USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 TYR OH : rot -172:sc= -0.456! USER MOD Set 1.2: A 136 ASN : amide:sc= -1.32 K(o=-1.8,f=-6.1!) USER MOD Set 2.1: A 102 LYS NZ :NH3+ -114:sc= -2.31 (180deg=-4.95!) USER MOD Set 2.2: A 106 THR OG1 : rot -90:sc= 0.866 USER MOD Single : A 66 LYS NZ :NH3+ -136:sc= -0.0613 (180deg=-0.66) USER MOD Single : A 67 GLN : amide:sc=-0.00698 K(o=-0.007,f=-1.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.0058) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -30:sc= -0.0842 USER MOD Single : A 90 LYS NZ :NH3+ 136:sc= -6.46! (180deg=-8.71!) USER MOD Single : A 93 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.8!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -2.12! C(o=-2.1!,f=-3.8!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0435 K(o=-0.044,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= 0.886 (180deg=0.179!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 113 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.22) USER MOD Single : A 120 SER OG : rot 74:sc= 1.07 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 123 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 125 LYS NZ :NH3+ 161:sc= -0.0607 (180deg=-0.501) USER MOD Single : A 126 ASN : amide:sc= -0.072 K(o=-0.072,f=-2!) USER MOD Single : A 127 TYR OH : rot 15:sc= -0.32 USER MOD Single : A 130 SER OG : rot 90:sc= -1.32! USER MOD Single : A 134 SER OG : rot 61:sc= 1.28 USER MOD Single : A 135 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 137 MET CE :methyl -120:sc= -0.0414 (180deg=-1.38!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 82:sc= 0.297 USER MOD Single : A 145 THR OG1 : rot 76:sc= 0.111 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.398 3.734 -6.707 1.00 0.00 N ATOM 16 CA PHE A 65 8.140 3.853 -5.916 1.00 0.00 C ATOM 17 C PHE A 65 8.319 3.181 -4.549 1.00 0.00 C ATOM 18 O PHE A 65 7.754 3.599 -3.559 1.00 0.00 O ATOM 19 CB PHE A 65 7.005 3.172 -6.686 1.00 0.00 C ATOM 20 CG PHE A 65 7.221 1.674 -6.707 1.00 0.00 C ATOM 21 CD1 PHE A 65 7.995 1.088 -7.719 1.00 0.00 C ATOM 22 CD2 PHE A 65 6.645 0.871 -5.715 1.00 0.00 C ATOM 23 CE1 PHE A 65 8.189 -0.300 -7.738 1.00 0.00 C ATOM 24 CE2 PHE A 65 6.839 -0.517 -5.736 1.00 0.00 C ATOM 25 CZ PHE A 65 7.611 -1.102 -6.746 1.00 0.00 C ATOM 0 HA PHE A 65 7.900 4.905 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.048 3.403 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.964 3.556 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.442 1.706 -8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.051 1.321 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.784 -0.751 -8.518 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.392 -1.136 -4.972 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.761 -2.171 -6.760 1.00 0.00 H new ATOM 35 N LYS A 66 9.094 2.135 -4.494 1.00 0.00 N ATOM 36 CA LYS A 66 9.306 1.429 -3.198 1.00 0.00 C ATOM 37 C LYS A 66 9.948 2.385 -2.189 1.00 0.00 C ATOM 38 O LYS A 66 9.578 2.425 -1.033 1.00 0.00 O ATOM 39 CB LYS A 66 10.225 0.231 -3.423 1.00 0.00 C ATOM 40 CG LYS A 66 10.347 -0.568 -2.124 1.00 0.00 C ATOM 41 CD LYS A 66 11.188 -1.824 -2.369 1.00 0.00 C ATOM 42 CE LYS A 66 11.277 -2.631 -1.072 1.00 0.00 C ATOM 43 NZ LYS A 66 11.913 -1.798 -0.012 1.00 0.00 N ATOM 0 H LYS A 66 9.591 1.737 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 66 8.347 1.087 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.827 -0.402 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.209 0.570 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.809 0.045 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.357 -0.846 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.739 -2.428 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.186 -1.547 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.282 -2.943 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.859 -3.538 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.611 -2.369 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.388 -0.983 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.184 -1.460 0.648 1.00 0.00 H new ATOM 57 N GLN A 67 10.909 3.153 -2.618 1.00 0.00 N ATOM 58 CA GLN A 67 11.573 4.106 -1.686 1.00 0.00 C ATOM 59 C GLN A 67 10.528 5.084 -1.145 1.00 0.00 C ATOM 60 O GLN A 67 10.527 5.436 0.019 1.00 0.00 O ATOM 61 CB GLN A 67 12.648 4.881 -2.445 1.00 0.00 C ATOM 62 CG GLN A 67 13.352 5.851 -1.496 1.00 0.00 C ATOM 63 CD GLN A 67 14.537 6.499 -2.213 1.00 0.00 C ATOM 64 OE1 GLN A 67 15.006 5.999 -3.216 1.00 0.00 O ATOM 65 NE2 GLN A 67 15.046 7.603 -1.736 1.00 0.00 N ATOM 0 H GLN A 67 11.264 3.162 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 67 12.030 3.562 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.372 4.190 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.198 5.429 -3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.654 6.618 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.697 5.321 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.653 8.024 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.837 8.045 -2.205 1.00 0.00 H new ATOM 74 N VAL A 68 9.637 5.522 -1.988 1.00 0.00 N ATOM 75 CA VAL A 68 8.580 6.471 -1.543 1.00 0.00 C ATOM 76 C VAL A 68 7.681 5.777 -0.514 1.00 0.00 C ATOM 77 O VAL A 68 7.332 6.338 0.506 1.00 0.00 O ATOM 78 CB VAL A 68 7.752 6.889 -2.757 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.551 7.724 -2.306 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.622 7.717 -3.705 1.00 0.00 C ATOM 0 H VAL A 68 9.595 5.262 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 68 9.032 7.352 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 68 7.395 5.997 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.965 8.019 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.929 7.133 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.902 8.616 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.033 8.016 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.981 8.606 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.473 7.120 -4.033 1.00 0.00 H new ATOM 90 N ALA A 69 7.303 4.555 -0.781 1.00 0.00 N ATOM 91 CA ALA A 69 6.430 3.812 0.172 1.00 0.00 C ATOM 92 C ALA A 69 7.178 3.606 1.493 1.00 0.00 C ATOM 93 O ALA A 69 6.610 3.693 2.564 1.00 0.00 O ATOM 94 CB ALA A 69 6.080 2.454 -0.431 1.00 0.00 C ATOM 0 H ALA A 69 7.563 4.038 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 69 5.518 4.380 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.441 1.903 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.554 2.600 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.995 1.888 -0.609 1.00 0.00 H new ATOM 100 N ASP A 70 8.450 3.331 1.420 1.00 0.00 N ATOM 101 CA ASP A 70 9.248 3.117 2.660 1.00 0.00 C ATOM 102 C ASP A 70 9.286 4.412 3.478 1.00 0.00 C ATOM 103 O ASP A 70 9.175 4.402 4.688 1.00 0.00 O ATOM 104 CB ASP A 70 10.671 2.722 2.271 1.00 0.00 C ATOM 105 CG ASP A 70 11.510 2.502 3.532 1.00 0.00 C ATOM 106 OD1 ASP A 70 11.005 2.763 4.611 1.00 0.00 O ATOM 107 OD2 ASP A 70 12.646 2.079 3.395 1.00 0.00 O ATOM 0 H ASP A 70 8.975 3.245 0.550 1.00 0.00 H new ATOM 0 HA ASP A 70 8.793 2.328 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.655 1.812 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.120 3.502 1.656 1.00 0.00 H new ATOM 112 N ASP A 71 9.457 5.527 2.822 1.00 0.00 N ATOM 113 CA ASP A 71 9.514 6.828 3.551 1.00 0.00 C ATOM 114 C ASP A 71 8.180 7.091 4.253 1.00 0.00 C ATOM 115 O ASP A 71 8.133 7.481 5.404 1.00 0.00 O ATOM 116 CB ASP A 71 9.770 7.946 2.544 1.00 0.00 C ATOM 117 CG ASP A 71 11.211 7.872 2.040 1.00 0.00 C ATOM 118 OD1 ASP A 71 11.981 7.116 2.608 1.00 0.00 O ATOM 119 OD2 ASP A 71 11.520 8.573 1.091 1.00 0.00 O ATOM 0 H ASP A 71 9.560 5.594 1.809 1.00 0.00 H new ATOM 0 HA ASP A 71 10.312 6.793 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.078 7.859 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.587 8.915 3.009 1.00 0.00 H new ATOM 124 N TRP A 72 7.096 6.890 3.561 1.00 0.00 N ATOM 125 CA TRP A 72 5.761 7.134 4.171 1.00 0.00 C ATOM 126 C TRP A 72 5.528 6.128 5.297 1.00 0.00 C ATOM 127 O TRP A 72 4.995 6.451 6.339 1.00 0.00 O ATOM 128 CB TRP A 72 4.684 6.956 3.102 1.00 0.00 C ATOM 129 CG TRP A 72 3.364 7.415 3.635 1.00 0.00 C ATOM 130 CD1 TRP A 72 2.860 8.661 3.487 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.379 6.663 4.400 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.627 8.722 4.109 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.285 7.514 4.685 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.324 5.335 4.859 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.183 7.068 5.415 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.215 4.883 5.593 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.145 5.746 5.865 1.00 0.00 C ATOM 0 H TRP A 72 7.077 6.566 2.594 1.00 0.00 H new ATOM 0 HA TRP A 72 5.718 8.146 4.573 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.945 7.526 2.210 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.623 5.909 2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.342 9.476 2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.042 9.557 4.139 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.139 4.659 4.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.635 7.740 5.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.187 3.864 5.950 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.709 5.389 6.422 1.00 0.00 H new ATOM 148 N LEU A 73 5.905 4.901 5.082 1.00 0.00 N ATOM 149 CA LEU A 73 5.684 3.862 6.127 1.00 0.00 C ATOM 150 C LEU A 73 6.495 4.215 7.378 1.00 0.00 C ATOM 151 O LEU A 73 6.015 4.135 8.492 1.00 0.00 O ATOM 152 CB LEU A 73 6.142 2.503 5.572 1.00 0.00 C ATOM 153 CG LEU A 73 5.335 1.360 6.210 1.00 0.00 C ATOM 154 CD1 LEU A 73 5.424 1.442 7.740 1.00 0.00 C ATOM 155 CD2 LEU A 73 3.853 1.432 5.756 1.00 0.00 C ATOM 0 H LEU A 73 6.357 4.571 4.229 1.00 0.00 H new ATOM 0 HA LEU A 73 4.628 3.814 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.016 2.485 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.204 2.361 5.772 1.00 0.00 H new ATOM 0 HG LEU A 73 5.755 0.409 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.849 0.628 8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.466 1.360 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.020 2.397 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.292 0.618 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.424 2.386 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.800 1.343 4.671 1.00 0.00 H new ATOM 167 N LYS A 74 7.728 4.595 7.198 1.00 0.00 N ATOM 168 CA LYS A 74 8.579 4.942 8.365 1.00 0.00 C ATOM 169 C LYS A 74 7.971 6.138 9.095 1.00 0.00 C ATOM 170 O LYS A 74 7.896 6.169 10.308 1.00 0.00 O ATOM 171 CB LYS A 74 9.979 5.295 7.871 1.00 0.00 C ATOM 172 CG LYS A 74 10.903 5.534 9.067 1.00 0.00 C ATOM 173 CD LYS A 74 12.322 5.821 8.567 1.00 0.00 C ATOM 174 CE LYS A 74 13.247 6.044 9.765 1.00 0.00 C ATOM 175 NZ LYS A 74 14.636 6.293 9.284 1.00 0.00 N ATOM 0 H LYS A 74 8.183 4.680 6.289 1.00 0.00 H new ATOM 0 HA LYS A 74 8.637 4.096 9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.371 4.488 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.940 6.187 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.538 6.373 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.905 4.660 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.683 4.987 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.322 6.702 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.898 6.892 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.228 5.172 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.264 6.444 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.967 5.471 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.647 7.137 8.677 1.00 0.00 H new ATOM 189 N GLN A 75 7.543 7.122 8.361 1.00 0.00 N ATOM 190 CA GLN A 75 6.940 8.321 8.998 1.00 0.00 C ATOM 191 C GLN A 75 5.609 7.939 9.651 1.00 0.00 C ATOM 192 O GLN A 75 5.271 8.406 10.720 1.00 0.00 O ATOM 193 CB GLN A 75 6.700 9.387 7.931 1.00 0.00 C ATOM 194 CG GLN A 75 6.146 10.653 8.587 1.00 0.00 C ATOM 195 CD GLN A 75 5.971 11.744 7.530 1.00 0.00 C ATOM 196 OE1 GLN A 75 5.208 11.589 6.599 1.00 0.00 O ATOM 197 NE2 GLN A 75 6.657 12.850 7.636 1.00 0.00 N ATOM 0 H GLN A 75 7.585 7.148 7.342 1.00 0.00 H new ATOM 0 HA GLN A 75 7.615 8.711 9.760 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.631 9.612 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.999 9.016 7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.190 10.439 9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.823 10.996 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.298 12.979 8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.552 13.584 6.936 1.00 0.00 H new ATOM 206 N TYR A 76 4.848 7.098 9.008 1.00 0.00 N ATOM 207 CA TYR A 76 3.537 6.685 9.580 1.00 0.00 C ATOM 208 C TYR A 76 3.776 5.730 10.750 1.00 0.00 C ATOM 209 O TYR A 76 2.890 5.451 11.534 1.00 0.00 O ATOM 210 CB TYR A 76 2.715 5.988 8.497 1.00 0.00 C ATOM 211 CG TYR A 76 1.378 5.571 9.061 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.358 6.517 9.209 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.161 4.240 9.437 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.882 6.131 9.733 1.00 0.00 C ATOM 215 CE2 TYR A 76 -0.079 3.856 9.962 1.00 0.00 C ATOM 216 CZ TYR A 76 -1.099 4.800 10.111 1.00 0.00 C ATOM 217 OH TYR A 76 -2.320 4.421 10.629 1.00 0.00 O ATOM 0 H TYR A 76 5.079 6.678 8.108 1.00 0.00 H new ATOM 0 HA TYR A 76 2.994 7.560 9.937 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.570 6.658 7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.252 5.115 8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.527 7.544 8.919 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.949 3.510 9.322 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.671 6.860 9.846 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.247 2.829 10.252 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.304 3.464 10.838 1.00 0.00 H new ATOM 227 N ALA A 77 4.971 5.224 10.870 1.00 0.00 N ATOM 228 CA ALA A 77 5.279 4.287 11.986 1.00 0.00 C ATOM 229 C ALA A 77 5.422 5.080 13.290 1.00 0.00 C ATOM 230 O ALA A 77 5.563 4.520 14.359 1.00 0.00 O ATOM 231 CB ALA A 77 6.588 3.559 11.681 1.00 0.00 C ATOM 0 H ALA A 77 5.750 5.419 10.241 1.00 0.00 H new ATOM 0 HA ALA A 77 4.474 3.560 12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.820 2.871 12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.485 3.000 10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.394 4.286 11.580 1.00 0.00 H new ATOM 237 N ASN A 78 5.401 6.385 13.204 1.00 0.00 N ATOM 238 CA ASN A 78 5.553 7.227 14.424 1.00 0.00 C ATOM 239 C ASN A 78 4.194 7.475 15.080 1.00 0.00 C ATOM 240 O ASN A 78 3.172 7.511 14.426 1.00 0.00 O ATOM 241 CB ASN A 78 6.171 8.567 14.034 1.00 0.00 C ATOM 242 CG ASN A 78 7.596 8.343 13.529 1.00 0.00 C ATOM 243 OD1 ASN A 78 8.188 9.224 12.938 1.00 0.00 O ATOM 244 ND2 ASN A 78 8.174 7.189 13.726 1.00 0.00 N ATOM 0 H ASN A 78 5.284 6.905 12.334 1.00 0.00 H new ATOM 0 HA ASN A 78 6.196 6.705 15.133 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.570 9.045 13.260 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.179 9.239 14.892 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.121 7.028 13.384 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.678 6.448 14.222 1.00 0.00 H new ATOM 251 N ASP A 79 4.192 7.654 16.376 1.00 0.00 N ATOM 252 CA ASP A 79 2.921 7.913 17.115 1.00 0.00 C ATOM 253 C ASP A 79 2.018 6.682 17.020 1.00 0.00 C ATOM 254 O ASP A 79 0.820 6.759 17.221 1.00 0.00 O ATOM 255 CB ASP A 79 2.209 9.138 16.517 1.00 0.00 C ATOM 256 CG ASP A 79 1.185 9.685 17.518 1.00 0.00 C ATOM 257 OD1 ASP A 79 0.815 8.952 18.419 1.00 0.00 O ATOM 258 OD2 ASP A 79 0.790 10.829 17.363 1.00 0.00 O ATOM 0 H ASP A 79 5.028 7.631 16.960 1.00 0.00 H new ATOM 0 HA ASP A 79 3.145 8.114 18.163 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.939 9.910 16.271 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.711 8.862 15.587 1.00 0.00 H new ATOM 263 N VAL A 80 2.584 5.540 16.725 1.00 0.00 N ATOM 264 CA VAL A 80 1.764 4.295 16.628 1.00 0.00 C ATOM 265 C VAL A 80 2.559 3.103 17.172 1.00 0.00 C ATOM 266 O VAL A 80 3.775 3.103 17.188 1.00 0.00 O ATOM 267 CB VAL A 80 1.381 4.040 15.167 1.00 0.00 C ATOM 268 CG1 VAL A 80 2.634 4.064 14.289 1.00 0.00 C ATOM 269 CG2 VAL A 80 0.689 2.677 15.050 1.00 0.00 C ATOM 0 H VAL A 80 3.581 5.416 16.547 1.00 0.00 H new ATOM 0 HA VAL A 80 0.857 4.418 17.220 1.00 0.00 H new ATOM 0 HB VAL A 80 0.699 4.821 14.831 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.355 3.882 13.251 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.116 5.038 14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.325 3.289 14.620 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.416 2.495 14.010 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.367 1.894 15.389 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.210 2.671 15.667 1.00 0.00 H new ATOM 279 N LYS A 81 1.872 2.087 17.616 1.00 0.00 N ATOM 280 CA LYS A 81 2.564 0.889 18.160 1.00 0.00 C ATOM 281 C LYS A 81 3.271 0.125 17.034 1.00 0.00 C ATOM 282 O LYS A 81 2.794 0.050 15.918 1.00 0.00 O ATOM 283 CB LYS A 81 1.533 -0.026 18.819 1.00 0.00 C ATOM 284 CG LYS A 81 0.942 0.678 20.042 1.00 0.00 C ATOM 285 CD LYS A 81 -0.011 -0.266 20.787 1.00 0.00 C ATOM 286 CE LYS A 81 -1.324 -0.430 20.010 1.00 0.00 C ATOM 287 NZ LYS A 81 -2.339 -1.078 20.890 1.00 0.00 N ATOM 0 H LYS A 81 0.853 2.037 17.625 1.00 0.00 H new ATOM 0 HA LYS A 81 3.307 1.207 18.891 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.743 -0.273 18.110 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.000 -0.965 19.116 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.743 0.999 20.708 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.407 1.576 19.731 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.463 -1.239 20.921 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.218 0.128 21.782 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.685 0.542 19.674 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.159 -1.035 19.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.231 -1.191 20.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.993 -2.012 21.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.502 -0.484 21.728 1.00 0.00 H new ATOM 301 N VAL A 82 4.407 -0.445 17.331 1.00 0.00 N ATOM 302 CA VAL A 82 5.164 -1.213 16.304 1.00 0.00 C ATOM 303 C VAL A 82 4.374 -2.474 15.922 1.00 0.00 C ATOM 304 O VAL A 82 4.509 -3.002 14.838 1.00 0.00 O ATOM 305 CB VAL A 82 6.533 -1.601 16.887 1.00 0.00 C ATOM 306 CG1 VAL A 82 7.142 -0.392 17.599 1.00 0.00 C ATOM 307 CG2 VAL A 82 6.371 -2.750 17.890 1.00 0.00 C ATOM 0 H VAL A 82 4.846 -0.410 18.251 1.00 0.00 H new ATOM 0 HA VAL A 82 5.308 -0.606 15.410 1.00 0.00 H new ATOM 0 HB VAL A 82 7.187 -1.922 16.077 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.113 -0.665 18.013 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.267 0.424 16.888 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.481 -0.073 18.404 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.346 -3.018 18.297 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.713 -2.436 18.700 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.939 -3.614 17.386 1.00 0.00 H new ATOM 317 N SER A 83 3.566 -2.967 16.821 1.00 0.00 N ATOM 318 CA SER A 83 2.778 -4.198 16.525 1.00 0.00 C ATOM 319 C SER A 83 1.859 -3.956 15.323 1.00 0.00 C ATOM 320 O SER A 83 1.786 -4.755 14.407 1.00 0.00 O ATOM 321 CB SER A 83 1.927 -4.535 17.748 1.00 0.00 C ATOM 322 OG SER A 83 2.779 -4.823 18.852 1.00 0.00 O ATOM 0 H SER A 83 3.417 -2.570 17.749 1.00 0.00 H new ATOM 0 HA SER A 83 3.455 -5.020 16.294 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.270 -3.699 17.989 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.287 -5.391 17.535 1.00 0.00 H new ATOM 0 HG SER A 83 2.235 -5.038 19.638 1.00 0.00 H new ATOM 328 N SER A 84 1.159 -2.855 15.321 1.00 0.00 N ATOM 329 CA SER A 84 0.243 -2.551 14.185 1.00 0.00 C ATOM 330 C SER A 84 1.063 -2.230 12.934 1.00 0.00 C ATOM 331 O SER A 84 0.717 -2.612 11.834 1.00 0.00 O ATOM 332 CB SER A 84 -0.623 -1.351 14.552 1.00 0.00 C ATOM 333 OG SER A 84 0.215 -0.246 14.852 1.00 0.00 O ATOM 0 H SER A 84 1.182 -2.151 16.059 1.00 0.00 H new ATOM 0 HA SER A 84 -0.391 -3.414 13.984 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.291 -1.103 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.252 -1.590 15.410 1.00 0.00 H new ATOM 0 HG SER A 84 1.062 -0.569 15.223 1.00 0.00 H new ATOM 339 N VAL A 85 2.147 -1.527 13.099 1.00 0.00 N ATOM 340 CA VAL A 85 2.997 -1.172 11.929 1.00 0.00 C ATOM 341 C VAL A 85 3.633 -2.440 11.364 1.00 0.00 C ATOM 342 O VAL A 85 3.726 -2.622 10.167 1.00 0.00 O ATOM 343 CB VAL A 85 4.087 -0.194 12.368 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.001 0.125 11.184 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.438 1.099 12.865 1.00 0.00 C ATOM 0 H VAL A 85 2.483 -1.181 13.998 1.00 0.00 H new ATOM 0 HA VAL A 85 2.385 -0.702 11.159 1.00 0.00 H new ATOM 0 HB VAL A 85 4.674 -0.644 13.169 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.777 0.822 11.501 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.464 -0.794 10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.415 0.574 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.213 1.798 13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.852 1.544 12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.786 0.877 13.710 1.00 0.00 H new ATOM 355 N ARG A 86 4.092 -3.312 12.216 1.00 0.00 N ATOM 356 CA ARG A 86 4.737 -4.560 11.726 1.00 0.00 C ATOM 357 C ARG A 86 3.760 -5.307 10.821 1.00 0.00 C ATOM 358 O ARG A 86 4.105 -5.758 9.745 1.00 0.00 O ATOM 359 CB ARG A 86 5.081 -5.448 12.922 1.00 0.00 C ATOM 360 CG ARG A 86 5.951 -6.630 12.463 1.00 0.00 C ATOM 361 CD ARG A 86 7.351 -6.148 12.042 1.00 0.00 C ATOM 362 NE ARG A 86 7.351 -5.846 10.581 1.00 0.00 N ATOM 363 CZ ARG A 86 7.596 -6.788 9.705 1.00 0.00 C ATOM 364 NH1 ARG A 86 7.831 -8.008 10.104 1.00 0.00 N ATOM 365 NH2 ARG A 86 7.593 -6.506 8.432 1.00 0.00 N ATOM 0 H ARG A 86 4.048 -3.214 13.230 1.00 0.00 H new ATOM 0 HA ARG A 86 5.643 -4.313 11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.611 -4.867 13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.167 -5.817 13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.039 -7.357 13.270 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.470 -7.138 11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.627 -5.259 12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.094 -6.913 12.267 1.00 0.00 H new ATOM 0 HE ARG A 86 7.158 -4.897 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.824 -8.229 11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.022 -8.740 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.400 -5.554 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.783 -7.238 7.747 1.00 0.00 H new ATOM 379 N ALA A 87 2.535 -5.434 11.246 1.00 0.00 N ATOM 380 CA ALA A 87 1.534 -6.142 10.410 1.00 0.00 C ATOM 381 C ALA A 87 1.178 -5.262 9.210 1.00 0.00 C ATOM 382 O ALA A 87 0.690 -5.727 8.197 1.00 0.00 O ATOM 383 CB ALA A 87 0.286 -6.415 11.245 1.00 0.00 C ATOM 0 H ALA A 87 2.186 -5.078 12.136 1.00 0.00 H new ATOM 0 HA ALA A 87 1.942 -7.089 10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.453 -6.935 10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.550 -7.034 12.102 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.132 -5.471 11.594 1.00 0.00 H new ATOM 389 N ARG A 88 1.415 -3.986 9.323 1.00 0.00 N ATOM 390 CA ARG A 88 1.094 -3.065 8.201 1.00 0.00 C ATOM 391 C ARG A 88 2.215 -3.137 7.164 1.00 0.00 C ATOM 392 O ARG A 88 1.985 -3.035 5.976 1.00 0.00 O ATOM 393 CB ARG A 88 0.970 -1.635 8.739 1.00 0.00 C ATOM 394 CG ARG A 88 0.132 -0.788 7.774 1.00 0.00 C ATOM 395 CD ARG A 88 0.154 0.671 8.227 1.00 0.00 C ATOM 396 NE ARG A 88 -0.935 1.417 7.528 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.095 1.617 8.110 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.330 1.130 9.299 1.00 0.00 N ATOM 399 NH2 ARG A 88 -3.028 2.289 7.494 1.00 0.00 N ATOM 0 H ARG A 88 1.819 -3.541 10.147 1.00 0.00 H new ATOM 0 HA ARG A 88 0.151 -3.354 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.505 -1.647 9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.960 -1.194 8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.528 -0.872 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.894 -1.156 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.018 0.731 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.121 1.120 8.002 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.776 1.776 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.610 0.591 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.233 1.289 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.857 2.660 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.929 2.444 7.947 1.00 0.00 H new ATOM 413 N GLU A 89 3.433 -3.295 7.613 1.00 0.00 N ATOM 414 CA GLU A 89 4.580 -3.363 6.663 1.00 0.00 C ATOM 415 C GLU A 89 4.451 -4.620 5.804 1.00 0.00 C ATOM 416 O GLU A 89 4.582 -4.578 4.597 1.00 0.00 O ATOM 417 CB GLU A 89 5.889 -3.429 7.451 1.00 0.00 C ATOM 418 CG GLU A 89 7.072 -3.401 6.479 1.00 0.00 C ATOM 419 CD GLU A 89 8.385 -3.417 7.265 1.00 0.00 C ATOM 420 OE1 GLU A 89 8.338 -3.675 8.456 1.00 0.00 O ATOM 421 OE2 GLU A 89 9.417 -3.175 6.659 1.00 0.00 O ATOM 0 H GLU A 89 3.682 -3.380 8.599 1.00 0.00 H new ATOM 0 HA GLU A 89 4.578 -2.478 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.953 -2.589 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.919 -4.338 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.026 -4.261 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.021 -2.509 5.855 1.00 0.00 H new ATOM 428 N LYS A 90 4.196 -5.739 6.424 1.00 0.00 N ATOM 429 CA LYS A 90 4.060 -7.002 5.649 1.00 0.00 C ATOM 430 C LYS A 90 2.812 -6.905 4.764 1.00 0.00 C ATOM 431 O LYS A 90 2.748 -7.469 3.689 1.00 0.00 O ATOM 432 CB LYS A 90 3.938 -8.187 6.622 1.00 0.00 C ATOM 433 CG LYS A 90 2.554 -8.191 7.289 1.00 0.00 C ATOM 434 CD LYS A 90 2.482 -9.310 8.334 1.00 0.00 C ATOM 435 CE LYS A 90 1.014 -9.611 8.664 1.00 0.00 C ATOM 436 NZ LYS A 90 0.281 -8.339 8.931 1.00 0.00 N ATOM 0 H LYS A 90 4.076 -5.832 7.433 1.00 0.00 H new ATOM 0 HA LYS A 90 4.936 -7.157 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.093 -9.123 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.716 -8.123 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.366 -7.227 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.778 -8.334 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.972 -10.207 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.015 -9.013 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.547 -10.142 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.955 -10.264 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.640 -8.361 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.132 -8.232 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.839 -7.536 8.577 1.00 0.00 H new ATOM 450 N ALA A 91 1.809 -6.208 5.231 1.00 0.00 N ATOM 451 CA ALA A 91 0.551 -6.081 4.445 1.00 0.00 C ATOM 452 C ALA A 91 0.844 -5.395 3.109 1.00 0.00 C ATOM 453 O ALA A 91 0.320 -5.771 2.078 1.00 0.00 O ATOM 454 CB ALA A 91 -0.448 -5.245 5.244 1.00 0.00 C ATOM 0 H ALA A 91 1.809 -5.720 6.127 1.00 0.00 H new ATOM 0 HA ALA A 91 0.135 -7.070 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.374 -5.145 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.655 -5.736 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.028 -4.256 5.430 1.00 0.00 H new ATOM 460 N ILE A 92 1.676 -4.390 3.119 1.00 0.00 N ATOM 461 CA ILE A 92 2.005 -3.678 1.848 1.00 0.00 C ATOM 462 C ILE A 92 3.139 -4.414 1.126 1.00 0.00 C ATOM 463 O ILE A 92 3.390 -4.196 -0.041 1.00 0.00 O ATOM 464 CB ILE A 92 2.431 -2.240 2.164 1.00 0.00 C ATOM 465 CG1 ILE A 92 3.625 -2.251 3.127 1.00 0.00 C ATOM 466 CG2 ILE A 92 1.261 -1.497 2.817 1.00 0.00 C ATOM 467 CD1 ILE A 92 4.205 -0.840 3.252 1.00 0.00 C ATOM 0 H ILE A 92 2.143 -4.030 3.951 1.00 0.00 H new ATOM 0 HA ILE A 92 1.127 -3.657 1.203 1.00 0.00 H new ATOM 0 HB ILE A 92 2.718 -1.738 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.311 -2.613 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.390 -2.937 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.561 -0.474 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.412 -1.484 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.977 -2.004 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.053 -0.854 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.536 -0.495 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.440 -0.165 3.635 1.00 0.00 H new ATOM 479 N GLN A 93 3.835 -5.272 1.821 1.00 0.00 N ATOM 480 CA GLN A 93 4.964 -6.012 1.183 1.00 0.00 C ATOM 481 C GLN A 93 4.443 -6.794 -0.021 1.00 0.00 C ATOM 482 O GLN A 93 5.086 -6.875 -1.049 1.00 0.00 O ATOM 483 CB GLN A 93 5.572 -6.978 2.200 1.00 0.00 C ATOM 484 CG GLN A 93 6.741 -7.749 1.566 1.00 0.00 C ATOM 485 CD GLN A 93 6.211 -8.931 0.750 1.00 0.00 C ATOM 486 OE1 GLN A 93 5.159 -9.466 1.042 1.00 0.00 O ATOM 487 NE2 GLN A 93 6.901 -9.363 -0.270 1.00 0.00 N ATOM 0 H GLN A 93 3.672 -5.493 2.803 1.00 0.00 H new ATOM 0 HA GLN A 93 5.726 -5.306 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.921 -6.426 3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.812 -7.677 2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.320 -7.084 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.415 -8.107 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.784 -8.914 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.558 -10.149 -0.822 1.00 0.00 H new ATOM 496 N HIS A 94 3.282 -7.369 0.097 1.00 0.00 N ATOM 497 CA HIS A 94 2.716 -8.138 -1.043 1.00 0.00 C ATOM 498 C HIS A 94 2.440 -7.172 -2.195 1.00 0.00 C ATOM 499 O HIS A 94 2.682 -7.470 -3.348 1.00 0.00 O ATOM 500 CB HIS A 94 1.412 -8.798 -0.606 1.00 0.00 C ATOM 501 CG HIS A 94 1.704 -9.883 0.394 1.00 0.00 C ATOM 502 ND1 HIS A 94 2.177 -11.129 0.015 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.593 -9.925 1.763 1.00 0.00 C ATOM 504 CE1 HIS A 94 2.334 -11.861 1.132 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.991 -11.175 2.226 1.00 0.00 N ATOM 0 H HIS A 94 2.700 -7.340 0.934 1.00 0.00 H new ATOM 0 HA HIS A 94 3.419 -8.907 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.746 -8.055 -0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.897 -9.216 -1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.249 -9.112 2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.694 -12.879 1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.016 -11.498 3.193 1.00 0.00 H new ATOM 513 N ALA A 95 1.933 -6.011 -1.883 1.00 0.00 N ATOM 514 CA ALA A 95 1.638 -5.010 -2.946 1.00 0.00 C ATOM 515 C ALA A 95 2.950 -4.560 -3.598 1.00 0.00 C ATOM 516 O ALA A 95 3.047 -4.428 -4.802 1.00 0.00 O ATOM 517 CB ALA A 95 0.939 -3.808 -2.308 1.00 0.00 C ATOM 0 H ALA A 95 1.710 -5.712 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 95 0.993 -5.450 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.717 -3.067 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.011 -4.134 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.591 -3.366 -1.554 1.00 0.00 H new ATOM 523 N ILE A 96 3.960 -4.329 -2.808 1.00 0.00 N ATOM 524 CA ILE A 96 5.265 -3.886 -3.372 1.00 0.00 C ATOM 525 C ILE A 96 5.810 -4.986 -4.285 1.00 0.00 C ATOM 526 O ILE A 96 6.316 -4.727 -5.359 1.00 0.00 O ATOM 527 CB ILE A 96 6.251 -3.612 -2.229 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.786 -2.382 -1.437 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.646 -3.351 -2.804 1.00 0.00 C ATOM 530 CD1 ILE A 96 6.614 -2.241 -0.154 1.00 0.00 C ATOM 0 H ILE A 96 3.938 -4.428 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 96 5.131 -2.970 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 96 6.289 -4.478 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.891 -1.485 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.729 -2.477 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.344 -3.157 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.977 -4.224 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.611 -2.486 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.278 -1.366 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.487 -3.132 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.667 -2.125 -0.411 1.00 0.00 H new ATOM 542 N GLU A 97 5.707 -6.215 -3.862 1.00 0.00 N ATOM 543 CA GLU A 97 6.213 -7.340 -4.698 1.00 0.00 C ATOM 544 C GLU A 97 5.452 -7.363 -6.029 1.00 0.00 C ATOM 545 O GLU A 97 6.018 -7.602 -7.079 1.00 0.00 O ATOM 546 CB GLU A 97 5.978 -8.653 -3.953 1.00 0.00 C ATOM 547 CG GLU A 97 6.589 -9.813 -4.745 1.00 0.00 C ATOM 548 CD GLU A 97 6.375 -11.120 -3.978 1.00 0.00 C ATOM 549 OE1 GLU A 97 5.598 -11.115 -3.037 1.00 0.00 O ATOM 550 OE2 GLU A 97 6.993 -12.107 -4.346 1.00 0.00 O ATOM 0 H GLU A 97 5.293 -6.490 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 97 7.278 -7.211 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.424 -8.603 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.909 -8.818 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.128 -9.877 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.654 -9.640 -4.901 1.00 0.00 H new ATOM 557 N ARG A 98 4.169 -7.115 -5.992 1.00 0.00 N ATOM 558 CA ARG A 98 3.364 -7.118 -7.248 1.00 0.00 C ATOM 559 C ARG A 98 3.812 -5.960 -8.144 1.00 0.00 C ATOM 560 O ARG A 98 3.881 -6.083 -9.351 1.00 0.00 O ATOM 561 CB ARG A 98 1.881 -6.952 -6.900 1.00 0.00 C ATOM 562 CG ARG A 98 1.362 -8.233 -6.240 1.00 0.00 C ATOM 563 CD ARG A 98 -0.094 -8.041 -5.796 1.00 0.00 C ATOM 564 NE ARG A 98 -0.958 -7.837 -6.992 1.00 0.00 N ATOM 565 CZ ARG A 98 -2.235 -7.574 -6.855 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.766 -7.494 -5.667 1.00 0.00 N ATOM 567 NH2 ARG A 98 -2.978 -7.396 -7.913 1.00 0.00 N ATOM 0 H ARG A 98 3.643 -6.910 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 98 3.512 -8.061 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.747 -6.105 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.307 -6.737 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.431 -9.066 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.983 -8.486 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.432 -8.912 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.171 -7.183 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.553 -7.902 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.187 -7.636 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.760 -7.289 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.565 -7.462 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.972 -7.191 -7.810 1.00 0.00 H new ATOM 581 N PHE A 99 4.116 -4.832 -7.557 1.00 0.00 N ATOM 582 CA PHE A 99 4.557 -3.659 -8.365 1.00 0.00 C ATOM 583 C PHE A 99 6.078 -3.701 -8.531 1.00 0.00 C ATOM 584 O PHE A 99 6.697 -2.744 -8.952 1.00 0.00 O ATOM 585 CB PHE A 99 4.142 -2.363 -7.658 1.00 0.00 C ATOM 586 CG PHE A 99 2.627 -2.292 -7.558 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.842 -2.290 -8.720 1.00 0.00 C ATOM 588 CD2 PHE A 99 2.004 -2.240 -6.300 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.447 -2.237 -8.625 1.00 0.00 C ATOM 590 CE2 PHE A 99 0.607 -2.191 -6.209 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.171 -2.189 -7.371 1.00 0.00 C ATOM 0 H PHE A 99 4.077 -4.673 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 99 4.087 -3.693 -9.348 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.583 -2.324 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.520 -1.501 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.315 -2.329 -9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.603 -2.238 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.154 -2.233 -9.522 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.130 -2.155 -5.241 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.248 -2.150 -7.300 1.00 0.00 H new ATOM 601 N ASN A 100 6.685 -4.810 -8.205 1.00 0.00 N ATOM 602 CA ASN A 100 8.163 -4.922 -8.345 1.00 0.00 C ATOM 603 C ASN A 100 8.551 -4.790 -9.821 1.00 0.00 C ATOM 604 O ASN A 100 9.518 -4.134 -10.159 1.00 0.00 O ATOM 605 CB ASN A 100 8.616 -6.283 -7.821 1.00 0.00 C ATOM 606 CG ASN A 100 10.126 -6.437 -8.013 1.00 0.00 C ATOM 607 OD1 ASN A 100 10.753 -5.630 -8.671 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.742 -7.452 -7.466 1.00 0.00 N ATOM 0 H ASN A 100 6.219 -5.644 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 100 8.644 -4.129 -7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.363 -6.379 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.090 -7.079 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.748 -7.566 -7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.217 -8.130 -6.914 1.00 0.00 H new ATOM 615 N THR A 101 7.803 -5.412 -10.700 1.00 0.00 N ATOM 616 CA THR A 101 8.115 -5.329 -12.161 1.00 0.00 C ATOM 617 C THR A 101 7.125 -4.384 -12.834 1.00 0.00 C ATOM 618 O THR A 101 7.323 -3.973 -13.959 1.00 0.00 O ATOM 619 CB THR A 101 8.001 -6.718 -12.789 1.00 0.00 C ATOM 620 OG1 THR A 101 6.648 -7.141 -12.745 1.00 0.00 O ATOM 621 CG2 THR A 101 8.872 -7.703 -12.011 1.00 0.00 C ATOM 0 H THR A 101 6.986 -5.976 -10.467 1.00 0.00 H new ATOM 0 HA THR A 101 9.130 -4.954 -12.296 1.00 0.00 H new ATOM 0 HB THR A 101 8.338 -6.681 -13.825 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.570 -8.031 -13.148 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.790 -8.693 -12.459 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.911 -7.374 -12.043 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.537 -7.745 -10.975 1.00 0.00 H new ATOM 629 N LYS A 102 6.058 -4.034 -12.153 1.00 0.00 N ATOM 630 CA LYS A 102 5.049 -3.105 -12.751 1.00 0.00 C ATOM 631 C LYS A 102 5.169 -1.724 -12.078 1.00 0.00 C ATOM 632 O LYS A 102 4.800 -1.571 -10.931 1.00 0.00 O ATOM 633 CB LYS A 102 3.644 -3.659 -12.530 1.00 0.00 C ATOM 634 CG LYS A 102 3.642 -5.149 -12.862 1.00 0.00 C ATOM 635 CD LYS A 102 2.203 -5.640 -13.010 1.00 0.00 C ATOM 636 CE LYS A 102 1.450 -5.450 -11.690 1.00 0.00 C ATOM 637 NZ LYS A 102 0.997 -4.033 -11.576 1.00 0.00 N ATOM 0 H LYS A 102 5.844 -4.353 -11.208 1.00 0.00 H new ATOM 0 HA LYS A 102 5.233 -3.009 -13.821 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.336 -3.503 -11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.927 -3.132 -13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.194 -5.327 -13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.148 -5.708 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.702 -5.091 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.196 -6.692 -13.295 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.593 -6.122 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.096 -5.705 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.495 -3.572 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.207 -3.529 -12.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.028 -4.009 -11.399 1.00 0.00 H new ATOM 651 N PRO A 103 5.673 -0.719 -12.768 1.00 0.00 N ATOM 652 CA PRO A 103 5.820 0.647 -12.184 1.00 0.00 C ATOM 653 C PRO A 103 4.532 1.141 -11.504 1.00 0.00 C ATOM 654 O PRO A 103 3.434 0.810 -11.903 1.00 0.00 O ATOM 655 CB PRO A 103 6.163 1.532 -13.399 1.00 0.00 C ATOM 656 CG PRO A 103 6.777 0.605 -14.403 1.00 0.00 C ATOM 657 CD PRO A 103 6.169 -0.778 -14.157 1.00 0.00 C ATOM 0 HA PRO A 103 6.578 0.668 -11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.270 2.011 -13.801 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.855 2.327 -13.123 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.570 0.943 -15.418 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.861 0.576 -14.291 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.362 -0.988 -14.859 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.912 -1.566 -14.281 1.00 0.00 H new ATOM 665 N ILE A 104 4.672 1.925 -10.469 1.00 0.00 N ATOM 666 CA ILE A 104 3.476 2.439 -9.745 1.00 0.00 C ATOM 667 C ILE A 104 2.510 3.074 -10.751 1.00 0.00 C ATOM 668 O ILE A 104 1.308 3.062 -10.572 1.00 0.00 O ATOM 669 CB ILE A 104 3.928 3.483 -8.715 1.00 0.00 C ATOM 670 CG1 ILE A 104 2.757 3.840 -7.796 1.00 0.00 C ATOM 671 CG2 ILE A 104 4.418 4.746 -9.431 1.00 0.00 C ATOM 672 CD1 ILE A 104 3.264 4.667 -6.610 1.00 0.00 C ATOM 0 H ILE A 104 5.569 2.233 -10.093 1.00 0.00 H new ATOM 0 HA ILE A 104 2.967 1.623 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 104 4.743 3.067 -8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.006 4.403 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.273 2.931 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.737 5.482 -8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.258 4.494 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.608 5.161 -10.031 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.428 4.919 -5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.999 4.088 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.727 5.583 -6.977 1.00 0.00 H new ATOM 684 N GLN A 105 3.033 3.636 -11.803 1.00 0.00 N ATOM 685 CA GLN A 105 2.161 4.282 -12.824 1.00 0.00 C ATOM 686 C GLN A 105 1.266 3.227 -13.490 1.00 0.00 C ATOM 687 O GLN A 105 0.376 3.546 -14.251 1.00 0.00 O ATOM 688 CB GLN A 105 3.047 4.954 -13.875 1.00 0.00 C ATOM 689 CG GLN A 105 2.188 5.796 -14.821 1.00 0.00 C ATOM 690 CD GLN A 105 3.094 6.649 -15.713 1.00 0.00 C ATOM 691 OE1 GLN A 105 4.253 6.853 -15.409 1.00 0.00 O ATOM 692 NE2 GLN A 105 2.608 7.165 -16.810 1.00 0.00 N ATOM 0 H GLN A 105 4.033 3.676 -12.002 1.00 0.00 H new ATOM 0 HA GLN A 105 1.525 5.028 -12.347 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.790 5.584 -13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.592 4.198 -14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.562 5.148 -15.435 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.518 6.436 -14.247 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.636 6.995 -17.066 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.201 7.738 -17.410 1.00 0.00 H new ATOM 701 N THR A 106 1.497 1.966 -13.218 1.00 0.00 N ATOM 702 CA THR A 106 0.661 0.901 -13.848 1.00 0.00 C ATOM 703 C THR A 106 -0.552 0.595 -12.965 1.00 0.00 C ATOM 704 O THR A 106 -1.310 -0.318 -13.233 1.00 0.00 O ATOM 705 CB THR A 106 1.501 -0.368 -14.029 1.00 0.00 C ATOM 706 OG1 THR A 106 1.932 -0.829 -12.759 1.00 0.00 O ATOM 707 CG2 THR A 106 2.723 -0.062 -14.904 1.00 0.00 C ATOM 0 H THR A 106 2.226 1.630 -12.589 1.00 0.00 H new ATOM 0 HA THR A 106 0.312 1.249 -14.820 1.00 0.00 H new ATOM 0 HB THR A 106 0.897 -1.136 -14.513 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.798 -0.425 -12.541 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.317 -0.968 -15.029 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.392 0.293 -15.880 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.330 0.706 -14.425 1.00 0.00 H new ATOM 715 N ILE A 107 -0.757 1.350 -11.918 1.00 0.00 N ATOM 716 CA ILE A 107 -1.935 1.085 -11.045 1.00 0.00 C ATOM 717 C ILE A 107 -3.185 1.688 -11.690 1.00 0.00 C ATOM 718 O ILE A 107 -3.270 2.884 -11.895 1.00 0.00 O ATOM 719 CB ILE A 107 -1.716 1.712 -9.668 1.00 0.00 C ATOM 720 CG1 ILE A 107 -0.577 0.978 -8.961 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.999 1.600 -8.836 1.00 0.00 C ATOM 722 CD1 ILE A 107 -0.186 1.730 -7.689 1.00 0.00 C ATOM 0 H ILE A 107 -0.166 2.131 -11.633 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.063 0.009 -10.928 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.459 2.765 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.885 -0.038 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.283 0.897 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.837 2.048 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.809 2.122 -9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.264 0.550 -8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.626 1.202 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.141 2.737 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.046 1.788 -7.022 1.00 0.00 H new ATOM 734 N LYS A 108 -4.155 0.865 -12.007 1.00 0.00 N ATOM 735 CA LYS A 108 -5.411 1.363 -12.642 1.00 0.00 C ATOM 736 C LYS A 108 -6.594 1.139 -11.696 1.00 0.00 C ATOM 737 O LYS A 108 -6.437 0.690 -10.578 1.00 0.00 O ATOM 738 CB LYS A 108 -5.652 0.593 -13.937 1.00 0.00 C ATOM 739 CG LYS A 108 -4.640 1.048 -14.992 1.00 0.00 C ATOM 740 CD LYS A 108 -4.712 0.132 -16.218 1.00 0.00 C ATOM 741 CE LYS A 108 -6.134 0.126 -16.784 1.00 0.00 C ATOM 742 NZ LYS A 108 -6.113 -0.405 -18.176 1.00 0.00 N ATOM 0 H LYS A 108 -4.127 -0.142 -11.850 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.314 2.428 -12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.554 -0.478 -13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.668 0.766 -14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.846 2.078 -15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.634 1.031 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.010 0.473 -16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.417 -0.881 -15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.783 -0.488 -16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.545 1.136 -16.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.079 -0.409 -18.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.507 0.198 -18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.738 -1.375 -18.172 1.00 0.00 H new ATOM 756 N LYS A 109 -7.776 1.458 -12.142 1.00 0.00 N ATOM 757 CA LYS A 109 -8.983 1.277 -11.289 1.00 0.00 C ATOM 758 C LYS A 109 -9.203 -0.213 -10.993 1.00 0.00 C ATOM 759 O LYS A 109 -9.489 -0.603 -9.878 1.00 0.00 O ATOM 760 CB LYS A 109 -10.195 1.818 -12.051 1.00 0.00 C ATOM 761 CG LYS A 109 -10.071 3.336 -12.264 1.00 0.00 C ATOM 762 CD LYS A 109 -10.513 4.090 -11.005 1.00 0.00 C ATOM 763 CE LYS A 109 -10.413 5.596 -11.247 1.00 0.00 C ATOM 764 NZ LYS A 109 -10.839 6.314 -10.014 1.00 0.00 N ATOM 0 H LYS A 109 -7.959 1.840 -13.070 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.849 1.809 -10.347 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.278 1.316 -13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.107 1.597 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.040 3.593 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.683 3.642 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.537 3.820 -10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.887 3.805 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.390 5.869 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.043 5.885 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.407 7.145 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.409 5.677 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.999 6.622 -9.484 1.00 0.00 H new ATOM 778 N HIS A 110 -9.085 -1.046 -11.989 1.00 0.00 N ATOM 779 CA HIS A 110 -9.296 -2.505 -11.771 1.00 0.00 C ATOM 780 C HIS A 110 -8.170 -3.068 -10.898 1.00 0.00 C ATOM 781 O HIS A 110 -8.392 -3.876 -10.019 1.00 0.00 O ATOM 782 CB HIS A 110 -9.299 -3.218 -13.120 1.00 0.00 C ATOM 783 CG HIS A 110 -10.512 -2.807 -13.910 1.00 0.00 C ATOM 784 ND1 HIS A 110 -11.792 -3.203 -13.560 1.00 0.00 N ATOM 785 CD2 HIS A 110 -10.652 -2.042 -15.042 1.00 0.00 C ATOM 786 CE1 HIS A 110 -12.640 -2.679 -14.463 1.00 0.00 C ATOM 787 NE2 HIS A 110 -11.998 -1.963 -15.389 1.00 0.00 N ATOM 0 H HIS A 110 -8.851 -0.780 -12.945 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.250 -2.662 -11.268 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -8.393 -2.973 -13.674 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.299 -4.298 -12.971 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.842 -1.573 -15.581 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.710 -2.820 -14.442 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.406 -1.465 -16.180 1.00 0.00 H new ATOM 795 N ASP A 111 -6.960 -2.654 -11.152 1.00 0.00 N ATOM 796 CA ASP A 111 -5.806 -3.162 -10.357 1.00 0.00 C ATOM 797 C ASP A 111 -5.954 -2.736 -8.893 1.00 0.00 C ATOM 798 O ASP A 111 -5.706 -3.501 -7.981 1.00 0.00 O ATOM 799 CB ASP A 111 -4.519 -2.573 -10.930 1.00 0.00 C ATOM 800 CG ASP A 111 -3.314 -3.098 -10.149 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.523 -3.777 -9.158 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.200 -2.804 -10.553 1.00 0.00 O ATOM 0 H ASP A 111 -6.719 -1.982 -11.880 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.776 -4.250 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.425 -2.838 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.552 -1.485 -10.877 1.00 0.00 H new ATOM 807 N TYR A 112 -6.347 -1.513 -8.661 1.00 0.00 N ATOM 808 CA TYR A 112 -6.505 -1.028 -7.259 1.00 0.00 C ATOM 809 C TYR A 112 -7.583 -1.856 -6.553 1.00 0.00 C ATOM 810 O TYR A 112 -7.404 -2.316 -5.442 1.00 0.00 O ATOM 811 CB TYR A 112 -6.926 0.438 -7.281 1.00 0.00 C ATOM 812 CG TYR A 112 -7.017 0.957 -5.868 1.00 0.00 C ATOM 813 CD1 TYR A 112 -8.146 0.678 -5.089 1.00 0.00 C ATOM 814 CD2 TYR A 112 -5.965 1.711 -5.333 1.00 0.00 C ATOM 815 CE1 TYR A 112 -8.225 1.156 -3.775 1.00 0.00 C ATOM 816 CE2 TYR A 112 -6.044 2.189 -4.020 1.00 0.00 C ATOM 817 CZ TYR A 112 -7.174 1.911 -3.241 1.00 0.00 C ATOM 818 OH TYR A 112 -7.251 2.381 -1.946 1.00 0.00 O ATOM 0 H TYR A 112 -6.566 -0.827 -9.383 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.560 -1.131 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -6.205 1.026 -7.850 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.889 0.543 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -8.956 0.094 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.093 1.924 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -9.096 0.942 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -5.234 2.772 -3.608 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.507 2.995 -1.776 1.00 0.00 H new ATOM 828 N GLN A 113 -8.703 -2.046 -7.194 1.00 0.00 N ATOM 829 CA GLN A 113 -9.798 -2.845 -6.576 1.00 0.00 C ATOM 830 C GLN A 113 -9.320 -4.287 -6.404 1.00 0.00 C ATOM 831 O GLN A 113 -9.621 -4.947 -5.427 1.00 0.00 O ATOM 832 CB GLN A 113 -11.023 -2.809 -7.491 1.00 0.00 C ATOM 833 CG GLN A 113 -11.695 -1.435 -7.414 1.00 0.00 C ATOM 834 CD GLN A 113 -12.318 -1.250 -6.031 1.00 0.00 C ATOM 835 OE1 GLN A 113 -13.344 -1.827 -5.732 1.00 0.00 O ATOM 836 NE2 GLN A 113 -11.724 -0.480 -5.161 1.00 0.00 N ATOM 0 H GLN A 113 -8.908 -1.680 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.064 -2.431 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.726 -3.021 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.729 -3.585 -7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.964 -0.649 -7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.461 -1.349 -8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.862 0.004 -5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.121 -0.362 -4.229 1.00 0.00 H new ATOM 845 N ARG A 114 -8.570 -4.777 -7.350 1.00 0.00 N ATOM 846 CA ARG A 114 -8.055 -6.171 -7.260 1.00 0.00 C ATOM 847 C ARG A 114 -7.190 -6.307 -6.004 1.00 0.00 C ATOM 848 O ARG A 114 -7.278 -7.273 -5.272 1.00 0.00 O ATOM 849 CB ARG A 114 -7.210 -6.461 -8.502 1.00 0.00 C ATOM 850 CG ARG A 114 -6.732 -7.916 -8.479 1.00 0.00 C ATOM 851 CD ARG A 114 -5.909 -8.209 -9.739 1.00 0.00 C ATOM 852 NE ARG A 114 -5.610 -9.667 -9.795 1.00 0.00 N ATOM 853 CZ ARG A 114 -4.925 -10.169 -10.791 1.00 0.00 C ATOM 854 NH1 ARG A 114 -4.485 -9.392 -11.742 1.00 0.00 N ATOM 855 NH2 ARG A 114 -4.682 -11.449 -10.831 1.00 0.00 N ATOM 0 H ARG A 114 -8.290 -4.268 -8.188 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.883 -6.877 -7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.796 -6.276 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.353 -5.788 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.129 -8.097 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.588 -8.589 -8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.460 -7.903 -10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.983 -7.635 -9.725 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.942 -10.280 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.674 -8.390 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.951 -9.786 -12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.025 -12.057 -10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.148 -11.843 -11.606 1.00 0.00 H new ATOM 869 N PHE A 115 -6.357 -5.338 -5.751 1.00 0.00 N ATOM 870 CA PHE A 115 -5.484 -5.390 -4.544 1.00 0.00 C ATOM 871 C PHE A 115 -6.344 -5.395 -3.279 1.00 0.00 C ATOM 872 O PHE A 115 -6.088 -6.132 -2.351 1.00 0.00 O ATOM 873 CB PHE A 115 -4.562 -4.174 -4.529 1.00 0.00 C ATOM 874 CG PHE A 115 -3.750 -4.172 -3.251 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.848 -5.212 -2.994 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.906 -3.136 -2.319 1.00 0.00 C ATOM 877 CE1 PHE A 115 -2.103 -5.215 -1.809 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.160 -3.141 -1.131 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.259 -4.181 -0.877 1.00 0.00 C ATOM 0 H PHE A 115 -6.242 -4.507 -6.331 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.886 -6.301 -4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.899 -4.196 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.149 -3.258 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.727 -6.012 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.601 -2.333 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.406 -6.016 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.281 -2.343 -0.413 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.684 -4.186 0.037 1.00 0.00 H new ATOM 889 N VAL A 116 -7.348 -4.562 -3.229 1.00 0.00 N ATOM 890 CA VAL A 116 -8.214 -4.495 -2.015 1.00 0.00 C ATOM 891 C VAL A 116 -8.858 -5.865 -1.767 1.00 0.00 C ATOM 892 O VAL A 116 -8.876 -6.368 -0.661 1.00 0.00 O ATOM 893 CB VAL A 116 -9.310 -3.454 -2.247 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.307 -3.483 -1.087 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.685 -2.060 -2.349 1.00 0.00 C ATOM 0 H VAL A 116 -7.607 -3.922 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.614 -4.217 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.831 -3.686 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.085 -2.739 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.759 -4.473 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.788 -3.258 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.469 -1.321 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.158 -1.829 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.983 -2.036 -3.182 1.00 0.00 H new ATOM 905 N ASP A 117 -9.390 -6.466 -2.794 1.00 0.00 N ATOM 906 CA ASP A 117 -10.037 -7.802 -2.638 1.00 0.00 C ATOM 907 C ASP A 117 -8.980 -8.852 -2.271 1.00 0.00 C ATOM 908 O ASP A 117 -9.237 -9.769 -1.515 1.00 0.00 O ATOM 909 CB ASP A 117 -10.703 -8.183 -3.956 1.00 0.00 C ATOM 910 CG ASP A 117 -11.378 -9.550 -3.819 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.269 -9.670 -2.995 1.00 0.00 O ATOM 912 OD2 ASP A 117 -10.991 -10.451 -4.545 1.00 0.00 O ATOM 0 H ASP A 117 -9.405 -6.088 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.783 -7.760 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -11.440 -7.429 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.961 -8.212 -4.754 1.00 0.00 H new ATOM 917 N ASP A 118 -7.799 -8.735 -2.816 1.00 0.00 N ATOM 918 CA ASP A 118 -6.730 -9.733 -2.512 1.00 0.00 C ATOM 919 C ASP A 118 -6.409 -9.715 -1.013 1.00 0.00 C ATOM 920 O ASP A 118 -6.294 -10.746 -0.380 1.00 0.00 O ATOM 921 CB ASP A 118 -5.469 -9.366 -3.291 1.00 0.00 C ATOM 922 CG ASP A 118 -5.667 -9.673 -4.777 1.00 0.00 C ATOM 923 OD1 ASP A 118 -6.598 -10.392 -5.097 1.00 0.00 O ATOM 924 OD2 ASP A 118 -4.879 -9.184 -5.570 1.00 0.00 O ATOM 0 H ASP A 118 -7.527 -7.991 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.075 -10.727 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.243 -8.308 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.617 -9.926 -2.905 1.00 0.00 H new ATOM 929 N ILE A 119 -6.256 -8.549 -0.442 1.00 0.00 N ATOM 930 CA ILE A 119 -5.933 -8.468 1.012 1.00 0.00 C ATOM 931 C ILE A 119 -7.180 -8.786 1.842 1.00 0.00 C ATOM 932 O ILE A 119 -7.094 -9.199 2.981 1.00 0.00 O ATOM 933 CB ILE A 119 -5.430 -7.062 1.353 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.486 -6.022 0.964 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.136 -6.782 0.587 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.057 -4.642 1.463 1.00 0.00 C ATOM 0 H ILE A 119 -6.341 -7.651 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.155 -9.195 1.245 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.242 -7.000 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.612 -6.005 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.451 -6.291 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.779 -5.781 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.381 -7.516 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.326 -6.849 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.810 -3.904 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.953 -4.663 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.102 -4.373 1.012 1.00 0.00 H new ATOM 948 N SER A 120 -8.339 -8.584 1.283 1.00 0.00 N ATOM 949 CA SER A 120 -9.588 -8.865 2.043 1.00 0.00 C ATOM 950 C SER A 120 -9.639 -10.348 2.414 1.00 0.00 C ATOM 951 O SER A 120 -10.041 -10.718 3.500 1.00 0.00 O ATOM 952 CB SER A 120 -10.799 -8.507 1.184 1.00 0.00 C ATOM 953 OG SER A 120 -10.691 -7.156 0.751 1.00 0.00 O ATOM 0 H SER A 120 -8.476 -8.237 0.334 1.00 0.00 H new ATOM 0 HA SER A 120 -9.602 -8.266 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.857 -9.173 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.717 -8.645 1.755 1.00 0.00 H new ATOM 0 HG SER A 120 -10.010 -7.091 0.049 1.00 0.00 H new ATOM 959 N ALA A 121 -9.243 -11.200 1.511 1.00 0.00 N ATOM 960 CA ALA A 121 -9.272 -12.663 1.794 1.00 0.00 C ATOM 961 C ALA A 121 -8.076 -13.054 2.666 1.00 0.00 C ATOM 962 O ALA A 121 -7.990 -14.167 3.148 1.00 0.00 O ATOM 963 CB ALA A 121 -9.204 -13.423 0.473 1.00 0.00 C ATOM 0 H ALA A 121 -8.899 -10.946 0.585 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.192 -12.911 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.225 -14.495 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -10.058 -13.151 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.281 -13.167 -0.047 1.00 0.00 H new ATOM 969 N GLN A 122 -7.146 -12.150 2.868 1.00 0.00 N ATOM 970 CA GLN A 122 -5.946 -12.462 3.705 1.00 0.00 C ATOM 971 C GLN A 122 -6.051 -11.721 5.035 1.00 0.00 C ATOM 972 O GLN A 122 -5.424 -12.089 6.011 1.00 0.00 O ATOM 973 CB GLN A 122 -4.689 -12.003 2.968 1.00 0.00 C ATOM 974 CG GLN A 122 -4.496 -12.855 1.712 1.00 0.00 C ATOM 975 CD GLN A 122 -3.288 -12.348 0.924 1.00 0.00 C ATOM 976 OE1 GLN A 122 -2.604 -11.440 1.355 1.00 0.00 O ATOM 977 NE2 GLN A 122 -2.996 -12.901 -0.220 1.00 0.00 N ATOM 0 H GLN A 122 -7.168 -11.204 2.486 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.894 -13.535 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.777 -10.951 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.819 -12.093 3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.349 -13.899 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.391 -12.812 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.571 -13.663 -0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.192 -12.572 -0.755 1.00 0.00 H new ATOM 986 N TYR A 123 -6.838 -10.674 5.082 1.00 0.00 N ATOM 987 CA TYR A 123 -6.987 -9.893 6.349 1.00 0.00 C ATOM 988 C TYR A 123 -8.454 -9.542 6.582 1.00 0.00 C ATOM 989 O TYR A 123 -9.257 -9.521 5.672 1.00 0.00 O ATOM 990 CB TYR A 123 -6.173 -8.605 6.258 1.00 0.00 C ATOM 991 CG TYR A 123 -4.710 -8.945 6.129 1.00 0.00 C ATOM 992 CD1 TYR A 123 -3.955 -9.229 7.272 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.108 -8.971 4.867 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.597 -9.542 7.154 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.749 -9.284 4.747 1.00 0.00 C ATOM 996 CZ TYR A 123 -1.994 -9.569 5.892 1.00 0.00 C ATOM 997 OH TYR A 123 -0.654 -9.876 5.774 1.00 0.00 O ATOM 0 H TYR A 123 -7.385 -10.326 4.295 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.626 -10.500 7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.498 -8.016 5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.339 -7.994 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.421 -9.207 8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.691 -8.750 3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.014 -9.763 8.036 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.283 -9.306 3.773 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.395 -9.852 4.829 1.00 0.00 H new ATOM 1007 N SER A 124 -8.805 -9.270 7.808 1.00 0.00 N ATOM 1008 CA SER A 124 -10.213 -8.921 8.129 1.00 0.00 C ATOM 1009 C SER A 124 -10.597 -7.589 7.471 1.00 0.00 C ATOM 1010 O SER A 124 -9.761 -6.752 7.197 1.00 0.00 O ATOM 1011 CB SER A 124 -10.358 -8.799 9.645 1.00 0.00 C ATOM 1012 OG SER A 124 -11.667 -8.346 9.961 1.00 0.00 O ATOM 0 H SER A 124 -8.170 -9.275 8.606 1.00 0.00 H new ATOM 0 HA SER A 124 -10.872 -9.701 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.171 -9.763 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.616 -8.103 10.037 1.00 0.00 H new ATOM 0 HG SER A 124 -11.761 -8.269 10.933 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.861 -7.395 7.218 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.327 -6.131 6.576 1.00 0.00 C ATOM 1020 C LYS A 125 -11.933 -4.934 7.448 1.00 0.00 C ATOM 1021 O LYS A 125 -11.621 -3.867 6.956 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.847 -6.184 6.435 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.334 -4.972 5.637 1.00 0.00 C ATOM 1024 CD LYS A 125 -15.850 -5.064 5.441 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.334 -3.860 4.630 1.00 0.00 C ATOM 1026 NZ LYS A 125 -15.718 -3.888 3.271 1.00 0.00 N ATOM 0 H LYS A 125 -12.600 -8.065 7.430 1.00 0.00 H new ATOM 0 HA LYS A 125 -11.866 -6.022 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.143 -7.105 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.313 -6.194 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.080 -4.051 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -13.833 -4.935 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.105 -5.990 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.352 -5.090 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -17.421 -3.878 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.068 -2.935 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -16.270 -3.285 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -14.742 -3.534 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -15.713 -4.864 2.912 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.953 -5.102 8.740 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.583 -3.977 9.647 1.00 0.00 C ATOM 1042 C ASN A 126 -10.129 -3.566 9.386 1.00 0.00 C ATOM 1043 O ASN A 126 -9.792 -2.398 9.372 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.724 -4.443 11.096 1.00 0.00 C ATOM 1045 CG ASN A 126 -13.202 -4.493 11.486 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -14.039 -3.902 10.831 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -13.562 -5.182 12.536 1.00 0.00 N ATOM 0 H ASN A 126 -12.210 -5.970 9.209 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.238 -3.125 9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.274 -5.429 11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.187 -3.765 11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.545 -5.224 12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.860 -5.678 13.086 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.264 -4.524 9.197 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.828 -4.206 8.949 1.00 0.00 C ATOM 1056 C TYR A 127 -7.657 -3.674 7.521 1.00 0.00 C ATOM 1057 O TYR A 127 -6.752 -2.916 7.231 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.006 -5.483 9.130 1.00 0.00 C ATOM 1059 CG TYR A 127 -5.541 -5.136 9.268 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -5.095 -4.468 10.414 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -4.633 -5.481 8.260 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -3.741 -4.143 10.553 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -3.277 -5.156 8.399 1.00 0.00 C ATOM 1064 CZ TYR A 127 -2.832 -4.486 9.545 1.00 0.00 C ATOM 1065 OH TYR A 127 -1.498 -4.166 9.682 1.00 0.00 O ATOM 0 H TYR A 127 -9.491 -5.519 9.204 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.487 -3.445 9.651 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.346 -6.022 10.014 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.153 -6.145 8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -5.796 -4.203 11.192 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.977 -5.997 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.397 -3.628 11.438 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.575 -5.422 7.622 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.313 -3.927 10.614 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.519 -4.074 6.628 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.419 -3.610 5.212 1.00 0.00 C ATOM 1077 C VAL A 128 -8.597 -2.090 5.152 1.00 0.00 C ATOM 1078 O VAL A 128 -7.891 -1.396 4.448 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.515 -4.286 4.383 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.576 -3.655 2.985 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.226 -5.790 4.252 1.00 0.00 C ATOM 0 H VAL A 128 -9.295 -4.708 6.818 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.440 -3.872 4.811 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.472 -4.146 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.358 -4.140 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -9.798 -2.592 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.616 -3.784 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.011 -6.261 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.265 -5.934 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.197 -6.243 5.243 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.552 -1.573 5.869 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.792 -0.103 5.841 1.00 0.00 C ATOM 1093 C ASP A 129 -8.489 0.638 6.154 1.00 0.00 C ATOM 1094 O ASP A 129 -8.134 1.597 5.498 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.840 0.245 6.895 1.00 0.00 C ATOM 1096 CG ASP A 129 -11.297 1.694 6.713 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -11.876 1.988 5.679 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.063 2.482 7.612 1.00 0.00 O ATOM 0 H ASP A 129 -10.178 -2.104 6.474 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.144 0.194 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.693 -0.428 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.425 0.108 7.893 1.00 0.00 H new ATOM 1103 N SER A 130 -7.776 0.203 7.154 1.00 0.00 N ATOM 1104 CA SER A 130 -6.497 0.880 7.510 1.00 0.00 C ATOM 1105 C SER A 130 -5.510 0.740 6.346 1.00 0.00 C ATOM 1106 O SER A 130 -4.826 1.674 5.975 1.00 0.00 O ATOM 1107 CB SER A 130 -5.916 0.220 8.754 1.00 0.00 C ATOM 1108 OG SER A 130 -4.729 0.900 9.135 1.00 0.00 O ATOM 0 H SER A 130 -8.023 -0.593 7.742 1.00 0.00 H new ATOM 0 HA SER A 130 -6.678 1.937 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.642 0.248 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.700 -0.830 8.555 1.00 0.00 H new ATOM 0 HG SER A 130 -4.952 1.626 9.755 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.439 -0.428 5.767 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.510 -0.649 4.623 1.00 0.00 C ATOM 1116 C ILE A 131 -4.934 0.254 3.464 1.00 0.00 C ATOM 1117 O ILE A 131 -4.116 0.852 2.792 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.577 -2.117 4.193 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -3.975 -3.000 5.291 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.789 -2.311 2.894 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.291 -4.471 4.998 1.00 0.00 C ATOM 0 H ILE A 131 -5.988 -1.243 6.039 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.488 -0.411 4.916 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.618 -2.397 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.896 -2.852 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.380 -2.717 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.839 -3.357 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.218 -1.686 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.748 -2.029 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.862 -5.098 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.371 -4.613 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.864 -4.750 4.035 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.209 0.349 3.224 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.701 1.205 2.110 1.00 0.00 C ATOM 1135 C VAL A 132 -6.250 2.654 2.349 1.00 0.00 C ATOM 1136 O VAL A 132 -5.799 3.330 1.446 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.233 1.137 2.073 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.781 2.194 1.107 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.679 -0.256 1.610 1.00 0.00 C ATOM 0 H VAL A 132 -6.936 -0.131 3.754 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.297 0.855 1.160 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.620 1.329 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.869 2.139 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.474 3.185 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.390 2.010 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.768 -0.300 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.285 -0.451 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.301 -1.008 2.303 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.380 3.138 3.554 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.966 4.545 3.844 1.00 0.00 C ATOM 1151 C ALA A 133 -4.470 4.727 3.558 1.00 0.00 C ATOM 1152 O ALA A 133 -4.065 5.640 2.866 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.231 4.844 5.317 1.00 0.00 C ATOM 0 H ALA A 133 -6.754 2.623 4.351 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.535 5.225 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.932 5.868 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.293 4.722 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.657 4.156 5.937 1.00 0.00 H new ATOM 1159 N SER A 134 -3.647 3.867 4.092 1.00 0.00 N ATOM 1160 CA SER A 134 -2.178 3.986 3.859 1.00 0.00 C ATOM 1161 C SER A 134 -1.869 3.796 2.372 1.00 0.00 C ATOM 1162 O SER A 134 -1.043 4.482 1.803 1.00 0.00 O ATOM 1163 CB SER A 134 -1.447 2.922 4.674 1.00 0.00 C ATOM 1164 OG SER A 134 -0.119 2.783 4.188 1.00 0.00 O ATOM 0 H SER A 134 -3.929 3.084 4.682 1.00 0.00 H new ATOM 0 HA SER A 134 -1.844 4.976 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.433 3.202 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.973 1.970 4.604 1.00 0.00 H new ATOM 0 HG SER A 134 0.357 3.633 4.290 1.00 0.00 H new ATOM 1170 N THR A 135 -2.510 2.852 1.745 1.00 0.00 N ATOM 1171 CA THR A 135 -2.250 2.597 0.299 1.00 0.00 C ATOM 1172 C THR A 135 -2.556 3.851 -0.531 1.00 0.00 C ATOM 1173 O THR A 135 -1.779 4.262 -1.372 1.00 0.00 O ATOM 1174 CB THR A 135 -3.142 1.446 -0.166 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.804 0.261 0.543 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.961 1.219 -1.665 1.00 0.00 C ATOM 0 H THR A 135 -3.207 2.242 2.172 1.00 0.00 H new ATOM 0 HA THR A 135 -1.200 2.339 0.162 1.00 0.00 H new ATOM 0 HB THR A 135 -4.183 1.700 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.377 0.178 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.600 0.397 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 135 -3.234 2.125 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.920 0.972 -1.873 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.683 4.465 -0.297 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.038 5.695 -1.065 1.00 0.00 C ATOM 1186 C ASN A 136 -3.041 6.817 -0.751 1.00 0.00 C ATOM 1187 O ASN A 136 -2.683 7.601 -1.609 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.453 6.140 -0.699 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.472 5.164 -1.293 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.184 4.473 -2.251 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.663 5.075 -0.760 1.00 0.00 N ATOM 0 H ASN A 136 -4.374 4.169 0.392 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.996 5.474 -2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.563 6.180 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.637 7.146 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.348 4.427 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.907 5.654 0.044 1.00 0.00 H new ATOM 1198 N MET A 137 -2.601 6.906 0.472 1.00 0.00 N ATOM 1199 CA MET A 137 -1.636 7.980 0.848 1.00 0.00 C ATOM 1200 C MET A 137 -0.332 7.795 0.064 1.00 0.00 C ATOM 1201 O MET A 137 0.290 8.748 -0.361 1.00 0.00 O ATOM 1202 CB MET A 137 -1.353 7.898 2.348 1.00 0.00 C ATOM 1203 CG MET A 137 -2.547 8.457 3.132 1.00 0.00 C ATOM 1204 SD MET A 137 -2.682 10.247 2.879 1.00 0.00 S ATOM 1205 CE MET A 137 -1.458 10.761 4.113 1.00 0.00 C ATOM 0 H MET A 137 -2.868 6.280 1.232 1.00 0.00 H new ATOM 0 HA MET A 137 -2.060 8.955 0.610 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.169 6.863 2.637 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.452 8.462 2.589 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.465 7.967 2.808 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.427 8.241 4.194 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.937 11.395 4.859 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.041 9.880 4.600 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.659 11.317 3.623 1.00 0.00 H new ATOM 1215 N ILE A 138 0.097 6.578 -0.123 1.00 0.00 N ATOM 1216 CA ILE A 138 1.362 6.346 -0.873 1.00 0.00 C ATOM 1217 C ILE A 138 1.197 6.856 -2.313 1.00 0.00 C ATOM 1218 O ILE A 138 2.058 7.525 -2.853 1.00 0.00 O ATOM 1219 CB ILE A 138 1.655 4.843 -0.886 1.00 0.00 C ATOM 1220 CG1 ILE A 138 1.980 4.372 0.536 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.850 4.549 -1.797 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.008 2.841 0.580 1.00 0.00 C ATOM 0 H ILE A 138 -0.373 5.736 0.210 1.00 0.00 H new ATOM 0 HA ILE A 138 2.186 6.877 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 138 0.778 4.315 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.944 4.772 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.234 4.752 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.051 3.478 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.624 4.878 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.727 5.081 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.239 2.510 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.034 2.451 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.770 2.471 -0.106 1.00 0.00 H new ATOM 1234 N PHE A 139 0.093 6.543 -2.935 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.146 7.003 -4.336 1.00 0.00 C ATOM 1236 C PHE A 139 -0.381 8.513 -4.343 1.00 0.00 C ATOM 1237 O PHE A 139 0.118 9.232 -5.187 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.377 6.269 -4.873 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.246 4.759 -4.665 1.00 0.00 C ATOM 1240 CD1 PHE A 139 0.008 4.139 -4.448 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -2.403 3.964 -4.689 1.00 0.00 C ATOM 1242 CE1 PHE A 139 0.086 2.757 -4.257 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -2.313 2.578 -4.497 1.00 0.00 C ATOM 1244 CZ PHE A 139 -1.070 1.978 -4.281 1.00 0.00 C ATOM 0 H PHE A 139 -0.659 5.985 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 139 0.717 6.786 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.272 6.633 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.500 6.485 -5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 139 0.908 4.736 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.367 4.422 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 139 1.046 2.290 -4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -3.207 1.973 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.005 0.910 -4.133 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.134 8.996 -3.407 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.400 10.455 -3.347 1.00 0.00 C ATOM 1256 C LYS A 140 -0.098 11.201 -3.047 1.00 0.00 C ATOM 1257 O LYS A 140 0.185 12.239 -3.614 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.414 10.716 -2.237 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.785 10.132 -2.613 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.545 11.098 -3.530 1.00 0.00 C ATOM 1261 CE LYS A 140 -5.914 10.513 -3.863 1.00 0.00 C ATOM 1262 NZ LYS A 140 -6.647 11.462 -4.747 1.00 0.00 N ATOM 0 H LYS A 140 -1.581 8.443 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.795 10.805 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -2.065 10.270 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.504 11.788 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.654 9.173 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -4.367 9.944 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.660 12.065 -3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.978 11.269 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -5.801 9.549 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.480 10.337 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -7.582 11.069 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.765 12.372 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.106 11.608 -5.623 1.00 0.00 H new ATOM 1276 N TYR A 141 0.696 10.685 -2.153 1.00 0.00 N ATOM 1277 CA TYR A 141 1.976 11.364 -1.814 1.00 0.00 C ATOM 1278 C TYR A 141 2.846 11.455 -3.068 1.00 0.00 C ATOM 1279 O TYR A 141 3.400 12.489 -3.384 1.00 0.00 O ATOM 1280 CB TYR A 141 2.706 10.554 -0.746 1.00 0.00 C ATOM 1281 CG TYR A 141 4.045 11.188 -0.464 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.151 12.212 0.484 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.181 10.754 -1.156 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.394 12.802 0.738 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.425 11.343 -0.901 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.531 12.367 0.047 1.00 0.00 C ATOM 1287 OH TYR A 141 7.756 12.952 0.297 1.00 0.00 O ATOM 0 H TYR A 141 0.514 9.821 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 141 1.774 12.367 -1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.111 10.515 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.842 9.526 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.274 12.546 1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.098 9.964 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.476 13.594 1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.302 11.008 -1.435 1.00 0.00 H new ATOM 0 HH TYR A 141 8.440 12.533 -0.266 1.00 0.00 H new ATOM 1297 N ALA A 142 2.971 10.372 -3.785 1.00 0.00 N ATOM 1298 CA ALA A 142 3.802 10.385 -5.020 1.00 0.00 C ATOM 1299 C ALA A 142 3.170 11.334 -6.042 1.00 0.00 C ATOM 1300 O ALA A 142 3.852 12.059 -6.740 1.00 0.00 O ATOM 1301 CB ALA A 142 3.858 8.973 -5.596 1.00 0.00 C ATOM 0 H ALA A 142 2.532 9.477 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 142 4.811 10.724 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.465 8.973 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.300 8.298 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.849 8.638 -5.836 1.00 0.00 H new ATOM 1307 N TYR A 143 1.868 11.335 -6.129 1.00 0.00 N ATOM 1308 CA TYR A 143 1.181 12.239 -7.094 1.00 0.00 C ATOM 1309 C TYR A 143 1.489 13.691 -6.726 1.00 0.00 C ATOM 1310 O TYR A 143 1.771 14.516 -7.572 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.327 12.000 -7.026 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.038 12.990 -7.917 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.085 12.780 -9.300 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.649 14.120 -7.359 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.743 13.701 -10.125 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.308 15.040 -8.184 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.355 14.831 -9.567 1.00 0.00 C ATOM 1318 OH TYR A 143 -3.002 15.738 -10.380 1.00 0.00 O ATOM 0 H TYR A 143 1.249 10.747 -5.571 1.00 0.00 H new ATOM 0 HA TYR A 143 1.533 12.037 -8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.558 10.982 -7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.676 12.104 -5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.614 11.909 -9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.612 14.282 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.779 13.540 -11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.780 15.911 -7.753 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.906 15.415 -10.576 1.00 0.00 H new ATOM 1328 N ASP A 144 1.435 14.005 -5.462 1.00 0.00 N ATOM 1329 CA ASP A 144 1.724 15.398 -5.021 1.00 0.00 C ATOM 1330 C ASP A 144 3.154 15.766 -5.420 1.00 0.00 C ATOM 1331 O ASP A 144 3.430 16.870 -5.848 1.00 0.00 O ATOM 1332 CB ASP A 144 1.592 15.474 -3.501 1.00 0.00 C ATOM 1333 CG ASP A 144 1.620 16.936 -3.048 1.00 0.00 C ATOM 1334 OD1 ASP A 144 0.752 17.682 -3.465 1.00 0.00 O ATOM 1335 OD2 ASP A 144 2.512 17.280 -2.291 1.00 0.00 O ATOM 0 H ASP A 144 1.202 13.354 -4.712 1.00 0.00 H new ATOM 0 HA ASP A 144 1.023 16.089 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.661 15.004 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.405 14.922 -3.029 1.00 0.00 H new ATOM 1340 N THR A 145 4.065 14.848 -5.274 1.00 0.00 N ATOM 1341 CA THR A 145 5.480 15.133 -5.632 1.00 0.00 C ATOM 1342 C THR A 145 5.614 15.225 -7.155 1.00 0.00 C ATOM 1343 O THR A 145 6.703 15.205 -7.693 1.00 0.00 O ATOM 1344 CB THR A 145 6.361 13.999 -5.094 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.224 13.938 -3.681 1.00 0.00 O ATOM 1346 CG2 THR A 145 7.838 14.238 -5.452 1.00 0.00 C ATOM 0 H THR A 145 3.890 13.908 -4.920 1.00 0.00 H new ATOM 0 HA THR A 145 5.795 16.080 -5.194 1.00 0.00 H new ATOM 0 HB THR A 145 6.042 13.060 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.368 13.520 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.444 13.421 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 145 7.947 14.283 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.171 15.179 -5.014 1.00 0.00 H new ATOM 1354 N ARG A 146 4.511 15.322 -7.852 1.00 0.00 N ATOM 1355 CA ARG A 146 4.564 15.411 -9.342 1.00 0.00 C ATOM 1356 C ARG A 146 5.371 14.231 -9.894 1.00 0.00 C ATOM 1357 O ARG A 146 5.846 14.255 -11.012 1.00 0.00 O ATOM 1358 CB ARG A 146 5.212 16.740 -9.757 1.00 0.00 C ATOM 1359 CG ARG A 146 4.307 17.899 -9.327 1.00 0.00 C ATOM 1360 CD ARG A 146 4.972 19.240 -9.654 1.00 0.00 C ATOM 1361 NE ARG A 146 5.108 19.377 -11.130 1.00 0.00 N ATOM 1362 CZ ARG A 146 5.725 20.407 -11.652 1.00 0.00 C ATOM 1363 NH1 ARG A 146 6.224 21.333 -10.880 1.00 0.00 N ATOM 1364 NH2 ARG A 146 5.839 20.508 -12.947 1.00 0.00 N ATOM 0 H ARG A 146 3.573 15.343 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 146 3.553 15.371 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.194 16.839 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.364 16.763 -10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.346 17.828 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.106 17.836 -8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.376 20.061 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.952 19.298 -9.180 1.00 0.00 H new ATOM 0 HE ARG A 146 4.716 18.661 -11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 146 6.134 21.256 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 146 6.704 22.134 -11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 146 5.448 19.785 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 146 6.319 21.310 -13.356 1.00 0.00 H new ATOM 1378 N LEU A 147 5.520 13.197 -9.112 1.00 0.00 N ATOM 1379 CA LEU A 147 6.284 12.006 -9.580 1.00 0.00 C ATOM 1380 C LEU A 147 5.550 11.380 -10.772 1.00 0.00 C ATOM 1381 O LEU A 147 6.148 11.005 -11.762 1.00 0.00 O ATOM 1382 CB LEU A 147 6.371 10.990 -8.427 1.00 0.00 C ATOM 1383 CG LEU A 147 7.631 10.126 -8.570 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.690 9.119 -7.416 1.00 0.00 C ATOM 1385 CD2 LEU A 147 7.620 9.385 -9.914 1.00 0.00 C ATOM 0 H LEU A 147 5.144 13.126 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 147 7.289 12.295 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 147 6.389 11.515 -7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 147 5.485 10.355 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 147 8.511 10.769 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.584 8.504 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.721 9.654 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.806 8.482 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 147 8.520 8.776 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 147 6.741 8.743 -9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 147 7.591 10.109 -10.728 1.00 0.00 H new ATOM 1397 N ILE A 148 4.248 11.270 -10.673 1.00 0.00 N ATOM 1398 CA ILE A 148 3.436 10.672 -11.775 1.00 0.00 C ATOM 1399 C ILE A 148 2.333 11.645 -12.178 1.00 0.00 C ATOM 1400 O ILE A 148 1.874 12.448 -11.387 1.00 0.00 O ATOM 1401 CB ILE A 148 2.821 9.347 -11.294 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.951 9.589 -10.050 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.937 8.354 -10.951 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.230 8.293 -9.672 1.00 0.00 C ATOM 0 H ILE A 148 3.707 11.574 -9.863 1.00 0.00 H new ATOM 0 HA ILE A 148 4.072 10.478 -12.638 1.00 0.00 H new ATOM 0 HB ILE A 148 2.200 8.937 -12.090 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.571 9.928 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.225 10.377 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.498 7.416 -10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.545 8.169 -11.837 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.563 8.769 -10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.613 8.464 -8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.598 7.973 -10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.965 7.518 -9.456 1.00 0.00 H new ATOM 1416 N LYS A 149 1.903 11.581 -13.406 1.00 0.00 N ATOM 1417 CA LYS A 149 0.826 12.493 -13.876 1.00 0.00 C ATOM 1418 C LYS A 149 -0.518 11.769 -13.794 1.00 0.00 C ATOM 1419 O LYS A 149 -1.563 12.354 -14.006 1.00 0.00 O ATOM 1420 CB LYS A 149 1.109 12.881 -15.325 1.00 0.00 C ATOM 1421 CG LYS A 149 2.338 13.796 -15.378 1.00 0.00 C ATOM 1422 CD LYS A 149 2.706 14.095 -16.838 1.00 0.00 C ATOM 1423 CE LYS A 149 1.728 15.116 -17.434 1.00 0.00 C ATOM 1424 NZ LYS A 149 2.251 15.600 -18.743 1.00 0.00 N ATOM 0 H LYS A 149 2.254 10.931 -14.109 1.00 0.00 H new ATOM 0 HA LYS A 149 0.793 13.387 -13.253 1.00 0.00 H new ATOM 0 HB2 LYS A 149 1.281 11.987 -15.925 1.00 0.00 H new ATOM 0 HB3 LYS A 149 0.245 13.390 -15.752 1.00 0.00 H new ATOM 0 HG2 LYS A 149 2.132 14.726 -14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 149 3.178 13.320 -14.872 1.00 0.00 H new ATOM 0 HD2 LYS A 149 3.724 14.481 -16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 149 2.683 13.175 -17.422 1.00 0.00 H new ATOM 0 HE2 LYS A 149 0.747 14.660 -17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 149 1.599 15.954 -16.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 1.588 16.292 -19.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 3.178 16.050 -18.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 2.352 14.796 -19.395 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.498 10.497 -13.493 1.00 0.00 N ATOM 1439 CA ALA A 150 -1.771 9.722 -13.404 1.00 0.00 C ATOM 1440 C ALA A 150 -2.217 9.616 -11.945 1.00 0.00 C ATOM 1441 O ALA A 150 -1.425 9.747 -11.032 1.00 0.00 O ATOM 1442 CB ALA A 150 -1.547 8.319 -13.965 1.00 0.00 C ATOM 0 H ALA A 150 0.348 9.960 -13.304 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.543 10.233 -13.979 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.474 7.750 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -1.235 8.389 -15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -0.772 7.816 -13.387 1.00 0.00 H new ATOM 1448 N MET A 151 -3.481 9.376 -11.719 1.00 0.00 N ATOM 1449 CA MET A 151 -3.978 9.255 -10.322 1.00 0.00 C ATOM 1450 C MET A 151 -5.393 8.664 -10.326 1.00 0.00 C ATOM 1451 O MET A 151 -6.325 9.280 -9.852 1.00 0.00 O ATOM 1452 CB MET A 151 -4.005 10.641 -9.662 1.00 0.00 C ATOM 1453 CG MET A 151 -4.666 11.651 -10.604 1.00 0.00 C ATOM 1454 SD MET A 151 -4.844 13.242 -9.753 1.00 0.00 S ATOM 1455 CE MET A 151 -6.524 12.990 -9.127 1.00 0.00 C ATOM 0 H MET A 151 -4.190 9.259 -12.443 1.00 0.00 H new ATOM 0 HA MET A 151 -3.313 8.598 -9.761 1.00 0.00 H new ATOM 0 HB2 MET A 151 -4.553 10.595 -8.721 1.00 0.00 H new ATOM 0 HB3 MET A 151 -2.990 10.961 -9.425 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.064 11.773 -11.504 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.642 11.284 -10.921 1.00 0.00 H new ATOM 0 HE1 MET A 151 -6.837 13.868 -8.562 1.00 0.00 H new ATOM 0 HE2 MET A 151 -7.205 12.836 -9.964 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.543 12.115 -8.478 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.551 7.473 -10.850 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.878 6.792 -10.900 1.00 0.00 C ATOM 1467 C PRO A 152 -7.334 6.361 -9.501 1.00 0.00 C ATOM 1468 O PRO A 152 -8.483 6.028 -9.282 1.00 0.00 O ATOM 1469 CB PRO A 152 -6.638 5.567 -11.801 1.00 0.00 C ATOM 1470 CG PRO A 152 -5.168 5.294 -11.706 1.00 0.00 C ATOM 1471 CD PRO A 152 -4.488 6.646 -11.450 1.00 0.00 C ATOM 0 HA PRO A 152 -7.664 7.445 -11.279 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -7.221 4.710 -11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -6.936 5.770 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -4.955 4.594 -10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -4.797 4.842 -12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.636 6.543 -10.778 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -4.114 7.086 -12.375 1.00 0.00 H new