -6.473 -0.575 -8.881 1.00 15.00 C ATOM 0 HA PRO B 210 -3.564 0.138 -9.854 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.971 1.980 -10.086 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.116 1.155 -11.374 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.491 0.255 -10.583 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.223 -0.883 -10.994 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.240 -0.090 -8.277 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.654 -1.648 -8.823 1.00 15.00 H new ATOM 701 N TYR B 211 -2.686 2.349 -9.159 1.00 15.00 N ATOM 702 CA TYR B 211 -1.974 3.391 -8.436 1.00 15.00 C ATOM 703 C TYR B 211 -2.640 4.752 -8.563 1.00 15.00 C ATOM 704 O TYR B 211 -2.409 5.501 -9.514 1.00 15.00 O ATOM 705 CB TYR B 211 -0.506 3.495 -8.854 1.00 15.00 C ATOM 706 CG TYR B 211 0.285 4.431 -7.959 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.550 4.087 -6.640 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.761 5.657 -8.421 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.259 4.927 -5.812 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.473 6.504 -7.586 1.00 15.00 C ATOM 711 CZ TYR B 211 1.716 6.130 -6.285 1.00 15.00 C ATOM 712 OH TYR B 211 2.429 6.958 -5.452 1.00 15.00 O ATOM 0 H TYR B 211 -2.235 2.035 -10.018 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.013 3.089 -7.389 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.053 2.504 -8.830 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.448 3.846 -9.884 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.193 3.143 -6.257 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.573 5.951 -9.443 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.455 4.639 -4.790 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.835 7.452 -7.955 1.00 15.00 H new ATOM 0 HH TYR B 211 2.517 7.842 -5.866 1.00 15.00 H new ATOM 722 N SER B 212 -3.513 5.023 -7.625 1.00 15.00 N ATOM 723 CA SER B 212 -3.959 6.363 -7.342 1.00 15.00 C ATOM 724 C SER B 212 -3.165 6.812 -6.129 1.00 15.00 C ATOM 725 O SER B 212 -2.785 5.965 -5.318 1.00 15.00 O ATOM 726 CB SER B 212 -5.466 6.369 -7.053 1.00 15.00 C ATOM 727 OG SER B 212 -5.969 7.692 -6.927 1.00 15.00 O ATOM 0 H SER B 212 -3.938 4.311 -7.031 1.00 15.00 H new ATOM 0 HA SER B 212 -3.800 7.035 -8.185 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.993 5.854 -7.856 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.663 5.815 -6.135 1.00 15.00 H new ATOM 0 HG SER B 212 -6.931 7.660 -6.745 1.00 15.00 H new ATOM 733 N ARG B 213 -2.890 8.103 -5.989 1.00 15.00 N ATOM 734 CA ARG B 213 -2.082 8.552 -4.861 1.00 15.00 C ATOM 735 C ARG B 213 -2.777 8.160 -3.568 1.00 15.00 C ATOM 736 O ARG B 213 -2.183 7.549 -2.684 1.00 15.00 O ATOM 737 CB ARG B 213 -1.886 10.072 -4.854 1.00 15.00 C ATOM 738 CG ARG B 213 -1.316 10.665 -6.119 1.00 15.00 C ATOM 739 CD ARG B 213 -1.132 12.168 -5.993 1.00 15.00 C ATOM 740 NE ARG B 213 -2.416 12.855 -5.882 1.00 15.00 N ATOM 741 CZ ARG B 213 -2.642 13.896 -5.083 1.00 15.00 C ATOM 742 NH1 ARG B 213 -1.652 14.420 -4.366 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -3.856 14.423 -5.013 1.00 15.00 N ATOM 0 H ARG B 213 -3.203 8.839 -6.622 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.104 8.080 -4.952 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.849 10.543 -4.656 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.228 10.331 -4.025 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.357 10.197 -6.342 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.979 10.447 -6.956 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.522 12.389 -5.117 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.591 12.544 -6.861 1.00 15.00 H new ATOM 0 HE ARG B 213 -3.190 12.515 -6.453 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -0.714 14.024 -4.426 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -1.831 15.217 -3.756 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -4.615 14.031 -5.570 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.031 15.220 -4.402 1.00 15.00 H new ATOM 757 N TYR B 214 -4.027 8.571 -3.454 1.00 15.00 N ATOM 758 CA TYR B 214 -4.846 8.248 -2.304 1.00 15.00 C ATOM 759 C TYR B 214 -6.071 7.481 -2.753 1.00 15.00 C ATOM 760 O TYR B 214 -7.116 8.063 -3.048 1.00 15.00 O ATOM 761 CB TYR B 214 -5.232 9.529 -1.546 1.00 15.00 C ATOM 762 CG TYR B 214 -4.072 10.488 -1.354 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.511 11.141 -2.444 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.519 10.718 -0.101 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.438 11.984 -2.304 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.443 11.575 0.053 1.00 15.00 C ATOM 767 CZ TYR B 214 -1.905 12.202 -1.053 1.00 15.00 C ATOM 768 OH TYR B 214 -0.829 13.045 -0.907 1.00 15.00 O ATOM 0 H TYR B 214 -4.501 9.138 -4.157 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.279 7.618 -1.619 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.028 10.038 -2.089 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.635 9.258 -0.570 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -3.930 10.981 -3.426 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.934 10.222 0.764 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.014 12.473 -3.169 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.026 11.752 1.034 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.575 13.091 0.038 1.00 15.00 H new ATOM 778 N PRO B 215 -5.930 6.169 -2.870 1.00 15.00 N ATOM 779 CA PRO B 215 -7.011 5.302 -3.299 1.00 15.00 C ATOM 780 C PRO B 215 -7.977 4.998 -2.161 1.00 15.00 C ATOM 781 O PRO B 215 -7.575 4.529 -1.099 1.00 15.00 O ATOM 782 CB PRO B 215 -6.282 4.041 -3.766 1.00 15.00 C ATOM 783 CG PRO B 215 -4.977 4.031 -3.033 1.00 15.00 C ATOM 784 CD PRO B 215 -4.685 5.435 -2.599 1.00 15.00 C ATOM 0 HA PRO B 215 -7.630 5.751 -4.076 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.864 3.147 -3.542 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.125 4.057 -4.845 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.029 3.367 -2.170 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.181 3.656 -3.676 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.421 5.477 -1.542 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.847 5.856 -3.154 1.00 15.00 H new