USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 929 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: B 40 THR OG1 : rot 163:sc= 1.56 USER MOD Set 1.2: B 43 LYS NZ :NH3+ -170:sc= -1.29 (180deg=-1.93!) USER MOD Set 2.1: B 35 SER OG : rot -2:sc= -0.2 USER MOD Set 2.2: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= -0.958 F(o=-6.4!,f=-0.99) USER MOD Set 3.2: A 34 LYS NZ :NH3+ 168:sc= -0.0344 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 36:sc= 0.216 USER MOD Single : A 28 SER OG : rot 180:sc= 0.4 USER MOD Single : A 30 SER OG : rot 170:sc= 0.421 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.08) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 67 TYR OH : rot -15:sc= -0.0855 USER MOD Single : A 75 THR OG1 : rot -56:sc= -1.97! USER MOD Single : A 80 CYS SG : rot 41:sc= 0.274 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot -160:sc= -0.52 USER MOD Single : B 38 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.381) USER MOD Single : B 41 LYS NZ :NH3+ -165:sc= 1.13 (180deg=0.674) USER MOD Single : B 54 SER OG : rot 55:sc= 0.043 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl 171:sc= -1.04 (180deg=-1.16) USER MOD Single : B 63 LYS NZ :NH3+ -137:sc= -0.0482 (180deg=-0.304) USER MOD Single : B 66 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.83) USER MOD Single : B 68 ASN : amide:sc=-0.00904 K(o=-0.009,f=-2.2!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -12.747 -8.589 -11.615 1.00 0.00 N ATOM 2 CA THR A 26 -11.726 -8.320 -10.583 1.00 0.00 C ATOM 3 C THR A 26 -12.029 -7.005 -9.865 1.00 0.00 C ATOM 4 O THR A 26 -11.608 -5.933 -10.304 1.00 0.00 O ATOM 5 CB THR A 26 -10.320 -8.254 -11.214 1.00 0.00 C ATOM 6 OG1 THR A 26 -10.109 -9.397 -12.054 1.00 0.00 O ATOM 7 CG2 THR A 26 -9.240 -8.208 -10.144 1.00 0.00 C ATOM 0 HA THR A 26 -11.751 -9.136 -9.861 1.00 0.00 H new ATOM 0 HB THR A 26 -10.259 -7.342 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.948 -9.634 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.260 -8.162 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.383 -7.326 -9.520 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.302 -9.103 -9.526 1.00 0.00 H new ATOM 15 N GLY A 27 -12.773 -7.090 -8.771 1.00 0.00 N ATOM 16 CA GLY A 27 -13.121 -5.900 -8.024 1.00 0.00 C ATOM 17 C GLY A 27 -14.334 -6.102 -7.140 1.00 0.00 C ATOM 18 O GLY A 27 -15.272 -5.303 -7.167 1.00 0.00 O ATOM 0 H GLY A 27 -13.141 -7.961 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.273 -5.601 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.314 -5.083 -8.719 1.00 0.00 H new ATOM 22 N SER A 28 -14.324 -7.171 -6.363 1.00 0.00 N ATOM 23 CA SER A 28 -15.395 -7.429 -5.414 1.00 0.00 C ATOM 24 C SER A 28 -14.847 -8.085 -4.154 1.00 0.00 C ATOM 25 O SER A 28 -14.536 -7.408 -3.173 1.00 0.00 O ATOM 26 CB SER A 28 -16.481 -8.305 -6.048 1.00 0.00 C ATOM 27 OG SER A 28 -15.918 -9.426 -6.713 1.00 0.00 O ATOM 0 H SER A 28 -13.586 -7.875 -6.370 1.00 0.00 H new ATOM 0 HA SER A 28 -15.844 -6.475 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.172 -8.646 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.061 -7.713 -6.756 1.00 0.00 H new ATOM 0 HG SER A 28 -16.634 -9.967 -7.106 1.00 0.00 H new ATOM 33 N LEU A 29 -14.729 -9.405 -4.194 1.00 0.00 N ATOM 34 CA LEU A 29 -14.186 -10.172 -3.087 1.00 0.00 C ATOM 35 C LEU A 29 -13.175 -11.181 -3.611 1.00 0.00 C ATOM 36 O LEU A 29 -12.923 -11.254 -4.820 1.00 0.00 O ATOM 37 CB LEU A 29 -15.283 -10.924 -2.309 1.00 0.00 C ATOM 38 CG LEU A 29 -16.286 -10.079 -1.503 1.00 0.00 C ATOM 39 CD1 LEU A 29 -15.570 -9.049 -0.645 1.00 0.00 C ATOM 40 CD2 LEU A 29 -17.309 -9.412 -2.411 1.00 0.00 C ATOM 0 H LEU A 29 -15.007 -9.972 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 29 -13.709 -9.467 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.846 -11.528 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.795 -11.614 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.824 -10.756 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.304 -8.467 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.903 -9.556 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.989 -8.384 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -18.001 -8.824 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.797 -8.759 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -17.862 -10.175 -2.958 1.00 0.00 H new ATOM 52 N SER A 30 -12.618 -11.957 -2.696 1.00 0.00 N ATOM 53 CA SER A 30 -11.647 -12.991 -3.013 1.00 0.00 C ATOM 54 C SER A 30 -11.232 -13.678 -1.717 1.00 0.00 C ATOM 55 O SER A 30 -11.985 -13.661 -0.742 1.00 0.00 O ATOM 56 CB SER A 30 -10.419 -12.395 -3.720 1.00 0.00 C ATOM 57 OG SER A 30 -9.609 -13.413 -4.289 1.00 0.00 O ATOM 0 H SER A 30 -12.830 -11.886 -1.701 1.00 0.00 H new ATOM 0 HA SER A 30 -12.097 -13.715 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.744 -11.707 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.832 -11.815 -3.008 1.00 0.00 H new ATOM 0 HG SER A 30 -8.929 -13.006 -4.865 1.00 0.00 H new ATOM 63 N VAL A 31 -10.047 -14.271 -1.700 1.00 0.00 N ATOM 64 CA VAL A 31 -9.538 -14.909 -0.497 1.00 0.00 C ATOM 65 C VAL A 31 -9.218 -13.855 0.562 1.00 0.00 C ATOM 66 O VAL A 31 -9.155 -12.659 0.265 1.00 0.00 O ATOM 67 CB VAL A 31 -8.281 -15.756 -0.786 1.00 0.00 C ATOM 68 CG1 VAL A 31 -8.517 -16.683 -1.966 1.00 0.00 C ATOM 69 CG2 VAL A 31 -7.072 -14.870 -1.021 1.00 0.00 C ATOM 0 H VAL A 31 -9.422 -14.323 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.315 -15.577 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.077 -16.371 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.618 -17.271 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.348 -17.352 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.754 -16.092 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.199 -15.491 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.259 -14.219 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.888 -14.263 -0.135 1.00 0.00 H new ATOM 79 N ASP A 32 -9.001 -14.295 1.788 1.00 0.00 N ATOM 80 CA ASP A 32 -8.821 -13.373 2.902 1.00 0.00 C ATOM 81 C ASP A 32 -7.505 -13.643 3.621 1.00 0.00 C ATOM 82 O ASP A 32 -7.302 -13.193 4.748 1.00 0.00 O ATOM 83 CB ASP A 32 -9.992 -13.487 3.887 1.00 0.00 C ATOM 84 CG ASP A 32 -9.966 -14.774 4.693 1.00 0.00 C ATOM 85 OD1 ASP A 32 -10.423 -15.818 4.179 1.00 0.00 O1- ATOM 86 OD2 ASP A 32 -9.488 -14.750 5.848 1.00 0.00 O ATOM 0 H ASP A 32 -8.945 -15.282 2.040 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.795 -12.360 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.970 -12.637 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.930 -13.429 3.336 1.00 0.00 H new ATOM 91 N ASN A 33 -6.620 -14.366 2.936 1.00 0.00 N ATOM 92 CA ASN A 33 -5.311 -14.762 3.476 1.00 0.00 C ATOM 93 C ASN A 33 -4.615 -13.630 4.246 1.00 0.00 C ATOM 94 O ASN A 33 -4.304 -13.785 5.425 1.00 0.00 O ATOM 95 CB ASN A 33 -4.406 -15.314 2.353 1.00 0.00 C ATOM 96 CG ASN A 33 -4.091 -14.329 1.224 1.00 0.00 C ATOM 97 OD1 ASN A 33 -4.951 -13.341 1.005 1.00 0.00 O flip ATOM 98 ND2 ASN A 33 -3.062 -14.450 0.565 1.00 0.00 N flip ATOM 0 H ASN A 33 -6.787 -14.697 1.986 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.493 -15.555 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.467 -15.646 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.884 -16.194 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.421 -15.220 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.848 -13.781 -0.174 1.00 0.00 H new ATOM 105 N LYS A 34 -4.360 -12.505 3.595 1.00 0.00 N ATOM 106 CA LYS A 34 -3.839 -11.343 4.294 1.00 0.00 C ATOM 107 C LYS A 34 -4.955 -10.346 4.564 1.00 0.00 C ATOM 108 O LYS A 34 -5.841 -10.149 3.732 1.00 0.00 O ATOM 109 CB LYS A 34 -2.717 -10.654 3.508 1.00 0.00 C ATOM 110 CG LYS A 34 -1.404 -11.419 3.476 1.00 0.00 C ATOM 111 CD LYS A 34 -1.461 -12.605 2.533 1.00 0.00 C ATOM 112 CE LYS A 34 -0.139 -13.346 2.489 1.00 0.00 C ATOM 113 NZ LYS A 34 -0.151 -14.448 1.496 1.00 0.00 N1+ ATOM 0 H LYS A 34 -4.504 -12.373 2.594 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.422 -11.696 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.054 -10.494 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.539 -9.670 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.601 -10.749 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.162 -11.766 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.250 -13.286 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.720 -12.262 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.660 -12.647 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.083 -13.751 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.819 -14.795 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.747 -15.225 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.533 -14.098 0.594 1.00 0.00 H new ATOM 127 N LYS A 35 -4.906 -9.727 5.730 1.00 0.00 N ATOM 128 CA LYS A 35 -5.890 -8.734 6.116 1.00 0.00 C ATOM 129 C LYS A 35 -5.476 -7.365 5.598 1.00 0.00 C ATOM 130 O LYS A 35 -4.397 -6.867 5.923 1.00 0.00 O ATOM 131 CB LYS A 35 -6.037 -8.696 7.637 1.00 0.00 C ATOM 132 CG LYS A 35 -6.396 -10.042 8.245 1.00 0.00 C ATOM 133 CD LYS A 35 -6.451 -9.978 9.763 1.00 0.00 C ATOM 134 CE LYS A 35 -7.574 -9.077 10.249 1.00 0.00 C ATOM 135 NZ LYS A 35 -7.602 -8.984 11.730 1.00 0.00 N1+ ATOM 0 H LYS A 35 -4.186 -9.898 6.432 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.851 -9.004 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.103 -8.346 8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.806 -7.970 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.362 -10.369 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.662 -10.787 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.591 -10.982 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.499 -9.611 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.451 -8.081 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.529 -9.461 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.381 -8.361 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.745 -9.931 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.700 -8.594 12.070 1.00 0.00 H new ATOM 149 N PHE A 36 -6.318 -6.777 4.769 1.00 0.00 N ATOM 150 CA PHE A 36 -6.040 -5.466 4.215 1.00 0.00 C ATOM 151 C PHE A 36 -7.091 -4.473 4.677 1.00 0.00 C ATOM 152 O PHE A 36 -8.254 -4.585 4.302 1.00 0.00 O ATOM 153 CB PHE A 36 -6.047 -5.525 2.690 1.00 0.00 C ATOM 154 CG PHE A 36 -5.213 -6.630 2.111 1.00 0.00 C ATOM 155 CD1 PHE A 36 -3.835 -6.602 2.214 1.00 0.00 C ATOM 156 CD2 PHE A 36 -5.812 -7.694 1.453 1.00 0.00 C ATOM 157 CE1 PHE A 36 -3.066 -7.612 1.674 1.00 0.00 C ATOM 158 CE2 PHE A 36 -5.048 -8.707 0.906 1.00 0.00 C ATOM 159 CZ PHE A 36 -3.672 -8.666 1.017 1.00 0.00 C ATOM 0 H PHE A 36 -7.201 -7.187 4.464 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.057 -5.147 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.075 -5.644 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.689 -4.572 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.355 -5.780 2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.888 -7.731 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.990 -7.579 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.526 -9.529 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.071 -9.456 0.591 1.00 0.00 H new ATOM 169 N TRP A 37 -6.693 -3.508 5.486 1.00 0.00 N ATOM 170 CA TRP A 37 -7.622 -2.495 5.959 1.00 0.00 C ATOM 171 C TRP A 37 -7.442 -1.201 5.177 1.00 0.00 C ATOM 172 O TRP A 37 -6.493 -0.455 5.409 1.00 0.00 O ATOM 173 CB TRP A 37 -7.416 -2.238 7.453 1.00 0.00 C ATOM 174 CG TRP A 37 -7.598 -3.462 8.298 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.619 -4.170 8.932 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.833 -4.128 8.594 1.00 0.00 C ATOM 177 NE1 TRP A 37 -7.169 -5.229 9.612 1.00 0.00 N ATOM 178 CE2 TRP A 37 -8.525 -5.225 9.419 1.00 0.00 C ATOM 179 CE3 TRP A 37 -10.169 -3.900 8.245 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -9.502 -6.091 9.901 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -11.136 -4.763 8.724 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.798 -5.845 9.544 1.00 0.00 C ATOM 0 H TRP A 37 -5.738 -3.403 5.828 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.637 -2.860 5.802 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.413 -1.842 7.611 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -8.117 -1.471 7.782 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.566 -3.932 8.903 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.652 -5.908 10.170 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -10.439 -3.066 7.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.245 -6.927 10.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -12.171 -4.599 8.461 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.578 -6.500 9.903 1.00 0.00 H new ATOM 193 N ALA A 38 -8.350 -0.942 4.246 1.00 0.00 N ATOM 194 CA ALA A 38 -8.281 0.259 3.426 1.00 0.00 C ATOM 195 C ALA A 38 -9.022 1.406 4.092 1.00 0.00 C ATOM 196 O ALA A 38 -10.247 1.495 4.026 1.00 0.00 O ATOM 197 CB ALA A 38 -8.849 -0.003 2.041 1.00 0.00 C ATOM 0 H ALA A 38 -9.144 -1.548 4.040 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.233 0.539 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.788 0.907 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.276 -0.794 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.891 -0.311 2.127 1.00 0.00 H new ATOM 203 N THR A 39 -8.269 2.250 4.768 1.00 0.00 N ATOM 204 CA THR A 39 -8.785 3.488 5.310 1.00 0.00 C ATOM 205 C THR A 39 -9.258 4.396 4.177 1.00 0.00 C ATOM 206 O THR A 39 -8.447 4.936 3.431 1.00 0.00 O ATOM 207 CB THR A 39 -7.689 4.205 6.124 1.00 0.00 C ATOM 208 OG1 THR A 39 -7.273 3.371 7.210 1.00 0.00 O ATOM 209 CG2 THR A 39 -8.170 5.543 6.664 1.00 0.00 C ATOM 0 H THR A 39 -7.279 2.095 4.957 1.00 0.00 H new ATOM 0 HA THR A 39 -9.627 3.262 5.964 1.00 0.00 H new ATOM 0 HB THR A 39 -6.849 4.397 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.575 3.828 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.368 6.016 7.231 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.457 6.189 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.030 5.385 7.314 1.00 0.00 H new ATOM 217 N VAL A 40 -10.564 4.524 4.028 1.00 0.00 N ATOM 218 CA VAL A 40 -11.131 5.418 3.035 1.00 0.00 C ATOM 219 C VAL A 40 -11.773 6.611 3.727 1.00 0.00 C ATOM 220 O VAL A 40 -12.166 6.526 4.894 1.00 0.00 O ATOM 221 CB VAL A 40 -12.186 4.720 2.146 1.00 0.00 C ATOM 222 CG1 VAL A 40 -11.578 3.558 1.380 1.00 0.00 C ATOM 223 CG2 VAL A 40 -13.364 4.244 2.973 1.00 0.00 C ATOM 0 H VAL A 40 -11.254 4.018 4.584 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.314 5.742 2.390 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.544 5.455 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.344 3.087 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.774 3.924 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.179 2.827 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.091 3.757 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.018 3.536 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.831 5.097 3.465 1.00 0.00 H new ATOM 233 N GLU A 41 -11.877 7.715 3.016 1.00 0.00 N ATOM 234 CA GLU A 41 -12.448 8.917 3.580 1.00 0.00 C ATOM 235 C GLU A 41 -13.708 9.307 2.833 1.00 0.00 C ATOM 236 O GLU A 41 -13.654 9.735 1.679 1.00 0.00 O ATOM 237 CB GLU A 41 -11.444 10.061 3.528 1.00 0.00 C ATOM 238 CG GLU A 41 -11.929 11.313 4.231 1.00 0.00 C ATOM 239 CD GLU A 41 -10.980 12.475 4.052 1.00 0.00 C ATOM 240 OE1 GLU A 41 -10.031 12.604 4.855 1.00 0.00 O ATOM 241 OE2 GLU A 41 -11.174 13.258 3.100 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.573 7.803 2.046 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.701 8.716 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.508 9.736 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.226 10.298 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.911 11.586 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.050 11.106 5.294 1.00 0.00 H new ATOM 248 N SER A 42 -14.839 9.148 3.485 1.00 0.00 N ATOM 249 CA SER A 42 -16.095 9.584 2.923 1.00 0.00 C ATOM 250 C SER A 42 -16.401 10.998 3.402 1.00 0.00 C ATOM 251 O SER A 42 -15.811 11.456 4.386 1.00 0.00 O ATOM 252 CB SER A 42 -17.207 8.621 3.324 1.00 0.00 C ATOM 253 OG SER A 42 -16.847 7.284 3.017 1.00 0.00 O ATOM 0 H SER A 42 -14.913 8.719 4.407 1.00 0.00 H new ATOM 0 HA SER A 42 -16.028 9.591 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.407 8.713 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.128 8.884 2.803 1.00 0.00 H new ATOM 0 HG SER A 42 -17.572 6.681 3.283 1.00 0.00 H new ATOM 259 N SER A 43 -17.302 11.686 2.721 1.00 0.00 N ATOM 260 CA SER A 43 -17.641 13.056 3.076 1.00 0.00 C ATOM 261 C SER A 43 -18.163 13.135 4.513 1.00 0.00 C ATOM 262 O SER A 43 -17.900 14.107 5.230 1.00 0.00 O ATOM 263 CB SER A 43 -18.679 13.600 2.098 1.00 0.00 C ATOM 264 OG SER A 43 -18.252 13.414 0.759 1.00 0.00 O ATOM 0 H SER A 43 -17.813 11.319 1.918 1.00 0.00 H new ATOM 0 HA SER A 43 -16.740 13.666 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.633 13.096 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.844 14.660 2.288 1.00 0.00 H new ATOM 0 HG SER A 43 -18.931 13.767 0.147 1.00 0.00 H new ATOM 270 N GLU A 44 -18.888 12.105 4.932 1.00 0.00 N ATOM 271 CA GLU A 44 -19.407 12.040 6.290 1.00 0.00 C ATOM 272 C GLU A 44 -18.299 11.694 7.283 1.00 0.00 C ATOM 273 O GLU A 44 -17.997 12.480 8.179 1.00 0.00 O ATOM 274 CB GLU A 44 -20.536 11.018 6.383 1.00 0.00 C ATOM 275 CG GLU A 44 -21.754 11.386 5.556 1.00 0.00 C ATOM 276 CD GLU A 44 -22.871 10.379 5.701 1.00 0.00 C ATOM 277 OE1 GLU A 44 -23.628 10.460 6.690 1.00 0.00 O1- ATOM 278 OE2 GLU A 44 -22.992 9.492 4.834 1.00 0.00 O ATOM 0 H GLU A 44 -19.129 11.303 4.349 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.802 13.023 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.164 10.047 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.834 10.911 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -22.113 12.370 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.469 11.461 4.507 1.00 0.00 H new ATOM 285 N HIS A 45 -17.690 10.524 7.120 1.00 0.00 N ATOM 286 CA HIS A 45 -16.627 10.094 8.022 1.00 0.00 C ATOM 287 C HIS A 45 -15.666 9.134 7.328 1.00 0.00 C ATOM 288 O HIS A 45 -15.999 8.533 6.307 1.00 0.00 O ATOM 289 CB HIS A 45 -17.215 9.439 9.285 1.00 0.00 C ATOM 290 CG HIS A 45 -18.002 8.182 9.042 1.00 0.00 C ATOM 291 ND1 HIS A 45 -19.379 8.148 9.009 1.00 0.00 N ATOM 292 CD2 HIS A 45 -17.594 6.907 8.844 1.00 0.00 C ATOM 293 CE1 HIS A 45 -19.780 6.909 8.803 1.00 0.00 C ATOM 294 NE2 HIS A 45 -18.718 6.137 8.699 1.00 0.00 N ATOM 0 H HIS A 45 -17.912 9.861 6.378 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.066 10.981 8.317 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -16.399 9.212 9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -17.860 10.162 9.784 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -16.572 6.561 8.807 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -20.807 6.582 8.732 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -18.730 5.130 8.537 1.00 0.00 H new ATOM 303 N SER A 46 -14.473 9.002 7.888 1.00 0.00 N ATOM 304 CA SER A 46 -13.467 8.093 7.364 1.00 0.00 C ATOM 305 C SER A 46 -13.490 6.770 8.132 1.00 0.00 C ATOM 306 O SER A 46 -13.739 6.757 9.338 1.00 0.00 O ATOM 307 CB SER A 46 -12.090 8.746 7.472 1.00 0.00 C ATOM 308 OG SER A 46 -11.898 9.312 8.761 1.00 0.00 O ATOM 0 H SER A 46 -14.177 9.520 8.715 1.00 0.00 H new ATOM 0 HA SER A 46 -13.685 7.882 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.315 8.005 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.989 9.520 6.712 1.00 0.00 H new ATOM 0 HG SER A 46 -11.010 9.723 8.809 1.00 0.00 H new ATOM 314 N PHE A 47 -13.238 5.667 7.438 1.00 0.00 N ATOM 315 CA PHE A 47 -13.214 4.351 8.069 1.00 0.00 C ATOM 316 C PHE A 47 -12.347 3.393 7.265 1.00 0.00 C ATOM 317 O PHE A 47 -12.069 3.638 6.094 1.00 0.00 O ATOM 318 CB PHE A 47 -14.634 3.780 8.212 1.00 0.00 C ATOM 319 CG PHE A 47 -15.391 3.616 6.916 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.121 2.558 6.057 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.392 4.508 6.572 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.835 2.400 4.885 1.00 0.00 C ATOM 323 CE2 PHE A 47 -17.105 4.356 5.399 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.826 3.300 4.556 1.00 0.00 C ATOM 0 H PHE A 47 -13.047 5.657 6.436 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.788 4.465 9.066 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.571 2.809 8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.207 4.433 8.870 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.344 1.851 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.619 5.334 7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.617 1.572 4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.880 5.063 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 47 -17.384 3.179 3.639 1.00 0.00 H new ATOM 334 N GLU A 48 -11.924 2.307 7.893 1.00 0.00 N ATOM 335 CA GLU A 48 -11.150 1.289 7.203 1.00 0.00 C ATOM 336 C GLU A 48 -12.047 0.142 6.763 1.00 0.00 C ATOM 337 O GLU A 48 -12.805 -0.424 7.558 1.00 0.00 O ATOM 338 CB GLU A 48 -9.987 0.766 8.067 1.00 0.00 C ATOM 339 CG GLU A 48 -10.388 0.217 9.433 1.00 0.00 C ATOM 340 CD GLU A 48 -10.775 1.301 10.416 1.00 0.00 C ATOM 341 OE1 GLU A 48 -9.873 1.870 11.069 1.00 0.00 O1- ATOM 342 OE2 GLU A 48 -11.979 1.601 10.530 1.00 0.00 O ATOM 0 H GLU A 48 -12.104 2.109 8.877 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.715 1.755 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.470 -0.019 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.272 1.576 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.225 -0.470 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.559 -0.360 9.844 1.00 0.00 H new ATOM 349 N VAL A 49 -11.977 -0.173 5.484 1.00 0.00 N ATOM 350 CA VAL A 49 -12.759 -1.251 4.909 1.00 0.00 C ATOM 351 C VAL A 49 -11.828 -2.323 4.337 1.00 0.00 C ATOM 352 O VAL A 49 -10.889 -2.017 3.603 1.00 0.00 O ATOM 353 CB VAL A 49 -13.723 -0.713 3.823 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.981 0.144 2.810 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.466 -1.849 3.132 1.00 0.00 C ATOM 0 H VAL A 49 -11.378 0.310 4.815 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.366 -1.702 5.694 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.462 -0.085 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.682 0.509 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.520 0.991 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.208 -0.453 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.135 -1.439 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.748 -2.518 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -15.048 -2.404 3.868 1.00 0.00 H new ATOM 365 N PRO A 50 -12.055 -3.590 4.710 1.00 0.00 N ATOM 366 CA PRO A 50 -11.185 -4.703 4.314 1.00 0.00 C ATOM 367 C PRO A 50 -11.179 -4.970 2.808 1.00 0.00 C ATOM 368 O PRO A 50 -12.207 -4.870 2.133 1.00 0.00 O ATOM 369 CB PRO A 50 -11.763 -5.905 5.064 1.00 0.00 C ATOM 370 CG PRO A 50 -13.164 -5.529 5.392 1.00 0.00 C ATOM 371 CD PRO A 50 -13.171 -4.037 5.559 1.00 0.00 C ATOM 0 HA PRO A 50 -10.144 -4.486 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.731 -6.804 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.191 -6.116 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.845 -5.835 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.496 -6.024 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.118 -3.602 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.024 -3.749 6.600 1.00 0.00 H new ATOM 379 N ILE A 51 -10.004 -5.319 2.300 1.00 0.00 N ATOM 380 CA ILE A 51 -9.838 -5.699 0.903 1.00 0.00 C ATOM 381 C ILE A 51 -9.654 -7.207 0.825 1.00 0.00 C ATOM 382 O ILE A 51 -9.108 -7.815 1.749 1.00 0.00 O ATOM 383 CB ILE A 51 -8.599 -5.024 0.260 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.544 -3.532 0.597 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.599 -5.220 -1.252 1.00 0.00 C ATOM 386 CD1 ILE A 51 -9.676 -2.732 -0.001 1.00 0.00 C ATOM 0 H ILE A 51 -9.141 -5.347 2.843 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.726 -5.374 0.360 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.712 -5.502 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.559 -3.413 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.597 -3.124 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.721 -4.738 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.576 -6.285 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.500 -4.777 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.570 -1.684 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.650 -2.820 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.627 -3.113 0.371 1.00 0.00 H new ATOM 398 N TYR A 52 -10.116 -7.811 -0.255 1.00 0.00 N ATOM 399 CA TYR A 52 -9.965 -9.245 -0.434 1.00 0.00 C ATOM 400 C TYR A 52 -9.230 -9.536 -1.730 1.00 0.00 C ATOM 401 O TYR A 52 -9.752 -9.300 -2.818 1.00 0.00 O ATOM 402 CB TYR A 52 -11.329 -9.935 -0.435 1.00 0.00 C ATOM 403 CG TYR A 52 -12.056 -9.867 0.891 1.00 0.00 C ATOM 404 CD1 TYR A 52 -12.735 -8.718 1.275 1.00 0.00 C ATOM 405 CD2 TYR A 52 -12.069 -10.957 1.754 1.00 0.00 C ATOM 406 CE1 TYR A 52 -13.406 -8.656 2.480 1.00 0.00 C ATOM 407 CE2 TYR A 52 -12.738 -10.901 2.962 1.00 0.00 C ATOM 408 CZ TYR A 52 -13.405 -9.749 3.319 1.00 0.00 C ATOM 409 OH TYR A 52 -14.079 -9.690 4.517 1.00 0.00 O ATOM 0 H TYR A 52 -10.597 -7.335 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.382 -9.637 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.954 -9.480 -1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.195 -10.981 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -12.738 -7.859 0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.548 -11.861 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -13.929 -7.755 2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.738 -11.755 3.623 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.981 -10.543 4.990 1.00 0.00 H new ATOM 419 N ALA A 53 -8.018 -10.056 -1.607 1.00 0.00 N ATOM 420 CA ALA A 53 -7.187 -10.347 -2.766 1.00 0.00 C ATOM 421 C ALA A 53 -6.205 -11.465 -2.454 1.00 0.00 C ATOM 422 O ALA A 53 -5.909 -11.736 -1.289 1.00 0.00 O ATOM 423 CB ALA A 53 -6.439 -9.100 -3.199 1.00 0.00 C ATOM 0 H ALA A 53 -7.586 -10.286 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.833 -10.673 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.821 -9.330 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.154 -8.319 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.805 -8.754 -2.383 1.00 0.00 H new ATOM 429 N GLU A 54 -5.697 -12.102 -3.503 1.00 0.00 N ATOM 430 CA GLU A 54 -4.773 -13.217 -3.348 1.00 0.00 C ATOM 431 C GLU A 54 -3.335 -12.723 -3.341 1.00 0.00 C ATOM 432 O GLU A 54 -2.433 -13.415 -2.869 1.00 0.00 O ATOM 433 CB GLU A 54 -4.955 -14.239 -4.474 1.00 0.00 C ATOM 434 CG GLU A 54 -6.319 -14.906 -4.488 1.00 0.00 C ATOM 435 CD GLU A 54 -6.419 -15.998 -5.530 1.00 0.00 C ATOM 436 OE1 GLU A 54 -6.070 -17.158 -5.221 1.00 0.00 O1- ATOM 437 OE2 GLU A 54 -6.844 -15.709 -6.665 1.00 0.00 O ATOM 0 H GLU A 54 -5.911 -11.864 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.992 -13.699 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.795 -13.742 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.187 -15.007 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.524 -15.327 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.085 -14.155 -4.679 1.00 0.00 H new ATOM 444 N THR A 55 -3.125 -11.527 -3.867 1.00 0.00 N ATOM 445 CA THR A 55 -1.792 -10.962 -3.957 1.00 0.00 C ATOM 446 C THR A 55 -1.752 -9.570 -3.325 1.00 0.00 C ATOM 447 O THR A 55 -2.738 -8.833 -3.387 1.00 0.00 O ATOM 448 CB THR A 55 -1.330 -10.891 -5.428 1.00 0.00 C ATOM 449 OG1 THR A 55 -1.564 -12.156 -6.066 1.00 0.00 O ATOM 450 CG2 THR A 55 0.147 -10.543 -5.527 1.00 0.00 C ATOM 0 H THR A 55 -3.863 -10.929 -4.238 1.00 0.00 H new ATOM 0 HA THR A 55 -1.111 -11.613 -3.409 1.00 0.00 H new ATOM 0 HB THR A 55 -1.901 -10.108 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.272 -12.110 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.441 -10.501 -6.576 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.324 -9.574 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.735 -11.305 -5.015 1.00 0.00 H new ATOM 458 N LEU A 56 -0.628 -9.226 -2.706 1.00 0.00 N ATOM 459 CA LEU A 56 -0.486 -7.952 -2.005 1.00 0.00 C ATOM 460 C LEU A 56 -0.772 -6.777 -2.942 1.00 0.00 C ATOM 461 O LEU A 56 -1.652 -5.952 -2.675 1.00 0.00 O ATOM 462 CB LEU A 56 0.932 -7.833 -1.433 1.00 0.00 C ATOM 463 CG LEU A 56 1.036 -7.260 -0.016 1.00 0.00 C ATOM 464 CD1 LEU A 56 0.414 -5.876 0.062 1.00 0.00 C ATOM 465 CD2 LEU A 56 0.389 -8.205 0.984 1.00 0.00 C ATOM 0 H LEU A 56 0.204 -9.815 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.211 -7.922 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.389 -8.822 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.521 -7.206 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 56 2.092 -7.161 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.502 -5.494 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.932 -5.205 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.639 -5.934 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.470 -7.785 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.663 -8.338 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.895 -9.170 0.953 1.00 0.00 H new ATOM 477 N ASP A 57 -0.043 -6.734 -4.051 1.00 0.00 N ATOM 478 CA ASP A 57 -0.176 -5.658 -5.032 1.00 0.00 C ATOM 479 C ASP A 57 -1.594 -5.607 -5.590 1.00 0.00 C ATOM 480 O ASP A 57 -2.127 -4.536 -5.873 1.00 0.00 O ATOM 481 CB ASP A 57 0.829 -5.861 -6.166 1.00 0.00 C ATOM 482 CG ASP A 57 0.772 -4.763 -7.207 1.00 0.00 C ATOM 483 OD1 ASP A 57 1.300 -3.663 -6.946 1.00 0.00 O1- ATOM 484 OD2 ASP A 57 0.223 -5.003 -8.305 1.00 0.00 O ATOM 0 H ASP A 57 0.653 -7.438 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 57 0.030 -4.710 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.835 -5.908 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.638 -6.821 -6.646 1.00 0.00 H new ATOM 489 N GLU A 58 -2.201 -6.778 -5.717 1.00 0.00 N ATOM 490 CA GLU A 58 -3.567 -6.894 -6.205 1.00 0.00 C ATOM 491 C GLU A 58 -4.533 -6.191 -5.255 1.00 0.00 C ATOM 492 O GLU A 58 -5.419 -5.453 -5.685 1.00 0.00 O ATOM 493 CB GLU A 58 -3.928 -8.373 -6.346 1.00 0.00 C ATOM 494 CG GLU A 58 -5.339 -8.630 -6.843 1.00 0.00 C ATOM 495 CD GLU A 58 -5.627 -10.109 -6.971 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.771 -10.786 -5.931 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -5.688 -10.612 -8.111 1.00 0.00 O ATOM 0 H GLU A 58 -1.763 -7.670 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.646 -6.413 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.223 -8.843 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.803 -8.859 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.055 -8.178 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.477 -8.147 -7.810 1.00 0.00 H new ATOM 504 N ALA A 59 -4.337 -6.403 -3.958 1.00 0.00 N ATOM 505 CA ALA A 59 -5.148 -5.746 -2.941 1.00 0.00 C ATOM 506 C ALA A 59 -4.970 -4.239 -3.009 1.00 0.00 C ATOM 507 O ALA A 59 -5.927 -3.478 -2.868 1.00 0.00 O ATOM 508 CB ALA A 59 -4.775 -6.250 -1.558 1.00 0.00 C ATOM 0 H ALA A 59 -3.621 -7.027 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.194 -5.984 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.390 -5.749 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.943 -7.326 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.724 -6.037 -1.365 1.00 0.00 H new ATOM 514 N LEU A 60 -3.730 -3.824 -3.227 1.00 0.00 N ATOM 515 CA LEU A 60 -3.398 -2.416 -3.370 1.00 0.00 C ATOM 516 C LEU A 60 -4.147 -1.805 -4.552 1.00 0.00 C ATOM 517 O LEU A 60 -4.652 -0.684 -4.469 1.00 0.00 O ATOM 518 CB LEU A 60 -1.884 -2.260 -3.542 1.00 0.00 C ATOM 519 CG LEU A 60 -1.387 -0.843 -3.841 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.913 0.143 -2.812 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.134 -0.818 -3.866 1.00 0.00 C ATOM 0 H LEU A 60 -2.930 -4.452 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.706 -1.883 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.397 -2.611 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.560 -2.916 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.763 -0.546 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.547 1.143 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.003 0.142 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.568 -0.148 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.478 0.194 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.519 -1.135 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.496 -1.495 -4.640 1.00 0.00 H new ATOM 533 N GLU A 61 -4.226 -2.553 -5.645 1.00 0.00 N ATOM 534 CA GLU A 61 -4.957 -2.106 -6.820 1.00 0.00 C ATOM 535 C GLU A 61 -6.445 -1.988 -6.522 1.00 0.00 C ATOM 536 O GLU A 61 -7.070 -0.984 -6.855 1.00 0.00 O ATOM 537 CB GLU A 61 -4.755 -3.069 -7.984 1.00 0.00 C ATOM 538 CG GLU A 61 -3.323 -3.151 -8.476 1.00 0.00 C ATOM 539 CD GLU A 61 -3.216 -3.910 -9.777 1.00 0.00 C ATOM 540 OE1 GLU A 61 -3.352 -5.150 -9.763 1.00 0.00 O1- ATOM 541 OE2 GLU A 61 -3.011 -3.267 -10.827 1.00 0.00 O ATOM 0 H GLU A 61 -3.793 -3.471 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.567 -1.125 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.081 -4.064 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.395 -2.762 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.927 -2.144 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.707 -3.638 -7.720 1.00 0.00 H new ATOM 548 N LEU A 62 -7.002 -3.014 -5.888 1.00 0.00 N ATOM 549 CA LEU A 62 -8.432 -3.058 -5.611 1.00 0.00 C ATOM 550 C LEU A 62 -8.845 -1.959 -4.642 1.00 0.00 C ATOM 551 O LEU A 62 -9.909 -1.368 -4.798 1.00 0.00 O ATOM 552 CB LEU A 62 -8.840 -4.422 -5.051 1.00 0.00 C ATOM 553 CG LEU A 62 -8.533 -5.620 -5.952 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.035 -6.907 -5.318 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.149 -5.428 -7.330 1.00 0.00 C ATOM 0 H LEU A 62 -6.484 -3.827 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.948 -2.896 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.336 -4.569 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.911 -4.407 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.452 -5.692 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.808 -7.748 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.545 -7.054 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.113 -6.843 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.919 -6.291 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.230 -5.327 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.740 -4.528 -7.789 1.00 0.00 H new ATOM 567 N ALA A 63 -8.005 -1.678 -3.651 1.00 0.00 N ATOM 568 CA ALA A 63 -8.298 -0.624 -2.683 1.00 0.00 C ATOM 569 C ALA A 63 -8.651 0.677 -3.395 1.00 0.00 C ATOM 570 O ALA A 63 -9.579 1.382 -3.005 1.00 0.00 O ATOM 571 CB ALA A 63 -7.122 -0.418 -1.742 1.00 0.00 C ATOM 0 H ALA A 63 -7.120 -2.162 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.159 -0.934 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.360 0.371 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.920 -1.344 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.241 -0.133 -2.317 1.00 0.00 H new ATOM 577 N GLU A 64 -7.909 0.979 -4.448 1.00 0.00 N ATOM 578 CA GLU A 64 -8.202 2.129 -5.286 1.00 0.00 C ATOM 579 C GLU A 64 -9.306 1.811 -6.295 1.00 0.00 C ATOM 580 O GLU A 64 -10.428 2.312 -6.192 1.00 0.00 O ATOM 581 CB GLU A 64 -6.940 2.567 -6.037 1.00 0.00 C ATOM 582 CG GLU A 64 -7.201 3.632 -7.093 1.00 0.00 C ATOM 583 CD GLU A 64 -6.103 3.712 -8.135 1.00 0.00 C ATOM 584 OE1 GLU A 64 -6.017 2.798 -8.990 1.00 0.00 O ATOM 585 OE2 GLU A 64 -5.349 4.702 -8.132 1.00 0.00 O1- ATOM 0 H GLU A 64 -7.095 0.440 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.545 2.936 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.214 2.948 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.490 1.696 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.149 3.421 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.304 4.602 -6.606 1.00 0.00 H new ATOM 592 N TRP A 65 -8.980 0.938 -7.239 1.00 0.00 N ATOM 593 CA TRP A 65 -9.776 0.742 -8.446 1.00 0.00 C ATOM 594 C TRP A 65 -11.174 0.196 -8.162 1.00 0.00 C ATOM 595 O TRP A 65 -12.092 0.404 -8.948 1.00 0.00 O ATOM 596 CB TRP A 65 -9.039 -0.190 -9.402 1.00 0.00 C ATOM 597 CG TRP A 65 -8.870 0.391 -10.771 1.00 0.00 C ATOM 598 CD1 TRP A 65 -7.885 1.243 -11.183 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.716 0.173 -11.905 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.062 1.558 -12.508 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.180 0.916 -12.975 1.00 0.00 C ATOM 602 CE3 TRP A 65 -10.873 -0.581 -12.122 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -9.760 0.923 -14.240 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.450 -0.570 -13.378 1.00 0.00 C ATOM 605 CH2 TRP A 65 -10.892 0.177 -14.424 1.00 0.00 C ATOM 0 H TRP A 65 -8.153 0.343 -7.190 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.910 1.724 -8.901 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.058 -0.423 -8.989 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.585 -1.130 -9.477 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.085 1.614 -10.559 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.459 2.171 -13.056 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -11.308 -1.162 -11.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.332 1.497 -15.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -12.346 -1.147 -13.556 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.365 0.164 -15.395 1.00 0.00 H new ATOM 616 N GLN A 66 -11.335 -0.504 -7.052 1.00 0.00 N ATOM 617 CA GLN A 66 -12.632 -1.063 -6.695 1.00 0.00 C ATOM 618 C GLN A 66 -13.499 -0.020 -5.990 1.00 0.00 C ATOM 619 O GLN A 66 -14.723 -0.016 -6.126 1.00 0.00 O ATOM 620 CB GLN A 66 -12.448 -2.297 -5.798 1.00 0.00 C ATOM 621 CG GLN A 66 -13.748 -2.897 -5.289 1.00 0.00 C ATOM 622 CD GLN A 66 -13.525 -4.075 -4.360 1.00 0.00 C ATOM 623 OE1 GLN A 66 -12.539 -4.800 -4.478 1.00 0.00 O ATOM 624 NE2 GLN A 66 -14.445 -4.277 -3.430 1.00 0.00 N ATOM 0 H GLN A 66 -10.589 -0.699 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.139 -1.364 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.903 -3.059 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.829 -2.022 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.317 -2.129 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.352 -3.218 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.249 -3.653 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.350 -5.057 -2.779 1.00 0.00 H new ATOM 633 N TYR A 67 -12.857 0.880 -5.257 1.00 0.00 N ATOM 634 CA TYR A 67 -13.575 1.806 -4.389 1.00 0.00 C ATOM 635 C TYR A 67 -13.830 3.162 -5.037 1.00 0.00 C ATOM 636 O TYR A 67 -14.848 3.802 -4.761 1.00 0.00 O ATOM 637 CB TYR A 67 -12.821 1.972 -3.073 1.00 0.00 C ATOM 638 CG TYR A 67 -12.956 0.759 -2.184 1.00 0.00 C ATOM 639 CD1 TYR A 67 -12.119 -0.335 -2.339 1.00 0.00 C ATOM 640 CD2 TYR A 67 -13.939 0.702 -1.204 1.00 0.00 C ATOM 641 CE1 TYR A 67 -12.256 -1.453 -1.544 1.00 0.00 C ATOM 642 CE2 TYR A 67 -14.079 -0.413 -0.404 1.00 0.00 C ATOM 643 CZ TYR A 67 -13.235 -1.486 -0.577 1.00 0.00 C ATOM 644 OH TYR A 67 -13.374 -2.603 0.214 1.00 0.00 O ATOM 0 H TYR A 67 -11.843 0.989 -5.245 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.556 1.371 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.766 2.153 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.198 2.850 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.347 -0.311 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.603 1.543 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.598 -2.299 -1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.847 -0.444 0.354 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.882 -3.350 -0.186 1.00 0.00 H new ATOM 654 N VAL A 68 -12.931 3.604 -5.904 1.00 0.00 N ATOM 655 CA VAL A 68 -13.076 4.919 -6.520 1.00 0.00 C ATOM 656 C VAL A 68 -14.322 5.036 -7.429 1.00 0.00 C ATOM 657 O VAL A 68 -14.954 6.094 -7.441 1.00 0.00 O ATOM 658 CB VAL A 68 -11.795 5.379 -7.262 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.645 5.501 -6.275 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.417 4.448 -8.405 1.00 0.00 C ATOM 0 H VAL A 68 -12.104 3.082 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.232 5.603 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.005 6.353 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.747 5.825 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.900 6.233 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.463 4.533 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.513 4.816 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.237 3.447 -8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.230 4.413 -9.130 1.00 0.00 H new ATOM 670 N PRO A 69 -14.744 3.980 -8.179 1.00 0.00 N ATOM 671 CA PRO A 69 -15.966 4.048 -8.986 1.00 0.00 C ATOM 672 C PRO A 69 -17.216 3.935 -8.121 1.00 0.00 C ATOM 673 O PRO A 69 -18.335 4.159 -8.585 1.00 0.00 O ATOM 674 CB PRO A 69 -15.865 2.841 -9.932 1.00 0.00 C ATOM 675 CG PRO A 69 -14.496 2.287 -9.731 1.00 0.00 C ATOM 676 CD PRO A 69 -14.104 2.666 -8.336 1.00 0.00 C ATOM 0 HA PRO A 69 -16.049 4.998 -9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.627 2.097 -9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.018 3.142 -10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.489 1.205 -9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.797 2.698 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.466 1.946 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.022 2.724 -8.219 1.00 0.00 H new ATOM 684 N ALA A 70 -17.015 3.580 -6.858 1.00 0.00 N ATOM 685 CA ALA A 70 -18.112 3.475 -5.908 1.00 0.00 C ATOM 686 C ALA A 70 -18.322 4.806 -5.193 1.00 0.00 C ATOM 687 O ALA A 70 -19.273 4.977 -4.431 1.00 0.00 O ATOM 688 CB ALA A 70 -17.843 2.360 -4.907 1.00 0.00 C ATOM 0 H ALA A 70 -16.099 3.360 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 70 -19.024 3.231 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -18.673 2.295 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -17.741 1.413 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.923 2.573 -4.363 1.00 0.00 H new ATOM 694 N GLY A 71 -17.430 5.753 -5.453 1.00 0.00 N ATOM 695 CA GLY A 71 -17.560 7.073 -4.870 1.00 0.00 C ATOM 696 C GLY A 71 -16.769 7.224 -3.592 1.00 0.00 C ATOM 697 O GLY A 71 -17.121 8.020 -2.723 1.00 0.00 O ATOM 0 H GLY A 71 -16.618 5.630 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.225 7.819 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.612 7.275 -4.668 1.00 0.00 H new ATOM 701 N PHE A 72 -15.701 6.457 -3.473 1.00 0.00 N ATOM 702 CA PHE A 72 -14.864 6.500 -2.288 1.00 0.00 C ATOM 703 C PHE A 72 -13.502 7.094 -2.598 1.00 0.00 C ATOM 704 O PHE A 72 -12.800 6.628 -3.497 1.00 0.00 O ATOM 705 CB PHE A 72 -14.686 5.096 -1.704 1.00 0.00 C ATOM 706 CG PHE A 72 -15.912 4.560 -1.026 1.00 0.00 C ATOM 707 CD1 PHE A 72 -16.948 4.007 -1.762 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.029 4.613 0.350 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.077 3.516 -1.137 1.00 0.00 C ATOM 710 CE2 PHE A 72 -17.154 4.125 0.982 1.00 0.00 C ATOM 711 CZ PHE A 72 -18.180 3.575 0.239 1.00 0.00 C ATOM 0 H PHE A 72 -15.392 5.795 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.364 7.135 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.398 4.414 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.864 5.112 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.871 3.960 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.230 5.041 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.877 3.087 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -17.232 4.173 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 72 -19.061 3.192 0.733 1.00 0.00 H new ATOM 721 N GLU A 73 -13.141 8.137 -1.869 1.00 0.00 N ATOM 722 CA GLU A 73 -11.781 8.633 -1.894 1.00 0.00 C ATOM 723 C GLU A 73 -11.003 7.948 -0.788 1.00 0.00 C ATOM 724 O GLU A 73 -11.289 8.122 0.396 1.00 0.00 O ATOM 725 CB GLU A 73 -11.725 10.155 -1.736 1.00 0.00 C ATOM 726 CG GLU A 73 -10.319 10.706 -1.499 1.00 0.00 C ATOM 727 CD GLU A 73 -9.336 10.407 -2.624 1.00 0.00 C ATOM 728 OE1 GLU A 73 -9.226 11.226 -3.560 1.00 0.00 O1- ATOM 729 OE2 GLU A 73 -8.631 9.377 -2.556 1.00 0.00 O ATOM 0 H GLU A 73 -13.771 8.653 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.337 8.406 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.139 10.618 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.363 10.447 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.382 11.786 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.929 10.290 -0.570 1.00 0.00 H new ATOM 736 N VAL A 74 -10.055 7.135 -1.194 1.00 0.00 N ATOM 737 CA VAL A 74 -9.226 6.390 -0.270 1.00 0.00 C ATOM 738 C VAL A 74 -8.363 7.333 0.570 1.00 0.00 C ATOM 739 O VAL A 74 -8.199 8.507 0.237 1.00 0.00 O ATOM 740 CB VAL A 74 -8.322 5.412 -1.048 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.143 4.281 -1.642 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.580 6.139 -2.160 1.00 0.00 C ATOM 0 H VAL A 74 -9.835 6.970 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.878 5.829 0.400 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.597 4.996 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.487 3.602 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.645 3.737 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.888 4.691 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.947 5.433 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.300 6.580 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.961 6.926 -1.730 1.00 0.00 H new ATOM 752 N THR A 75 -7.827 6.819 1.664 1.00 0.00 N ATOM 753 CA THR A 75 -6.939 7.589 2.525 1.00 0.00 C ATOM 754 C THR A 75 -5.614 6.856 2.703 1.00 0.00 C ATOM 755 O THR A 75 -4.555 7.372 2.354 1.00 0.00 O ATOM 756 CB THR A 75 -7.583 7.832 3.902 1.00 0.00 C ATOM 757 OG1 THR A 75 -8.794 8.574 3.747 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.641 8.580 4.834 1.00 0.00 C ATOM 0 H THR A 75 -7.992 5.864 1.981 1.00 0.00 H new ATOM 0 HA THR A 75 -6.759 8.553 2.049 1.00 0.00 H new ATOM 0 HB THR A 75 -7.799 6.861 4.347 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.607 9.409 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.128 8.734 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.731 7.997 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.388 9.546 4.397 1.00 0.00 H new ATOM 766 N ARG A 76 -5.693 5.645 3.228 1.00 0.00 N ATOM 767 CA ARG A 76 -4.526 4.799 3.445 1.00 0.00 C ATOM 768 C ARG A 76 -4.969 3.345 3.484 1.00 0.00 C ATOM 769 O ARG A 76 -6.143 3.053 3.288 1.00 0.00 O ATOM 770 CB ARG A 76 -3.797 5.164 4.747 1.00 0.00 C ATOM 771 CG ARG A 76 -2.886 6.376 4.625 1.00 0.00 C ATOM 772 CD ARG A 76 -1.822 6.394 5.711 1.00 0.00 C ATOM 773 NE ARG A 76 -0.891 5.264 5.587 1.00 0.00 N ATOM 774 CZ ARG A 76 0.047 4.965 6.489 1.00 0.00 C ATOM 775 NH1 ARG A 76 0.194 5.716 7.573 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 0.843 3.918 6.306 1.00 0.00 N ATOM 0 H ARG A 76 -6.572 5.217 3.518 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.826 4.956 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.537 5.355 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.205 4.308 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.406 6.373 3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.482 7.286 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.266 7.330 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.302 6.363 6.689 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.966 4.671 4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.411 6.524 7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.912 5.485 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.739 3.338 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.558 3.694 6.998 1.00 0.00 H new ATOM 790 N VAL A 77 -4.037 2.439 3.710 1.00 0.00 N ATOM 791 CA VAL A 77 -4.365 1.027 3.835 1.00 0.00 C ATOM 792 C VAL A 77 -3.304 0.340 4.676 1.00 0.00 C ATOM 793 O VAL A 77 -2.134 0.706 4.615 1.00 0.00 O ATOM 794 CB VAL A 77 -4.477 0.341 2.448 1.00 0.00 C ATOM 795 CG1 VAL A 77 -3.150 0.377 1.716 1.00 0.00 C ATOM 796 CG2 VAL A 77 -4.969 -1.094 2.576 1.00 0.00 C ATOM 0 H VAL A 77 -3.045 2.653 3.811 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.337 0.941 4.321 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.210 0.901 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.256 -0.110 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.843 1.413 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.396 -0.145 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.036 -1.545 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.271 -1.665 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.953 -1.101 3.045 1.00 0.00 H new ATOM 806 N ARG A 78 -3.708 -0.620 5.487 1.00 0.00 N ATOM 807 CA ARG A 78 -2.755 -1.369 6.283 1.00 0.00 C ATOM 808 C ARG A 78 -2.794 -2.846 5.911 1.00 0.00 C ATOM 809 O ARG A 78 -3.636 -3.599 6.403 1.00 0.00 O ATOM 810 CB ARG A 78 -3.025 -1.192 7.779 1.00 0.00 C ATOM 811 CG ARG A 78 -1.873 -1.673 8.644 1.00 0.00 C ATOM 812 CD ARG A 78 -2.155 -1.491 10.125 1.00 0.00 C ATOM 813 NE ARG A 78 -0.968 -1.769 10.932 1.00 0.00 N ATOM 814 CZ ARG A 78 -0.940 -2.601 11.973 1.00 0.00 C ATOM 815 NH1 ARG A 78 -2.043 -3.235 12.358 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 0.195 -2.793 12.634 1.00 0.00 N ATOM 0 H ARG A 78 -4.682 -0.898 5.611 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.760 -0.978 6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.215 -0.139 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.929 -1.739 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.682 -2.726 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.968 -1.127 8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.492 -0.471 10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.966 -2.154 10.427 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.101 -1.293 10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.918 -3.086 11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.014 -3.870 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.042 -2.304 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.220 -3.429 13.431 1.00 0.00 H new ATOM 830 N PRO A 79 -1.912 -3.263 4.994 1.00 0.00 N ATOM 831 CA PRO A 79 -1.731 -4.664 4.634 1.00 0.00 C ATOM 832 C PRO A 79 -0.848 -5.379 5.648 1.00 0.00 C ATOM 833 O PRO A 79 0.239 -4.898 5.972 1.00 0.00 O ATOM 834 CB PRO A 79 -1.021 -4.604 3.268 1.00 0.00 C ATOM 835 CG PRO A 79 -0.918 -3.153 2.917 1.00 0.00 C ATOM 836 CD PRO A 79 -1.024 -2.402 4.211 1.00 0.00 C ATOM 0 HA PRO A 79 -2.674 -5.210 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.034 -5.063 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.585 -5.149 2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.028 -2.939 2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.713 -2.861 2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.053 -2.276 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.442 -1.405 4.071 1.00 0.00 H new ATOM 844 N CYS A 80 -1.299 -6.515 6.158 1.00 0.00 N ATOM 845 CA CYS A 80 -0.498 -7.252 7.119 1.00 0.00 C ATOM 846 C CYS A 80 0.641 -7.986 6.409 1.00 0.00 C ATOM 847 O CYS A 80 0.516 -9.148 6.016 1.00 0.00 O ATOM 848 CB CYS A 80 -1.372 -8.231 7.914 1.00 0.00 C ATOM 849 SG CYS A 80 -2.195 -9.487 6.909 1.00 0.00 S ATOM 0 H CYS A 80 -2.198 -6.939 5.928 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.061 -6.544 7.824 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.752 -8.729 8.659 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.129 -7.664 8.456 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.372 -9.925 6.003 1.00 0.00 H new ATOM 855 N VAL A 81 1.749 -7.284 6.232 1.00 0.00 N ATOM 856 CA VAL A 81 2.951 -7.879 5.668 1.00 0.00 C ATOM 857 C VAL A 81 3.977 -8.107 6.770 1.00 0.00 C ATOM 858 O VAL A 81 4.072 -9.199 7.327 1.00 0.00 O ATOM 859 CB VAL A 81 3.575 -6.994 4.561 1.00 0.00 C ATOM 860 CG1 VAL A 81 4.783 -7.678 3.937 1.00 0.00 C ATOM 861 CG2 VAL A 81 2.548 -6.653 3.496 1.00 0.00 C ATOM 0 H VAL A 81 1.841 -6.297 6.472 1.00 0.00 H new ATOM 0 HA VAL A 81 2.665 -8.828 5.215 1.00 0.00 H new ATOM 0 HB VAL A 81 3.908 -6.065 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.204 -7.037 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.535 -7.861 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.477 -8.627 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.011 -6.031 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.176 -7.571 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.718 -6.112 3.951 1.00 0.00 H new ATOM 871 N ALA A 82 4.726 -7.065 7.087 1.00 0.00 N ATOM 872 CA ALA A 82 5.702 -7.117 8.164 1.00 0.00 C ATOM 873 C ALA A 82 5.200 -6.373 9.409 1.00 0.00 C ATOM 874 O ALA A 82 5.243 -6.930 10.507 1.00 0.00 O ATOM 875 CB ALA A 82 7.047 -6.575 7.695 1.00 0.00 C ATOM 0 H ALA A 82 4.676 -6.165 6.610 1.00 0.00 H new ATOM 0 HA ALA A 82 5.840 -8.161 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.764 -6.622 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.410 -7.175 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.930 -5.540 7.374 1.00 0.00 H new ATOM 881 N PRO A 83 4.727 -5.103 9.279 1.00 0.00 N ATOM 882 CA PRO A 83 4.135 -4.375 10.408 1.00 0.00 C ATOM 883 C PRO A 83 2.944 -5.114 11.011 1.00 0.00 C ATOM 884 O PRO A 83 2.066 -5.601 10.294 1.00 0.00 O ATOM 885 CB PRO A 83 3.683 -3.037 9.803 1.00 0.00 C ATOM 886 CG PRO A 83 3.683 -3.252 8.330 1.00 0.00 C ATOM 887 CD PRO A 83 4.760 -4.260 8.067 1.00 0.00 C ATOM 0 HA PRO A 83 4.849 -4.259 11.224 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.691 -2.759 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.360 -2.230 10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.714 -3.616 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.880 -2.321 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.559 -4.840 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.732 -3.786 7.931 1.00 0.00 H new ATOM 895 N LYS A 84 2.932 -5.201 12.331 1.00 0.00 N ATOM 896 CA LYS A 84 1.877 -5.894 13.052 1.00 0.00 C ATOM 897 C LYS A 84 1.730 -5.312 14.453 1.00 0.00 C ATOM 898 O LYS A 84 2.502 -5.701 15.350 1.00 0.00 O ATOM 899 CB LYS A 84 2.163 -7.402 13.103 1.00 0.00 C ATOM 900 CG LYS A 84 3.607 -7.751 13.436 1.00 0.00 C ATOM 901 CD LYS A 84 3.875 -9.243 13.315 1.00 0.00 C ATOM 902 CE LYS A 84 3.096 -10.042 14.346 1.00 0.00 C ATOM 903 NZ LYS A 84 3.374 -11.497 14.238 1.00 0.00 N1+ ATOM 904 OXT LYS A 84 0.861 -4.436 14.640 1.00 0.00 O ATOM 0 H LYS A 84 3.650 -4.795 12.931 1.00 0.00 H new ATOM 0 HA LYS A 84 0.934 -5.751 12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.510 -7.860 13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.907 -7.842 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.275 -7.207 12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.835 -7.423 14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.606 -9.581 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.941 -9.432 13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.355 -9.695 15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.029 -9.865 14.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.825 -12.010 14.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.104 -11.833 13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.388 -11.669 14.390 1.00 0.00 H new TER 918 LYS A 84 ATOM 919 N PRO B 24 9.604 0.171 12.645 1.00 0.00 N ATOM 920 CA PRO B 24 10.029 0.672 11.325 1.00 0.00 C ATOM 921 C PRO B 24 9.710 2.149 11.181 1.00 0.00 C ATOM 922 O PRO B 24 8.579 2.578 11.416 1.00 0.00 O ATOM 923 CB PRO B 24 9.325 -0.126 10.240 1.00 0.00 C ATOM 924 CG PRO B 24 8.413 -1.021 11.001 1.00 0.00 C ATOM 925 CD PRO B 24 9.000 -1.145 12.388 1.00 0.00 C ATOM 0 HA PRO B 24 11.108 0.551 11.228 1.00 0.00 H new ATOM 0 HB2 PRO B 24 8.774 0.523 9.559 1.00 0.00 H new ATOM 0 HB3 PRO B 24 10.033 -0.694 9.637 1.00 0.00 H new ATOM 0 HG2 PRO B 24 7.406 -0.607 11.041 1.00 0.00 H new ATOM 0 HG3 PRO B 24 8.337 -1.997 10.522 1.00 0.00 H new ATOM 0 HD2 PRO B 24 8.233 -1.381 13.125 1.00 0.00 H new ATOM 0 HD3 PRO B 24 9.744 -1.940 12.436 1.00 0.00 H new ATOM 933 N ALA B 25 10.717 2.921 10.811 1.00 0.00 N ATOM 934 CA ALA B 25 10.538 4.337 10.552 1.00 0.00 C ATOM 935 C ALA B 25 10.357 4.568 9.056 1.00 0.00 C ATOM 936 O ALA B 25 9.900 3.674 8.342 1.00 0.00 O ATOM 937 CB ALA B 25 11.721 5.127 11.092 1.00 0.00 C ATOM 0 H ALA B 25 11.672 2.587 10.683 1.00 0.00 H new ATOM 0 HA ALA B 25 9.642 4.687 11.065 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.573 6.188 10.890 1.00 0.00 H new ATOM 0 HB2 ALA B 25 11.803 4.970 12.168 1.00 0.00 H new ATOM 0 HB3 ALA B 25 12.636 4.790 10.605 1.00 0.00 H new ATOM 943 N ILE B 26 10.700 5.758 8.583 1.00 0.00 N ATOM 944 CA ILE B 26 10.623 6.063 7.160 1.00 0.00 C ATOM 945 C ILE B 26 11.733 5.327 6.413 1.00 0.00 C ATOM 946 O ILE B 26 12.814 5.871 6.165 1.00 0.00 O ATOM 947 CB ILE B 26 10.722 7.584 6.904 1.00 0.00 C ATOM 948 CG1 ILE B 26 9.815 8.341 7.881 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.335 7.915 5.467 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.362 7.913 7.826 1.00 0.00 C ATOM 0 H ILE B 26 11.034 6.528 9.163 1.00 0.00 H new ATOM 0 HA ILE B 26 9.654 5.727 6.791 1.00 0.00 H new ATOM 0 HB ILE B 26 11.755 7.894 7.063 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.188 8.196 8.895 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.878 9.408 7.668 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.412 8.991 5.308 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.006 7.398 4.781 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.310 7.593 5.283 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.784 8.493 8.545 1.00 0.00 H new ATOM 0 HD12 ILE B 26 7.970 8.084 6.823 1.00 0.00 H new ATOM 0 HD13 ILE B 26 8.285 6.853 8.070 1.00 0.00 H new ATOM 962 N LEU B 27 11.464 4.071 6.089 1.00 0.00 N ATOM 963 CA LEU B 27 12.446 3.212 5.456 1.00 0.00 C ATOM 964 C LEU B 27 11.778 2.261 4.474 1.00 0.00 C ATOM 965 O LEU B 27 10.576 2.001 4.560 1.00 0.00 O ATOM 966 CB LEU B 27 13.222 2.432 6.530 1.00 0.00 C ATOM 967 CG LEU B 27 12.379 1.625 7.533 1.00 0.00 C ATOM 968 CD1 LEU B 27 11.979 0.271 6.966 1.00 0.00 C ATOM 969 CD2 LEU B 27 13.135 1.445 8.838 1.00 0.00 C ATOM 0 H LEU B 27 10.563 3.623 6.257 1.00 0.00 H new ATOM 0 HA LEU B 27 13.147 3.831 4.895 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.904 1.746 6.028 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.835 3.139 7.090 1.00 0.00 H new ATOM 0 HG LEU B 27 11.467 2.189 7.726 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.385 -0.271 7.702 1.00 0.00 H new ATOM 0 HD12 LEU B 27 11.391 0.415 6.060 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.875 -0.303 6.729 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.525 0.872 9.536 1.00 0.00 H new ATOM 0 HD22 LEU B 27 14.066 0.912 8.648 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.357 2.422 9.267 1.00 0.00 H new ATOM 981 N ALA B 28 12.556 1.764 3.521 1.00 0.00 N ATOM 982 CA ALA B 28 12.070 0.751 2.603 1.00 0.00 C ATOM 983 C ALA B 28 12.121 -0.608 3.289 1.00 0.00 C ATOM 984 O ALA B 28 13.180 -1.035 3.751 1.00 0.00 O ATOM 985 CB ALA B 28 12.901 0.732 1.327 1.00 0.00 C ATOM 0 H ALA B 28 13.524 2.047 3.366 1.00 0.00 H new ATOM 0 HA ALA B 28 11.041 0.983 2.327 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.518 -0.035 0.655 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.841 1.705 0.839 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.940 0.513 1.573 1.00 0.00 H new ATOM 991 N GLU B 29 10.969 -1.270 3.370 1.00 0.00 N ATOM 992 CA GLU B 29 10.850 -2.540 4.086 1.00 0.00 C ATOM 993 C GLU B 29 11.734 -3.613 3.452 1.00 0.00 C ATOM 994 O GLU B 29 12.183 -4.545 4.122 1.00 0.00 O ATOM 995 CB GLU B 29 9.391 -3.002 4.079 1.00 0.00 C ATOM 996 CG GLU B 29 9.073 -4.056 5.129 1.00 0.00 C ATOM 997 CD GLU B 29 9.050 -3.489 6.537 1.00 0.00 C ATOM 998 OE1 GLU B 29 10.132 -3.208 7.090 1.00 0.00 O ATOM 999 OE2 GLU B 29 7.947 -3.327 7.099 1.00 0.00 O1- ATOM 0 H GLU B 29 10.099 -0.946 2.946 1.00 0.00 H new ATOM 0 HA GLU B 29 11.182 -2.386 5.113 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.746 -2.138 4.239 1.00 0.00 H new ATOM 0 HB3 GLU B 29 9.151 -3.401 3.093 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.105 -4.505 4.906 1.00 0.00 H new ATOM 0 HG3 GLU B 29 9.814 -4.853 5.074 1.00 0.00 H new ATOM 1006 N ILE B 30 11.982 -3.473 2.158 1.00 0.00 N ATOM 1007 CA ILE B 30 12.794 -4.428 1.420 1.00 0.00 C ATOM 1008 C ILE B 30 13.821 -3.709 0.558 1.00 0.00 C ATOM 1009 O ILE B 30 13.658 -2.533 0.228 1.00 0.00 O ATOM 1010 CB ILE B 30 11.923 -5.336 0.524 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.907 -4.498 -0.257 1.00 0.00 C ATOM 1012 CG2 ILE B 30 11.221 -6.396 1.357 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.997 -5.314 -1.147 1.00 0.00 C ATOM 0 H ILE B 30 11.629 -2.700 1.594 1.00 0.00 H new ATOM 0 HA ILE B 30 13.307 -5.049 2.154 1.00 0.00 H new ATOM 0 HB ILE B 30 12.572 -5.842 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE B 30 10.298 -3.933 0.448 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.443 -3.772 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.613 -7.025 0.707 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.964 -7.011 1.865 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.582 -5.913 2.097 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.306 -4.650 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.595 -5.859 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.433 -6.022 -0.539 1.00 0.00 H new ATOM 1025 N SER B 31 14.881 -4.421 0.211 1.00 0.00 N ATOM 1026 CA SER B 31 15.948 -3.867 -0.599 1.00 0.00 C ATOM 1027 C SER B 31 15.628 -4.005 -2.082 1.00 0.00 C ATOM 1028 O SER B 31 15.416 -5.113 -2.583 1.00 0.00 O ATOM 1029 CB SER B 31 17.257 -4.587 -0.265 1.00 0.00 C ATOM 1030 OG SER B 31 17.037 -5.983 -0.113 1.00 0.00 O ATOM 0 H SER B 31 15.024 -5.394 0.482 1.00 0.00 H new ATOM 0 HA SER B 31 16.051 -2.805 -0.378 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.986 -4.413 -1.056 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.679 -4.178 0.653 1.00 0.00 H new ATOM 0 HG SER B 31 17.776 -6.377 0.396 1.00 0.00 H new ATOM 1036 N GLY B 32 15.590 -2.881 -2.779 1.00 0.00 N ATOM 1037 CA GLY B 32 15.334 -2.912 -4.197 1.00 0.00 C ATOM 1038 C GLY B 32 15.021 -1.551 -4.763 1.00 0.00 C ATOM 1039 O GLY B 32 15.481 -0.534 -4.248 1.00 0.00 O ATOM 0 H GLY B 32 15.732 -1.950 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY B 32 16.204 -3.323 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.500 -3.584 -4.396 1.00 0.00 H new ATOM 1043 N ILE B 33 14.241 -1.537 -5.824 1.00 0.00 N ATOM 1044 CA ILE B 33 13.871 -0.308 -6.493 1.00 0.00 C ATOM 1045 C ILE B 33 12.478 0.121 -6.056 1.00 0.00 C ATOM 1046 O ILE B 33 11.487 -0.502 -6.431 1.00 0.00 O ATOM 1047 CB ILE B 33 13.878 -0.490 -8.026 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.233 -1.021 -8.505 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.539 0.819 -8.723 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.386 -0.057 -8.302 1.00 0.00 C ATOM 0 H ILE B 33 13.846 -2.377 -6.246 1.00 0.00 H new ATOM 0 HA ILE B 33 14.601 0.455 -6.222 1.00 0.00 H new ATOM 0 HB ILE B 33 13.115 -1.224 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.453 -1.949 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.161 -1.265 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.549 0.670 -9.803 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.548 1.151 -8.412 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.276 1.576 -8.455 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.308 -0.510 -8.667 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.191 0.864 -8.852 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.489 0.169 -7.241 1.00 0.00 H new ATOM 1062 N VAL B 34 12.400 1.167 -5.255 1.00 0.00 N ATOM 1063 CA VAL B 34 11.109 1.694 -4.852 1.00 0.00 C ATOM 1064 C VAL B 34 10.493 2.467 -6.007 1.00 0.00 C ATOM 1065 O VAL B 34 11.162 3.266 -6.655 1.00 0.00 O ATOM 1066 CB VAL B 34 11.211 2.591 -3.597 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.223 3.702 -3.803 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.850 3.171 -3.233 1.00 0.00 C ATOM 0 H VAL B 34 13.205 1.664 -4.874 1.00 0.00 H new ATOM 0 HA VAL B 34 10.470 0.851 -4.590 1.00 0.00 H new ATOM 0 HB VAL B 34 11.552 1.969 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.275 4.318 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.203 3.269 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL B 34 11.919 4.319 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.947 3.798 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.476 3.770 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL B 34 9.152 2.360 -3.028 1.00 0.00 H new ATOM 1078 N SER B 35 9.234 2.202 -6.290 1.00 0.00 N ATOM 1079 CA SER B 35 8.564 2.855 -7.392 1.00 0.00 C ATOM 1080 C SER B 35 7.156 3.274 -6.996 1.00 0.00 C ATOM 1081 O SER B 35 6.627 2.822 -5.978 1.00 0.00 O ATOM 1082 CB SER B 35 8.542 1.930 -8.610 1.00 0.00 C ATOM 1083 OG SER B 35 8.157 0.609 -8.253 1.00 0.00 O ATOM 0 H SER B 35 8.656 1.540 -5.772 1.00 0.00 H new ATOM 0 HA SER B 35 9.115 3.758 -7.654 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.850 2.323 -9.355 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.529 1.910 -9.071 1.00 0.00 H new ATOM 0 HG SER B 35 8.022 0.558 -7.284 1.00 0.00 H new ATOM 1089 N PHE B 36 6.562 4.146 -7.795 1.00 0.00 N ATOM 1090 CA PHE B 36 5.231 4.654 -7.516 1.00 0.00 C ATOM 1091 C PHE B 36 4.318 4.396 -8.703 1.00 0.00 C ATOM 1092 O PHE B 36 4.782 4.274 -9.837 1.00 0.00 O ATOM 1093 CB PHE B 36 5.272 6.154 -7.214 1.00 0.00 C ATOM 1094 CG PHE B 36 6.147 6.532 -6.050 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.130 5.798 -4.874 1.00 0.00 C ATOM 1096 CD2 PHE B 36 6.982 7.634 -6.133 1.00 0.00 C ATOM 1097 CE1 PHE B 36 6.930 6.156 -3.809 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.781 7.996 -5.068 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.755 7.256 -3.905 1.00 0.00 C ATOM 0 H PHE B 36 6.984 4.517 -8.646 1.00 0.00 H new ATOM 0 HA PHE B 36 4.844 4.134 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.622 6.681 -8.102 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.257 6.500 -7.017 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.484 4.937 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.008 8.217 -7.042 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.910 5.574 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.426 8.858 -5.145 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.380 7.538 -3.071 1.00 0.00 H new ATOM 1109 N GLY B 37 3.027 4.308 -8.442 1.00 0.00 N ATOM 1110 CA GLY B 37 2.075 4.060 -9.501 1.00 0.00 C ATOM 1111 C GLY B 37 0.837 4.924 -9.376 1.00 0.00 C ATOM 1112 O GLY B 37 0.810 5.853 -8.563 1.00 0.00 O ATOM 0 H GLY B 37 2.619 4.404 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.550 4.247 -10.464 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.785 3.009 -9.487 1.00 0.00 H new ATOM 1116 N LYS B 38 -0.191 4.588 -10.157 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.408 5.398 -10.248 1.00 0.00 C ATOM 1118 C LYS B 38 -2.031 5.648 -8.873 1.00 0.00 C ATOM 1119 O LYS B 38 -2.155 4.738 -8.052 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.435 4.748 -11.199 1.00 0.00 C ATOM 1121 CG LYS B 38 -3.233 3.579 -10.617 1.00 0.00 C ATOM 1122 CD LYS B 38 -2.358 2.387 -10.261 1.00 0.00 C ATOM 1123 CE LYS B 38 -3.143 1.336 -9.489 1.00 0.00 C ATOM 1124 NZ LYS B 38 -4.414 0.975 -10.172 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.204 3.752 -10.741 1.00 0.00 H new ATOM 0 HA LYS B 38 -1.120 6.365 -10.659 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -3.137 5.516 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.909 4.398 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.762 3.915 -9.725 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -3.989 3.267 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -1.953 1.945 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -1.509 2.721 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -2.530 0.443 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -3.363 1.710 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -4.710 0.023 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -5.152 1.662 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -4.270 0.987 -11.202 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.356 6.905 -8.620 1.00 0.00 N ATOM 1139 CA GLU B 39 -3.004 7.310 -7.386 1.00 0.00 C ATOM 1140 C GLU B 39 -4.209 8.200 -7.678 1.00 0.00 C ATOM 1141 O GLU B 39 -4.335 8.717 -8.789 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.997 8.004 -6.476 1.00 0.00 C ATOM 1143 CG GLU B 39 -1.040 8.944 -7.199 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.679 10.261 -7.593 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -2.362 10.874 -6.747 1.00 0.00 O ATOM 1146 OE2 GLU B 39 -1.478 10.706 -8.746 1.00 0.00 O1- ATOM 0 H GLU B 39 -2.177 7.674 -9.266 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.374 6.425 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.539 8.569 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.416 7.245 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.182 9.142 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.662 8.449 -8.094 1.00 0.00 H new ATOM 1153 N THR B 40 -5.104 8.358 -6.707 1.00 0.00 N ATOM 1154 CA THR B 40 -6.331 9.118 -6.922 1.00 0.00 C ATOM 1155 C THR B 40 -6.052 10.602 -7.188 1.00 0.00 C ATOM 1156 O THR B 40 -6.020 11.036 -8.343 1.00 0.00 O ATOM 1157 CB THR B 40 -7.316 8.961 -5.742 1.00 0.00 C ATOM 1158 OG1 THR B 40 -6.665 9.219 -4.487 1.00 0.00 O ATOM 1159 CG2 THR B 40 -7.909 7.564 -5.724 1.00 0.00 C ATOM 0 H THR B 40 -5.003 7.972 -5.768 1.00 0.00 H new ATOM 0 HA THR B 40 -6.797 8.700 -7.814 1.00 0.00 H new ATOM 0 HB THR B 40 -8.114 9.690 -5.880 1.00 0.00 H new ATOM 0 HG1 THR B 40 -7.340 9.378 -3.795 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.600 7.473 -4.886 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.444 7.384 -6.657 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.110 6.831 -5.616 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.851 11.378 -6.131 1.00 0.00 N ATOM 1168 CA LYS B 41 -5.570 12.802 -6.280 1.00 0.00 C ATOM 1169 C LYS B 41 -4.328 13.191 -5.488 1.00 0.00 C ATOM 1170 O LYS B 41 -3.347 13.681 -6.047 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.771 13.649 -5.830 1.00 0.00 C ATOM 1172 CG LYS B 41 -8.044 13.381 -6.621 1.00 0.00 C ATOM 1173 CD LYS B 41 -9.094 14.463 -6.397 1.00 0.00 C ATOM 1174 CE LYS B 41 -9.608 14.492 -4.964 1.00 0.00 C ATOM 1175 NZ LYS B 41 -10.396 13.276 -4.620 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.877 11.049 -5.166 1.00 0.00 H new ATOM 0 HA LYS B 41 -5.387 12.998 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.963 13.457 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.514 14.704 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.805 13.322 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -8.453 12.413 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -8.668 15.435 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -9.931 14.298 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -8.764 14.581 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -10.229 15.377 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -10.931 13.445 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -11.057 13.060 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -9.751 12.472 -4.481 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.379 12.967 -4.183 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.247 13.255 -3.329 1.00 0.00 C ATOM 1191 C GLY B 42 -2.699 12.002 -2.682 1.00 0.00 C ATOM 1192 O GLY B 42 -2.239 12.022 -1.540 1.00 0.00 O ATOM 0 H GLY B 42 -5.192 12.588 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.463 13.735 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.546 13.963 -2.556 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.744 10.902 -3.414 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.275 9.630 -2.894 1.00 0.00 C ATOM 1198 C LYS B 43 -1.008 9.224 -3.627 1.00 0.00 C ATOM 1199 O LYS B 43 -0.458 10.019 -4.388 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.357 8.557 -3.060 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.418 7.578 -1.900 1.00 0.00 C ATOM 1202 CD LYS B 43 -3.850 8.258 -0.611 1.00 0.00 C ATOM 1203 CE LYS B 43 -5.360 8.324 -0.474 1.00 0.00 C ATOM 1204 NZ LYS B 43 -6.022 9.128 -1.542 1.00 0.00 N1+ ATOM 0 H LYS B 43 -3.100 10.864 -4.369 1.00 0.00 H new ATOM 0 HA LYS B 43 -2.057 9.732 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.327 9.043 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -3.173 8.006 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.115 6.774 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.439 7.120 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.433 7.718 0.239 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -3.440 9.267 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -5.763 7.311 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.610 8.750 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -7.022 9.273 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -5.549 10.050 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -5.957 8.622 -2.448 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.513 8.020 -3.369 1.00 0.00 N ATOM 1219 CA ARG B 44 0.590 7.481 -4.141 1.00 0.00 C ATOM 1220 C ARG B 44 0.654 5.959 -3.998 1.00 0.00 C ATOM 1221 O ARG B 44 0.528 5.419 -2.900 1.00 0.00 O ATOM 1222 CB ARG B 44 1.889 8.161 -3.703 1.00 0.00 C ATOM 1223 CG ARG B 44 3.122 7.700 -4.449 1.00 0.00 C ATOM 1224 CD ARG B 44 4.070 8.863 -4.673 1.00 0.00 C ATOM 1225 NE ARG B 44 3.552 9.798 -5.672 1.00 0.00 N ATOM 1226 CZ ARG B 44 3.938 11.068 -5.780 1.00 0.00 C ATOM 1227 NH1 ARG B 44 4.837 11.569 -4.940 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 3.424 11.838 -6.730 1.00 0.00 N ATOM 0 H ARG B 44 -0.859 7.404 -2.634 1.00 0.00 H new ATOM 0 HA ARG B 44 0.439 7.689 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.782 9.238 -3.834 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.036 7.982 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.625 6.916 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG B 44 2.835 7.267 -5.407 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.231 9.388 -3.732 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.040 8.485 -4.997 1.00 0.00 H new ATOM 0 HE ARG B 44 2.850 9.455 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.235 10.980 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.129 12.542 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.734 11.457 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG B 44 3.719 12.811 -6.813 1.00 0.00 H new ATOM 1242 N ARG B 45 0.803 5.257 -5.113 1.00 0.00 N ATOM 1243 CA ARG B 45 0.934 3.807 -5.066 1.00 0.00 C ATOM 1244 C ARG B 45 2.379 3.424 -4.762 1.00 0.00 C ATOM 1245 O ARG B 45 3.225 3.430 -5.653 1.00 0.00 O ATOM 1246 CB ARG B 45 0.485 3.180 -6.392 1.00 0.00 C ATOM 1247 CG ARG B 45 0.662 1.667 -6.449 1.00 0.00 C ATOM 1248 CD ARG B 45 0.312 1.109 -7.820 1.00 0.00 C ATOM 1249 NE ARG B 45 0.638 -0.314 -7.939 1.00 0.00 N ATOM 1250 CZ ARG B 45 0.924 -0.921 -9.094 1.00 0.00 C ATOM 1251 NH1 ARG B 45 0.934 -0.239 -10.229 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 1.205 -2.213 -9.112 1.00 0.00 N ATOM 0 H ARG B 45 0.836 5.661 -6.049 1.00 0.00 H new ATOM 0 HA ARG B 45 0.292 3.425 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.565 3.420 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.049 3.633 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.693 1.412 -6.205 1.00 0.00 H new ATOM 0 HG3 ARG B 45 0.031 1.198 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.752 1.253 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG B 45 0.850 1.668 -8.586 1.00 0.00 H new ATOM 0 HE ARG B 45 0.647 -0.876 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG B 45 0.722 0.759 -10.226 1.00 0.00 H new ATOM 0 HH12 ARG B 45 1.154 -0.711 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG B 45 1.204 -2.747 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG B 45 1.423 -2.675 -9.995 1.00 0.00 H new ATOM 1266 N LEU B 46 2.660 3.113 -3.503 1.00 0.00 N ATOM 1267 CA LEU B 46 4.006 2.725 -3.102 1.00 0.00 C ATOM 1268 C LEU B 46 4.241 1.253 -3.399 1.00 0.00 C ATOM 1269 O LEU B 46 3.671 0.377 -2.746 1.00 0.00 O ATOM 1270 CB LEU B 46 4.242 2.989 -1.611 1.00 0.00 C ATOM 1271 CG LEU B 46 5.630 2.585 -1.101 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.681 3.573 -1.569 1.00 0.00 C ATOM 1273 CD2 LEU B 46 5.643 2.471 0.414 1.00 0.00 C ATOM 0 H LEU B 46 1.977 3.122 -2.745 1.00 0.00 H new ATOM 0 HA LEU B 46 4.708 3.330 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.093 4.051 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.488 2.451 -1.037 1.00 0.00 H new ATOM 0 HG LEU B 46 5.868 1.605 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.659 3.268 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.699 3.596 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.442 4.566 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.640 2.183 0.749 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.376 3.432 0.853 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.923 1.716 0.728 1.00 0.00 H new ATOM 1285 N VAL B 47 5.070 0.989 -4.391 1.00 0.00 N ATOM 1286 CA VAL B 47 5.425 -0.373 -4.744 1.00 0.00 C ATOM 1287 C VAL B 47 6.943 -0.534 -4.772 1.00 0.00 C ATOM 1288 O VAL B 47 7.628 0.014 -5.638 1.00 0.00 O ATOM 1289 CB VAL B 47 4.808 -0.794 -6.102 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.317 -1.038 -5.951 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.050 0.259 -7.177 1.00 0.00 C ATOM 0 H VAL B 47 5.512 1.703 -4.969 1.00 0.00 H new ATOM 0 HA VAL B 47 5.013 -1.032 -3.980 1.00 0.00 H new ATOM 0 HB VAL B 47 5.297 -1.717 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL B 47 2.897 -1.333 -6.913 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.150 -1.832 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.832 -0.124 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.604 -0.070 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.598 1.202 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.122 0.399 -7.315 1.00 0.00 H new ATOM 1301 N ILE B 48 7.476 -1.253 -3.795 1.00 0.00 N ATOM 1302 CA ILE B 48 8.913 -1.462 -3.715 1.00 0.00 C ATOM 1303 C ILE B 48 9.292 -2.755 -4.416 1.00 0.00 C ATOM 1304 O ILE B 48 8.820 -3.827 -4.047 1.00 0.00 O ATOM 1305 CB ILE B 48 9.423 -1.502 -2.256 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.921 -0.279 -1.483 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.950 -1.554 -2.236 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.324 -0.273 -0.023 1.00 0.00 C ATOM 0 H ILE B 48 6.939 -1.699 -3.051 1.00 0.00 H new ATOM 0 HA ILE B 48 9.386 -0.613 -4.209 1.00 0.00 H new ATOM 0 HB ILE B 48 9.035 -2.399 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.304 0.623 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.834 -0.239 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.300 -1.582 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.290 -2.448 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.351 -0.669 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.933 0.623 0.459 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.919 -1.157 0.470 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.411 -0.281 0.054 1.00 0.00 H new ATOM 1320 N THR B 49 10.136 -2.641 -5.426 1.00 0.00 N ATOM 1321 CA THR B 49 10.553 -3.784 -6.224 1.00 0.00 C ATOM 1322 C THR B 49 11.838 -4.395 -5.660 1.00 0.00 C ATOM 1323 O THR B 49 12.928 -3.869 -5.877 1.00 0.00 O ATOM 1324 CB THR B 49 10.769 -3.364 -7.694 1.00 0.00 C ATOM 1325 OG1 THR B 49 9.555 -2.806 -8.220 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.198 -4.546 -8.551 1.00 0.00 C ATOM 0 H THR B 49 10.552 -1.756 -5.717 1.00 0.00 H new ATOM 0 HA THR B 49 9.763 -4.534 -6.184 1.00 0.00 H new ATOM 0 HB THR B 49 11.564 -2.618 -7.719 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.695 -2.539 -9.152 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.342 -4.216 -9.580 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.133 -4.954 -8.167 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.427 -5.316 -8.521 1.00 0.00 H new ATOM 1334 N PRO B 50 11.725 -5.510 -4.922 1.00 0.00 N ATOM 1335 CA PRO B 50 12.874 -6.140 -4.261 1.00 0.00 C ATOM 1336 C PRO B 50 13.898 -6.703 -5.248 1.00 0.00 C ATOM 1337 O PRO B 50 13.541 -7.344 -6.238 1.00 0.00 O ATOM 1338 CB PRO B 50 12.244 -7.267 -3.437 1.00 0.00 C ATOM 1339 CG PRO B 50 10.937 -7.550 -4.093 1.00 0.00 C ATOM 1340 CD PRO B 50 10.471 -6.246 -4.681 1.00 0.00 C ATOM 0 HA PRO B 50 13.434 -5.419 -3.665 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.880 -8.152 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO B 50 12.106 -6.965 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO B 50 11.047 -8.309 -4.868 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.214 -7.932 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.912 -6.399 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.815 -5.708 -3.996 1.00 0.00 H new ATOM 1348 N VAL B 51 15.174 -6.451 -4.971 1.00 0.00 N ATOM 1349 CA VAL B 51 16.258 -6.949 -5.814 1.00 0.00 C ATOM 1350 C VAL B 51 17.138 -7.935 -5.048 1.00 0.00 C ATOM 1351 O VAL B 51 18.005 -8.591 -5.626 1.00 0.00 O ATOM 1352 CB VAL B 51 17.139 -5.804 -6.352 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.297 -4.800 -7.119 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.902 -5.130 -5.220 1.00 0.00 C ATOM 0 H VAL B 51 15.484 -5.904 -4.168 1.00 0.00 H new ATOM 0 HA VAL B 51 15.789 -7.456 -6.658 1.00 0.00 H new ATOM 0 HB VAL B 51 17.871 -6.227 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL B 51 16.935 -3.999 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL B 51 15.812 -5.298 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.538 -4.382 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.517 -4.326 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL B 51 17.195 -4.720 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.541 -5.862 -4.726 1.00 0.00 H new ATOM 1364 N ASP B 52 16.918 -8.020 -3.742 1.00 0.00 N ATOM 1365 CA ASP B 52 17.662 -8.946 -2.894 1.00 0.00 C ATOM 1366 C ASP B 52 16.700 -9.695 -1.986 1.00 0.00 C ATOM 1367 O ASP B 52 16.497 -10.900 -2.136 1.00 0.00 O ATOM 1368 CB ASP B 52 18.704 -8.201 -2.053 1.00 0.00 C ATOM 1369 CG ASP B 52 19.443 -9.119 -1.096 1.00 0.00 C ATOM 1370 OD1 ASP B 52 20.404 -9.789 -1.528 1.00 0.00 O1- ATOM 1371 OD2 ASP B 52 19.070 -9.169 0.098 1.00 0.00 O ATOM 0 H ASP B 52 16.228 -7.457 -3.245 1.00 0.00 H new ATOM 0 HA ASP B 52 18.186 -9.657 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.422 -7.718 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.211 -7.411 -1.486 1.00 0.00 H new ATOM 1376 N GLY B 53 16.098 -8.970 -1.054 1.00 0.00 N ATOM 1377 CA GLY B 53 15.091 -9.555 -0.199 1.00 0.00 C ATOM 1378 C GLY B 53 13.754 -9.619 -0.896 1.00 0.00 C ATOM 1379 O GLY B 53 12.942 -8.701 -0.771 1.00 0.00 O ATOM 0 H GLY B 53 16.291 -7.984 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.399 -10.558 0.096 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.000 -8.968 0.715 1.00 0.00 H new ATOM 1383 N SER B 54 13.535 -10.693 -1.643 1.00 0.00 N ATOM 1384 CA SER B 54 12.329 -10.853 -2.438 1.00 0.00 C ATOM 1385 C SER B 54 11.109 -11.123 -1.561 1.00 0.00 C ATOM 1386 O SER B 54 10.686 -12.268 -1.389 1.00 0.00 O ATOM 1387 CB SER B 54 12.532 -11.976 -3.456 1.00 0.00 C ATOM 1388 OG SER B 54 13.182 -13.089 -2.865 1.00 0.00 O ATOM 0 H SER B 54 14.187 -11.474 -1.714 1.00 0.00 H new ATOM 0 HA SER B 54 12.139 -9.920 -2.969 1.00 0.00 H new ATOM 0 HB2 SER B 54 11.567 -12.286 -3.858 1.00 0.00 H new ATOM 0 HB3 SER B 54 13.124 -11.608 -4.295 1.00 0.00 H new ATOM 0 HG SER B 54 12.681 -13.378 -2.074 1.00 0.00 H new ATOM 1394 N ASP B 55 10.578 -10.059 -0.982 1.00 0.00 N ATOM 1395 CA ASP B 55 9.362 -10.129 -0.190 1.00 0.00 C ATOM 1396 C ASP B 55 8.481 -8.938 -0.543 1.00 0.00 C ATOM 1397 O ASP B 55 8.580 -7.884 0.085 1.00 0.00 O ATOM 1398 CB ASP B 55 9.699 -10.114 1.303 1.00 0.00 C ATOM 1399 CG ASP B 55 8.550 -10.600 2.170 1.00 0.00 C ATOM 1400 OD1 ASP B 55 8.456 -11.823 2.410 1.00 0.00 O1- ATOM 1401 OD2 ASP B 55 7.736 -9.769 2.623 1.00 0.00 O ATOM 0 H ASP B 55 10.978 -9.123 -1.048 1.00 0.00 H new ATOM 0 HA ASP B 55 8.833 -11.057 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.573 -10.741 1.480 1.00 0.00 H new ATOM 0 HB3 ASP B 55 9.969 -9.101 1.600 1.00 0.00 H new ATOM 1406 N PRO B 56 7.632 -9.092 -1.577 1.00 0.00 N ATOM 1407 CA PRO B 56 6.824 -7.997 -2.137 1.00 0.00 C ATOM 1408 C PRO B 56 6.153 -7.133 -1.074 1.00 0.00 C ATOM 1409 O PRO B 56 5.362 -7.617 -0.261 1.00 0.00 O ATOM 1410 CB PRO B 56 5.779 -8.738 -2.968 1.00 0.00 C ATOM 1411 CG PRO B 56 6.483 -9.967 -3.421 1.00 0.00 C ATOM 1412 CD PRO B 56 7.391 -10.363 -2.288 1.00 0.00 C ATOM 0 HA PRO B 56 7.434 -7.293 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO B 56 4.896 -8.979 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO B 56 5.442 -8.137 -3.813 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.773 -10.762 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.053 -9.778 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.923 -11.103 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO B 56 8.320 -10.801 -2.653 1.00 0.00 H new ATOM 1420 N TYR B 57 6.490 -5.852 -1.084 1.00 0.00 N ATOM 1421 CA TYR B 57 5.940 -4.903 -0.136 1.00 0.00 C ATOM 1422 C TYR B 57 5.275 -3.759 -0.884 1.00 0.00 C ATOM 1423 O TYR B 57 5.949 -2.936 -1.513 1.00 0.00 O ATOM 1424 CB TYR B 57 7.043 -4.363 0.776 1.00 0.00 C ATOM 1425 CG TYR B 57 6.534 -3.492 1.903 1.00 0.00 C ATOM 1426 CD1 TYR B 57 6.033 -4.059 3.066 1.00 0.00 C ATOM 1427 CD2 TYR B 57 6.558 -2.106 1.805 1.00 0.00 C ATOM 1428 CE1 TYR B 57 5.570 -3.271 4.100 1.00 0.00 C ATOM 1429 CE2 TYR B 57 6.098 -1.310 2.836 1.00 0.00 C ATOM 1430 CZ TYR B 57 5.603 -1.898 3.981 1.00 0.00 C ATOM 1431 OH TYR B 57 5.143 -1.106 5.010 1.00 0.00 O ATOM 0 H TYR B 57 7.150 -5.445 -1.747 1.00 0.00 H new ATOM 0 HA TYR B 57 5.197 -5.409 0.480 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.594 -5.203 1.199 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.748 -3.788 0.176 1.00 0.00 H new ATOM 0 HD1 TYR B 57 6.005 -5.134 3.164 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.943 -1.644 0.908 1.00 0.00 H new ATOM 0 HE1 TYR B 57 5.183 -3.728 4.999 1.00 0.00 H new ATOM 0 HE2 TYR B 57 6.126 -0.234 2.746 1.00 0.00 H new ATOM 0 HH TYR B 57 5.239 -0.162 4.764 1.00 0.00 H new ATOM 1441 N GLU B 58 3.957 -3.718 -0.819 1.00 0.00 N ATOM 1442 CA GLU B 58 3.187 -2.692 -1.496 1.00 0.00 C ATOM 1443 C GLU B 58 2.159 -2.094 -0.541 1.00 0.00 C ATOM 1444 O GLU B 58 1.553 -2.815 0.251 1.00 0.00 O ATOM 1445 CB GLU B 58 2.467 -3.273 -2.720 1.00 0.00 C ATOM 1446 CG GLU B 58 3.383 -3.823 -3.809 1.00 0.00 C ATOM 1447 CD GLU B 58 3.820 -5.257 -3.574 1.00 0.00 C ATOM 1448 OE1 GLU B 58 2.992 -6.079 -3.137 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 4.996 -5.574 -3.858 1.00 0.00 O ATOM 0 H GLU B 58 3.393 -4.390 -0.299 1.00 0.00 H new ATOM 0 HA GLU B 58 3.874 -1.913 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.804 -4.072 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.837 -2.496 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.869 -3.762 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.268 -3.190 -3.881 1.00 0.00 H new ATOM 1456 N GLU B 59 1.970 -0.781 -0.609 1.00 0.00 N ATOM 1457 CA GLU B 59 0.962 -0.115 0.208 1.00 0.00 C ATOM 1458 C GLU B 59 0.510 1.182 -0.454 1.00 0.00 C ATOM 1459 O GLU B 59 1.231 1.768 -1.265 1.00 0.00 O ATOM 1460 CB GLU B 59 1.490 0.187 1.617 1.00 0.00 C ATOM 1461 CG GLU B 59 0.389 0.627 2.578 1.00 0.00 C ATOM 1462 CD GLU B 59 0.903 1.131 3.912 1.00 0.00 C ATOM 1463 OE1 GLU B 59 1.502 0.335 4.664 1.00 0.00 O1- ATOM 1464 OE2 GLU B 59 0.696 2.324 4.218 1.00 0.00 O ATOM 0 H GLU B 59 2.499 -0.158 -1.219 1.00 0.00 H new ATOM 0 HA GLU B 59 0.113 -0.794 0.296 1.00 0.00 H new ATOM 0 HB2 GLU B 59 1.980 -0.702 2.015 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.247 0.969 1.557 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -0.199 1.414 2.106 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -0.284 -0.212 2.753 1.00 0.00 H new ATOM 1471 N MET B 60 -0.693 1.614 -0.114 1.00 0.00 N ATOM 1472 CA MET B 60 -1.222 2.881 -0.586 1.00 0.00 C ATOM 1473 C MET B 60 -0.725 4.007 0.313 1.00 0.00 C ATOM 1474 O MET B 60 -1.388 4.410 1.274 1.00 0.00 O ATOM 1475 CB MET B 60 -2.757 2.822 -0.641 1.00 0.00 C ATOM 1476 CG MET B 60 -3.446 4.166 -0.815 1.00 0.00 C ATOM 1477 SD MET B 60 -5.162 3.998 -1.339 1.00 0.00 S ATOM 1478 CE MET B 60 -5.821 2.954 -0.041 1.00 0.00 C ATOM 0 H MET B 60 -1.328 1.098 0.495 1.00 0.00 H new ATOM 0 HA MET B 60 -0.867 3.079 -1.597 1.00 0.00 H new ATOM 0 HB2 MET B 60 -3.051 2.171 -1.464 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.121 2.360 0.277 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.409 4.714 0.126 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.901 4.758 -1.550 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.905 2.893 -0.138 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.392 1.955 -0.125 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.567 3.378 0.931 1.00 0.00 H new ATOM 1488 N ILE B 61 0.469 4.481 0.001 1.00 0.00 N ATOM 1489 CA ILE B 61 1.098 5.550 0.751 1.00 0.00 C ATOM 1490 C ILE B 61 0.797 6.888 0.098 1.00 0.00 C ATOM 1491 O ILE B 61 1.145 7.128 -1.048 1.00 0.00 O ATOM 1492 CB ILE B 61 2.624 5.336 0.860 1.00 0.00 C ATOM 1493 CG1 ILE B 61 2.935 4.221 1.865 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.329 6.622 1.256 1.00 0.00 C ATOM 1495 CD1 ILE B 61 2.591 4.573 3.299 1.00 0.00 C ATOM 0 H ILE B 61 1.028 4.135 -0.779 1.00 0.00 H new ATOM 0 HA ILE B 61 0.688 5.544 1.761 1.00 0.00 H new ATOM 0 HB ILE B 61 2.996 5.037 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.385 3.324 1.579 1.00 0.00 H new ATOM 0 HG13 ILE B 61 3.996 3.977 1.805 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.402 6.442 1.325 1.00 0.00 H new ATOM 0 HG22 ILE B 61 3.137 7.388 0.505 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.954 6.960 2.222 1.00 0.00 H new ATOM 0 HD11 ILE B 61 2.840 3.734 3.949 1.00 0.00 H new ATOM 0 HD12 ILE B 61 3.160 5.451 3.605 1.00 0.00 H new ATOM 0 HD13 ILE B 61 1.525 4.788 3.375 1.00 0.00 H new ATOM 1507 N PRO B 62 0.131 7.772 0.825 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.335 9.046 0.285 1.00 0.00 C ATOM 1509 C PRO B 62 0.788 10.046 0.037 1.00 0.00 C ATOM 1510 O PRO B 62 1.907 9.891 0.526 1.00 0.00 O ATOM 1511 CB PRO B 62 -1.257 9.554 1.379 1.00 0.00 C ATOM 1512 CG PRO B 62 -0.728 8.951 2.630 1.00 0.00 C ATOM 1513 CD PRO B 62 -0.216 7.600 2.243 1.00 0.00 C ATOM 0 HA PRO B 62 -0.807 8.922 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -1.248 10.643 1.430 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -2.289 9.252 1.199 1.00 0.00 H new ATOM 0 HG2 PRO B 62 0.067 9.564 3.054 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -1.508 8.872 3.387 1.00 0.00 H new ATOM 0 HD2 PRO B 62 0.650 7.311 2.838 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.971 6.827 2.383 1.00 0.00 H new ATOM 1521 N LYS B 63 0.457 11.092 -0.714 1.00 0.00 N ATOM 1522 CA LYS B 63 1.416 12.125 -1.075 1.00 0.00 C ATOM 1523 C LYS B 63 1.715 13.004 0.139 1.00 0.00 C ATOM 1524 O LYS B 63 2.724 13.705 0.183 1.00 0.00 O ATOM 1525 CB LYS B 63 0.850 12.967 -2.227 1.00 0.00 C ATOM 1526 CG LYS B 63 1.883 13.417 -3.257 1.00 0.00 C ATOM 1527 CD LYS B 63 2.815 14.499 -2.728 1.00 0.00 C ATOM 1528 CE LYS B 63 2.067 15.784 -2.400 1.00 0.00 C ATOM 1529 NZ LYS B 63 1.347 16.331 -3.580 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.480 11.245 -1.087 1.00 0.00 H new ATOM 0 HA LYS B 63 2.347 11.662 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.078 12.390 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.365 13.849 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS B 63 2.474 12.557 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.368 13.789 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.322 14.136 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS B 63 3.587 14.707 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.354 15.593 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.772 16.528 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.481 17.361 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 1.723 15.898 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 0.333 16.117 -3.498 1.00 0.00 H new ATOM 1543 N TRP B 64 0.832 12.948 1.131 1.00 0.00 N ATOM 1544 CA TRP B 64 1.029 13.693 2.375 1.00 0.00 C ATOM 1545 C TRP B 64 1.801 12.859 3.393 1.00 0.00 C ATOM 1546 O TRP B 64 1.931 13.234 4.557 1.00 0.00 O ATOM 1547 CB TRP B 64 -0.306 14.178 2.969 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.490 13.312 2.648 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -2.296 13.423 1.552 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -2.017 12.224 3.426 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -3.281 12.471 1.590 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -3.135 11.724 2.728 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.656 11.618 4.636 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -3.891 10.652 3.196 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -2.407 10.552 5.099 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.513 10.078 4.379 1.00 0.00 C ATOM 0 H TRP B 64 -0.026 12.397 1.100 1.00 0.00 H new ATOM 0 HA TRP B 64 1.620 14.576 2.133 1.00 0.00 H new ATOM 0 HB2 TRP B 64 -0.204 14.242 4.052 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.503 15.187 2.607 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -2.175 14.156 0.768 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -4.006 12.340 0.884 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -0.806 11.977 5.198 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.745 10.287 2.645 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -2.137 10.077 6.031 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.078 9.243 4.766 1.00 0.00 H new ATOM 1567 N ARG B 65 2.306 11.722 2.941 1.00 0.00 N ATOM 1568 CA ARG B 65 3.188 10.890 3.744 1.00 0.00 C ATOM 1569 C ARG B 65 4.631 11.159 3.351 1.00 0.00 C ATOM 1570 O ARG B 65 4.939 11.299 2.166 1.00 0.00 O ATOM 1571 CB ARG B 65 2.853 9.411 3.527 1.00 0.00 C ATOM 1572 CG ARG B 65 3.808 8.445 4.209 1.00 0.00 C ATOM 1573 CD ARG B 65 3.710 8.533 5.720 1.00 0.00 C ATOM 1574 NE ARG B 65 4.520 7.511 6.379 1.00 0.00 N ATOM 1575 CZ ARG B 65 4.291 7.060 7.611 1.00 0.00 C ATOM 1576 NH1 ARG B 65 3.272 7.535 8.319 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 5.079 6.129 8.132 1.00 0.00 N ATOM 0 H ARG B 65 2.117 11.351 2.010 1.00 0.00 H new ATOM 0 HA ARG B 65 3.050 11.129 4.798 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.843 9.222 3.891 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.850 9.205 2.457 1.00 0.00 H new ATOM 0 HG2 ARG B 65 3.586 7.427 3.889 1.00 0.00 H new ATOM 0 HG3 ARG B 65 4.830 8.662 3.897 1.00 0.00 H new ATOM 0 HD2 ARG B 65 4.034 9.521 6.048 1.00 0.00 H new ATOM 0 HD3 ARG B 65 2.669 8.422 6.023 1.00 0.00 H new ATOM 0 HE ARG B 65 5.309 7.119 5.864 1.00 0.00 H new ATOM 0 HH11 ARG B 65 2.662 8.248 7.919 1.00 0.00 H new ATOM 0 HH12 ARG B 65 3.100 7.187 9.262 1.00 0.00 H new ATOM 0 HH21 ARG B 65 5.859 5.759 7.589 1.00 0.00 H new ATOM 0 HH22 ARG B 65 4.905 5.783 9.075 1.00 0.00 H new ATOM 1591 N GLN B 66 5.510 11.252 4.339 1.00 0.00 N ATOM 1592 CA GLN B 66 6.926 11.408 4.059 1.00 0.00 C ATOM 1593 C GLN B 66 7.470 10.119 3.454 1.00 0.00 C ATOM 1594 O GLN B 66 7.516 9.074 4.105 1.00 0.00 O ATOM 1595 CB GLN B 66 7.701 11.806 5.321 1.00 0.00 C ATOM 1596 CG GLN B 66 7.427 10.935 6.532 1.00 0.00 C ATOM 1597 CD GLN B 66 8.131 11.438 7.775 1.00 0.00 C ATOM 1598 OE1 GLN B 66 9.195 12.056 7.697 1.00 0.00 O ATOM 1599 NE2 GLN B 66 7.549 11.174 8.932 1.00 0.00 N ATOM 0 H GLN B 66 5.269 11.222 5.330 1.00 0.00 H new ATOM 0 HA GLN B 66 7.058 12.215 3.339 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.768 11.774 5.101 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.458 12.839 5.570 1.00 0.00 H new ATOM 0 HG2 GLN B 66 6.353 10.899 6.715 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.749 9.915 6.323 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.668 10.660 8.954 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.980 11.485 9.803 1.00 0.00 H new ATOM 1608 N LEU B 67 7.844 10.200 2.190 1.00 0.00 N ATOM 1609 CA LEU B 67 8.241 9.029 1.430 1.00 0.00 C ATOM 1610 C LEU B 67 9.711 8.705 1.626 1.00 0.00 C ATOM 1611 O LEU B 67 10.503 9.577 1.993 1.00 0.00 O ATOM 1612 CB LEU B 67 7.939 9.245 -0.052 1.00 0.00 C ATOM 1613 CG LEU B 67 6.456 9.208 -0.415 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.202 9.968 -1.707 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.989 7.770 -0.556 1.00 0.00 C ATOM 0 H LEU B 67 7.881 11.073 1.664 1.00 0.00 H new ATOM 0 HA LEU B 67 7.666 8.179 1.797 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.349 10.208 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.459 8.481 -0.630 1.00 0.00 H new ATOM 0 HG LEU B 67 5.893 9.688 0.385 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.140 9.930 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.509 11.007 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.774 9.513 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.930 7.755 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.562 7.277 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU B 67 6.139 7.244 0.387 1.00 0.00 H new ATOM 1627 N ASN B 68 10.068 7.455 1.382 1.00 0.00 N ATOM 1628 CA ASN B 68 11.446 7.013 1.522 1.00 0.00 C ATOM 1629 C ASN B 68 12.320 7.727 0.497 1.00 0.00 C ATOM 1630 O ASN B 68 13.308 8.368 0.843 1.00 0.00 O ATOM 1631 CB ASN B 68 11.543 5.488 1.357 1.00 0.00 C ATOM 1632 CG ASN B 68 10.644 4.744 2.323 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.374 5.210 3.426 1.00 0.00 O ATOM 1634 ND2 ASN B 68 10.161 3.584 1.908 1.00 0.00 N ATOM 0 H ASN B 68 9.420 6.726 1.085 1.00 0.00 H new ATOM 0 HA ASN B 68 11.801 7.264 2.521 1.00 0.00 H new ATOM 0 HB2 ASN B 68 11.276 5.218 0.335 1.00 0.00 H new ATOM 0 HB3 ASN B 68 12.575 5.174 1.510 1.00 0.00 H new ATOM 0 HD21 ASN B 68 9.541 3.044 2.512 1.00 0.00 H new ATOM 0 HD22 ASN B 68 10.409 3.230 0.984 1.00 0.00 H new ATOM 1641 N VAL B 69 11.929 7.638 -0.761 1.00 0.00 N ATOM 1642 CA VAL B 69 12.618 8.328 -1.835 1.00 0.00 C ATOM 1643 C VAL B 69 11.746 8.249 -3.089 1.00 0.00 C ATOM 1644 O VAL B 69 10.639 7.714 -3.019 1.00 0.00 O ATOM 1645 CB VAL B 69 14.037 7.737 -2.062 1.00 0.00 C ATOM 1646 CG1 VAL B 69 13.960 6.369 -2.706 1.00 0.00 C ATOM 1647 CG2 VAL B 69 14.928 8.675 -2.867 1.00 0.00 C ATOM 0 H VAL B 69 11.127 7.087 -1.066 1.00 0.00 H new ATOM 0 HA VAL B 69 12.770 9.375 -1.575 1.00 0.00 H new ATOM 0 HB VAL B 69 14.498 7.625 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.967 5.979 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.400 5.693 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.457 6.448 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL B 69 15.909 8.220 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.477 8.857 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.036 9.620 -2.335 1.00 0.00 H new ATOM 1657 N PHE B 70 12.213 8.770 -4.215 1.00 0.00 N ATOM 1658 CA PHE B 70 11.391 8.844 -5.416 1.00 0.00 C ATOM 1659 C PHE B 70 11.291 7.486 -6.103 1.00 0.00 C ATOM 1660 O PHE B 70 11.895 6.508 -5.661 1.00 0.00 O ATOM 1661 CB PHE B 70 11.966 9.888 -6.375 1.00 0.00 C ATOM 1662 CG PHE B 70 12.178 11.227 -5.726 1.00 0.00 C ATOM 1663 CD1 PHE B 70 11.145 11.853 -5.046 1.00 0.00 C ATOM 1664 CD2 PHE B 70 13.411 11.853 -5.787 1.00 0.00 C ATOM 1665 CE1 PHE B 70 11.340 13.077 -4.439 1.00 0.00 C ATOM 1666 CE2 PHE B 70 13.610 13.079 -5.183 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.573 13.691 -4.508 1.00 0.00 C ATOM 0 H PHE B 70 13.155 9.147 -4.323 1.00 0.00 H new ATOM 0 HA PHE B 70 10.384 9.142 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.916 9.527 -6.769 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.292 10.004 -7.224 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.177 11.378 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.226 11.378 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.528 13.554 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.576 13.558 -5.239 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.727 14.649 -4.035 1.00 0.00 H new ATOM 1677 N GLU B 71 10.511 7.422 -7.175 1.00 0.00 N ATOM 1678 CA GLU B 71 10.283 6.163 -7.868 1.00 0.00 C ATOM 1679 C GLU B 71 11.439 5.822 -8.803 1.00 0.00 C ATOM 1680 O GLU B 71 12.078 6.709 -9.376 1.00 0.00 O ATOM 1681 CB GLU B 71 8.960 6.198 -8.636 1.00 0.00 C ATOM 1682 CG GLU B 71 8.873 7.293 -9.688 1.00 0.00 C ATOM 1683 CD GLU B 71 7.541 7.301 -10.410 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.346 6.459 -11.312 1.00 0.00 O1- ATOM 1685 OE2 GLU B 71 6.681 8.145 -10.076 1.00 0.00 O ATOM 0 H GLU B 71 10.028 8.224 -7.581 1.00 0.00 H new ATOM 0 HA GLU B 71 10.224 5.378 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU B 71 8.809 5.233 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.144 6.329 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.031 8.261 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU B 71 9.675 7.159 -10.414 1.00 0.00 H new ATOM 1692 N GLY B 72 11.704 4.529 -8.933 1.00 0.00 N ATOM 1693 CA GLY B 72 12.792 4.058 -9.766 1.00 0.00 C ATOM 1694 C GLY B 72 14.126 4.275 -9.092 1.00 0.00 C ATOM 1695 O GLY B 72 15.159 4.404 -9.748 1.00 0.00 O ATOM 0 H GLY B 72 11.177 3.789 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.657 2.998 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.775 4.581 -10.722 1.00 0.00 H new ATOM 1699 N GLU B 73 14.090 4.313 -7.772 1.00 0.00 N ATOM 1700 CA GLU B 73 15.274 4.569 -6.978 1.00 0.00 C ATOM 1701 C GLU B 73 15.713 3.317 -6.228 1.00 0.00 C ATOM 1702 O GLU B 73 14.902 2.634 -5.601 1.00 0.00 O ATOM 1703 CB GLU B 73 14.994 5.700 -5.995 1.00 0.00 C ATOM 1704 CG GLU B 73 14.891 7.070 -6.647 1.00 0.00 C ATOM 1705 CD GLU B 73 16.194 7.512 -7.277 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.159 7.779 -6.530 1.00 0.00 O ATOM 1707 OE2 GLU B 73 16.258 7.611 -8.520 1.00 0.00 O1- ATOM 0 H GLU B 73 13.242 4.168 -7.224 1.00 0.00 H new ATOM 0 HA GLU B 73 16.084 4.860 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.064 5.488 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.786 5.723 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.112 7.048 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.586 7.802 -5.900 1.00 0.00 H new ATOM 1714 N ARG B 74 16.999 3.021 -6.312 1.00 0.00 N ATOM 1715 CA ARG B 74 17.580 1.886 -5.613 1.00 0.00 C ATOM 1716 C ARG B 74 17.785 2.213 -4.141 1.00 0.00 C ATOM 1717 O ARG B 74 18.463 3.182 -3.794 1.00 0.00 O ATOM 1718 CB ARG B 74 18.904 1.492 -6.274 1.00 0.00 C ATOM 1719 CG ARG B 74 19.752 0.518 -5.469 1.00 0.00 C ATOM 1720 CD ARG B 74 19.150 -0.877 -5.442 1.00 0.00 C ATOM 1721 NE ARG B 74 19.982 -1.808 -4.683 1.00 0.00 N ATOM 1722 CZ ARG B 74 20.582 -2.881 -5.204 1.00 0.00 C ATOM 1723 NH1 ARG B 74 20.469 -3.156 -6.499 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 21.305 -3.676 -4.427 1.00 0.00 N ATOM 0 H ARG B 74 17.668 3.558 -6.864 1.00 0.00 H new ATOM 0 HA ARG B 74 16.894 1.041 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.691 1.049 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.486 2.395 -6.456 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.754 0.472 -5.896 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.857 0.887 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG B 74 18.154 -0.836 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG B 74 19.032 -1.243 -6.462 1.00 0.00 H new ATOM 0 HE ARG B 74 20.113 -1.626 -3.688 1.00 0.00 H new ATOM 0 HH11 ARG B 74 19.920 -2.545 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.931 -3.978 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.402 -3.467 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.764 -4.496 -4.823 1.00 0.00 H new ATOM 1738 N VAL B 75 17.175 1.405 -3.291 1.00 0.00 N ATOM 1739 CA VAL B 75 17.283 1.559 -1.851 1.00 0.00 C ATOM 1740 C VAL B 75 17.559 0.212 -1.197 1.00 0.00 C ATOM 1741 O VAL B 75 17.484 -0.833 -1.850 1.00 0.00 O ATOM 1742 CB VAL B 75 15.994 2.152 -1.243 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.780 3.577 -1.716 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.789 1.289 -1.587 1.00 0.00 C ATOM 0 H VAL B 75 16.589 0.622 -3.581 1.00 0.00 H new ATOM 0 HA VAL B 75 18.108 2.246 -1.661 1.00 0.00 H new ATOM 0 HB VAL B 75 16.108 2.166 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.866 3.974 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.627 4.192 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.694 3.591 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.892 1.726 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.676 1.238 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.935 0.285 -1.189 1.00 0.00 H new ATOM 1754 N GLU B 76 17.862 0.239 0.087 1.00 0.00 N ATOM 1755 CA GLU B 76 18.144 -0.975 0.829 1.00 0.00 C ATOM 1756 C GLU B 76 17.240 -1.033 2.055 1.00 0.00 C ATOM 1757 O GLU B 76 16.885 0.006 2.614 1.00 0.00 O ATOM 1758 CB GLU B 76 19.622 -1.005 1.234 1.00 0.00 C ATOM 1759 CG GLU B 76 20.098 -2.362 1.722 1.00 0.00 C ATOM 1760 CD GLU B 76 21.596 -2.404 1.956 1.00 0.00 C ATOM 1761 OE1 GLU B 76 22.347 -2.604 0.980 1.00 0.00 O1- ATOM 1762 OE2 GLU B 76 22.030 -2.235 3.116 1.00 0.00 O ATOM 0 H GLU B 76 17.919 1.094 0.641 1.00 0.00 H new ATOM 0 HA GLU B 76 17.946 -1.847 0.206 1.00 0.00 H new ATOM 0 HB2 GLU B 76 20.229 -0.703 0.380 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.788 -0.268 2.020 1.00 0.00 H new ATOM 0 HG2 GLU B 76 19.582 -2.612 2.649 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.827 -3.123 0.990 1.00 0.00 H new ATOM 1769 N ARG B 77 16.852 -2.246 2.446 1.00 0.00 N ATOM 1770 CA ARG B 77 15.955 -2.457 3.580 1.00 0.00 C ATOM 1771 C ARG B 77 16.433 -1.708 4.823 1.00 0.00 C ATOM 1772 O ARG B 77 17.505 -1.988 5.360 1.00 0.00 O ATOM 1773 CB ARG B 77 15.828 -3.955 3.882 1.00 0.00 C ATOM 1774 CG ARG B 77 15.151 -4.256 5.209 1.00 0.00 C ATOM 1775 CD ARG B 77 15.128 -5.748 5.511 1.00 0.00 C ATOM 1776 NE ARG B 77 14.143 -6.473 4.705 1.00 0.00 N ATOM 1777 CZ ARG B 77 14.295 -7.738 4.302 1.00 0.00 C ATOM 1778 NH1 ARG B 77 15.432 -8.380 4.535 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 13.311 -8.356 3.658 1.00 0.00 N ATOM 0 H ARG B 77 17.150 -3.107 1.987 1.00 0.00 H new ATOM 0 HA ARG B 77 14.977 -2.060 3.308 1.00 0.00 H new ATOM 0 HB2 ARG B 77 15.264 -4.432 3.080 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.822 -4.402 3.882 1.00 0.00 H new ATOM 0 HG2 ARG B 77 15.673 -3.732 6.010 1.00 0.00 H new ATOM 0 HG3 ARG B 77 14.130 -3.874 5.190 1.00 0.00 H new ATOM 0 HD2 ARG B 77 16.118 -6.166 5.330 1.00 0.00 H new ATOM 0 HD3 ARG B 77 14.907 -5.897 6.568 1.00 0.00 H new ATOM 0 HE ARG B 77 13.290 -5.983 4.435 1.00 0.00 H new ATOM 0 HH11 ARG B 77 16.193 -7.908 5.023 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.545 -9.346 4.226 1.00 0.00 H new ATOM 0 HH21 ARG B 77 12.437 -7.865 3.470 1.00 0.00 H new ATOM 0 HH22 ARG B 77 13.430 -9.322 3.351 1.00 0.00 H new ATOM 1793 N GLY B 78 15.637 -0.736 5.252 1.00 0.00 N ATOM 1794 CA GLY B 78 15.938 0.006 6.461 1.00 0.00 C ATOM 1795 C GLY B 78 16.665 1.311 6.195 1.00 0.00 C ATOM 1796 O GLY B 78 16.325 2.345 6.766 1.00 0.00 O ATOM 0 H GLY B 78 14.781 -0.447 4.779 1.00 0.00 H new ATOM 0 HA2 GLY B 78 15.009 0.216 6.991 1.00 0.00 H new ATOM 0 HA3 GLY B 78 16.547 -0.614 7.118 1.00 0.00 H new ATOM 1800 N ASP B 79 17.663 1.269 5.327 1.00 0.00 N ATOM 1801 CA ASP B 79 18.496 2.438 5.067 1.00 0.00 C ATOM 1802 C ASP B 79 17.954 3.281 3.921 1.00 0.00 C ATOM 1803 O ASP B 79 17.971 2.850 2.764 1.00 0.00 O ATOM 1804 CB ASP B 79 19.935 2.022 4.750 1.00 0.00 C ATOM 1805 CG ASP B 79 20.693 1.536 5.968 1.00 0.00 C ATOM 1806 OD1 ASP B 79 21.177 2.384 6.751 1.00 0.00 O1- ATOM 1807 OD2 ASP B 79 20.825 0.304 6.143 1.00 0.00 O ATOM 0 H ASP B 79 17.918 0.440 4.790 1.00 0.00 H new ATOM 0 HA ASP B 79 18.481 3.041 5.975 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.922 1.233 3.998 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.464 2.869 4.314 1.00 0.00 H new ATOM 1812 N VAL B 80 17.485 4.482 4.245 1.00 0.00 N ATOM 1813 CA VAL B 80 17.066 5.449 3.235 1.00 0.00 C ATOM 1814 C VAL B 80 16.768 6.823 3.859 1.00 0.00 C ATOM 1815 O VAL B 80 17.379 7.819 3.477 1.00 0.00 O ATOM 1816 CB VAL B 80 15.856 4.948 2.404 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.687 4.552 3.290 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.434 6.003 1.395 1.00 0.00 C ATOM 0 H VAL B 80 17.385 4.811 5.205 1.00 0.00 H new ATOM 0 HA VAL B 80 17.905 5.562 2.549 1.00 0.00 H new ATOM 0 HB VAL B 80 16.172 4.054 1.866 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.860 4.207 2.669 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.995 3.751 3.962 1.00 0.00 H new ATOM 0 HG13 VAL B 80 14.366 5.414 3.875 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.584 5.637 0.820 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.151 6.916 1.920 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.264 6.215 0.721 1.00 0.00 H new ATOM 1828 N ILE B 81 15.845 6.882 4.816 1.00 0.00 N ATOM 1829 CA ILE B 81 15.535 8.141 5.490 1.00 0.00 C ATOM 1830 C ILE B 81 15.795 8.028 6.985 1.00 0.00 C ATOM 1831 O ILE B 81 16.505 8.849 7.569 1.00 0.00 O ATOM 1832 CB ILE B 81 14.064 8.574 5.271 1.00 0.00 C ATOM 1833 CG1 ILE B 81 13.805 8.900 3.801 1.00 0.00 C ATOM 1834 CG2 ILE B 81 13.710 9.768 6.148 1.00 0.00 C ATOM 1835 CD1 ILE B 81 14.696 9.997 3.252 1.00 0.00 C ATOM 0 H ILE B 81 15.303 6.081 5.140 1.00 0.00 H new ATOM 0 HA ILE B 81 16.187 8.897 5.053 1.00 0.00 H new ATOM 0 HB ILE B 81 13.426 7.738 5.556 1.00 0.00 H new ATOM 0 HG12 ILE B 81 13.948 7.997 3.207 1.00 0.00 H new ATOM 0 HG13 ILE B 81 12.763 9.197 3.682 1.00 0.00 H new ATOM 0 HG21 ILE B 81 12.672 10.052 5.975 1.00 0.00 H new ATOM 0 HG22 ILE B 81 13.843 9.502 7.196 1.00 0.00 H new ATOM 0 HG23 ILE B 81 14.361 10.606 5.901 1.00 0.00 H new ATOM 0 HD11 ILE B 81 14.453 10.172 2.204 1.00 0.00 H new ATOM 0 HD12 ILE B 81 14.536 10.914 3.820 1.00 0.00 H new ATOM 0 HD13 ILE B 81 15.740 9.695 3.337 1.00 0.00 H new ATOM 1847 N SER B 82 15.234 6.997 7.594 1.00 0.00 N ATOM 1848 CA SER B 82 15.422 6.754 9.009 1.00 0.00 C ATOM 1849 C SER B 82 15.146 5.299 9.320 1.00 0.00 C ATOM 1850 O SER B 82 14.064 4.781 9.039 1.00 0.00 O ATOM 1851 CB SER B 82 14.508 7.665 9.836 1.00 0.00 C ATOM 1852 OG SER B 82 14.846 7.633 11.216 1.00 0.00 O ATOM 0 H SER B 82 14.641 6.312 7.124 1.00 0.00 H new ATOM 0 HA SER B 82 16.455 6.981 9.273 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.582 8.688 9.466 1.00 0.00 H new ATOM 0 HB3 SER B 82 13.471 7.354 9.708 1.00 0.00 H new ATOM 0 HG SER B 82 14.245 8.226 11.714 1.00 0.00 H new ATOM 1858 N ASP B 83 16.140 4.640 9.875 1.00 0.00 N ATOM 1859 CA ASP B 83 16.011 3.248 10.249 1.00 0.00 C ATOM 1860 C ASP B 83 15.562 3.141 11.692 1.00 0.00 C ATOM 1861 O ASP B 83 15.852 4.012 12.515 1.00 0.00 O ATOM 1862 CB ASP B 83 17.335 2.503 10.057 1.00 0.00 C ATOM 1863 CG ASP B 83 18.420 2.979 11.006 1.00 0.00 C ATOM 1864 OD1 ASP B 83 19.068 4.005 10.710 1.00 0.00 O1- ATOM 1865 OD2 ASP B 83 18.641 2.320 12.045 1.00 0.00 O ATOM 0 H ASP B 83 17.052 5.049 10.078 1.00 0.00 H new ATOM 0 HA ASP B 83 15.264 2.788 9.603 1.00 0.00 H new ATOM 0 HB2 ASP B 83 17.171 1.436 10.206 1.00 0.00 H new ATOM 0 HB3 ASP B 83 17.674 2.633 9.029 1.00 0.00 H new ATOM 1870 N GLY B 84 14.827 2.090 11.984 1.00 0.00 N ATOM 1871 CA GLY B 84 14.365 1.851 13.331 1.00 0.00 C ATOM 1872 C GLY B 84 12.982 1.252 13.337 1.00 0.00 C ATOM 1873 O GLY B 84 12.650 0.536 12.373 1.00 0.00 O ATOM 1874 OXT GLY B 84 12.217 1.505 14.289 1.00 0.00 O ATOM 0 H GLY B 84 14.537 1.387 11.304 1.00 0.00 H new ATOM 0 HA2 GLY B 84 15.056 1.180 13.841 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.360 2.788 13.888 1.00 0.00 H new TER 1878 GLY B 84