USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 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 91 HIS : no HE2:sc= 0.226 K(o=0.49,f=-2) USER MOD Set 1.2: A 93 HIS : no HE2:sc= 0.264 K(o=0.49,f=-0.076) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= -0.387 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.78 (180deg=1.67) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 4 ASN : amide:sc=-0.00635 X(o=-0.0063,f=-0.0063) USER MOD Single : A 6 GLN : amide:sc= -3.19! K(o=-3.2!,f=-1.9) USER MOD Single : A 8 CYS SG : rot -109:sc= -0.638 USER MOD Single : A 9 SER OG : rot 180:sc= -0.23 USER MOD Single : A 13 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.65) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.704) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 79:sc= 0.211 USER MOD Single : A 25 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.0035) USER MOD Single : A 27 ASN : amide:sc= -0.0016 K(o=-0.0016,f=0.71) USER MOD Single : A 32 CYS SG : rot 180:sc= -2.24 USER MOD Single : A 41 SER OG : rot 87:sc= 1.26 USER MOD Single : A 43 GLN : amide:sc= -0.903 K(o=-0.9,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.023 USER MOD Single : A 55 THR OG1 : rot -170:sc= -1.22 USER MOD Single : A 58 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.9) USER MOD Single : A 59 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 62 SER OG : rot 180:sc= -0.403 USER MOD Single : A 65 ASN : amide:sc= 1.13 K(o=1.1,f=-0.075) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc=-0.00794 X(o=-0.0079,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 82 GLN : amide:sc= -1.04 K(o=-1,f=-0.015) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.84! K(o=-1.8!,f=-0.98) USER MOD Single : A 92 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.13) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.00068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.462 15.901 -1.301 1.00 0.00 N ATOM 2 CA MET A 1 79.178 15.697 -0.627 1.00 0.00 C ATOM 3 C MET A 1 78.126 16.718 -1.046 1.00 0.00 C ATOM 4 O MET A 1 77.006 16.695 -0.543 1.00 0.00 O ATOM 5 CB MET A 1 79.339 15.686 0.903 1.00 0.00 C ATOM 6 CG MET A 1 79.873 16.976 1.504 1.00 0.00 C ATOM 7 SD MET A 1 80.059 16.860 3.293 1.00 0.00 S ATOM 8 CE MET A 1 80.719 18.478 3.671 1.00 0.00 C ATOM 0 H1 MET A 1 81.192 15.321 -0.840 1.00 0.00 H new ATOM 0 H2 MET A 1 80.378 15.623 -2.300 1.00 0.00 H new ATOM 0 H3 MET A 1 80.729 16.904 -1.243 1.00 0.00 H new ATOM 0 HA MET A 1 78.822 14.717 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 1 78.371 15.467 1.353 1.00 0.00 H new ATOM 0 HB3 MET A 1 80.009 14.871 1.177 1.00 0.00 H new ATOM 0 HG2 MET A 1 80.837 17.214 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 1 79.197 17.796 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 80.888 18.560 4.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 81.662 18.619 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 1 80.010 19.243 3.356 1.00 0.00 H new ATOM 20 N HIS A 2 78.463 17.614 -1.952 1.00 0.00 N ATOM 21 CA HIS A 2 77.490 18.594 -2.403 1.00 0.00 C ATOM 22 C HIS A 2 77.345 18.568 -3.904 1.00 0.00 C ATOM 23 O HIS A 2 76.332 18.114 -4.424 1.00 0.00 O ATOM 24 CB HIS A 2 77.825 20.016 -1.916 1.00 0.00 C ATOM 25 CG HIS A 2 77.685 20.220 -0.435 1.00 0.00 C ATOM 26 ND1 HIS A 2 78.709 20.621 0.399 1.00 0.00 N ATOM 27 CD2 HIS A 2 76.591 20.104 0.351 1.00 0.00 C ATOM 28 CE1 HIS A 2 78.217 20.734 1.636 1.00 0.00 C ATOM 29 NE2 HIS A 2 76.930 20.432 1.664 1.00 0.00 N ATOM 0 H HIS A 2 79.384 17.686 -2.385 1.00 0.00 H new ATOM 0 HA HIS A 2 76.535 18.314 -1.958 1.00 0.00 H new ATOM 0 HB2 HIS A 2 78.848 20.254 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 2 77.175 20.724 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 2 75.609 19.805 0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 2 78.794 21.032 2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 2 76.313 20.438 2.476 1.00 0.00 H new ATOM 37 N THR A 3 78.366 19.029 -4.595 1.00 0.00 N ATOM 38 CA THR A 3 78.364 19.092 -6.044 1.00 0.00 C ATOM 39 C THR A 3 78.395 17.676 -6.635 1.00 0.00 C ATOM 40 O THR A 3 77.803 17.399 -7.682 1.00 0.00 O ATOM 41 CB THR A 3 79.607 19.868 -6.500 1.00 0.00 C ATOM 42 OG1 THR A 3 79.743 21.035 -5.666 1.00 0.00 O ATOM 43 CG2 THR A 3 79.472 20.312 -7.954 1.00 0.00 C ATOM 0 H THR A 3 79.226 19.373 -4.167 1.00 0.00 H new ATOM 0 HA THR A 3 77.459 19.593 -6.389 1.00 0.00 H new ATOM 0 HB THR A 3 80.480 19.221 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 3 80.534 21.544 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 3 80.366 20.860 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 3 79.353 19.436 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 3 78.600 20.958 -8.058 1.00 0.00 H new ATOM 51 N ASN A 4 79.069 16.795 -5.942 1.00 0.00 N ATOM 52 CA ASN A 4 79.217 15.428 -6.355 1.00 0.00 C ATOM 53 C ASN A 4 79.302 14.569 -5.109 1.00 0.00 C ATOM 54 O ASN A 4 79.745 15.050 -4.059 1.00 0.00 O ATOM 55 CB ASN A 4 80.494 15.283 -7.211 1.00 0.00 C ATOM 56 CG ASN A 4 80.752 13.867 -7.701 1.00 0.00 C ATOM 57 OD1 ASN A 4 81.415 13.078 -7.037 1.00 0.00 O ATOM 58 ND2 ASN A 4 80.254 13.539 -8.852 1.00 0.00 N ATOM 0 H ASN A 4 79.537 17.013 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 4 78.368 15.110 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 4 80.419 15.947 -8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 4 81.351 15.616 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 4 80.410 12.603 -9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 4 79.706 14.216 -9.382 1.00 0.00 H new ATOM 65 N TRP A 5 78.786 13.360 -5.203 1.00 0.00 N ATOM 66 CA TRP A 5 78.818 12.342 -4.155 1.00 0.00 C ATOM 67 C TRP A 5 78.068 11.143 -4.636 1.00 0.00 C ATOM 68 O TRP A 5 77.385 11.217 -5.665 1.00 0.00 O ATOM 69 CB TRP A 5 78.288 12.825 -2.765 1.00 0.00 C ATOM 70 CG TRP A 5 76.893 13.422 -2.721 1.00 0.00 C ATOM 71 CD1 TRP A 5 76.179 13.953 -3.757 1.00 0.00 C ATOM 72 CD2 TRP A 5 76.079 13.606 -1.552 1.00 0.00 C ATOM 73 NE1 TRP A 5 74.982 14.421 -3.323 1.00 0.00 N ATOM 74 CE2 TRP A 5 74.890 14.230 -1.972 1.00 0.00 C ATOM 75 CE3 TRP A 5 76.230 13.295 -0.192 1.00 0.00 C ATOM 76 CZ2 TRP A 5 73.871 14.556 -1.094 1.00 0.00 C ATOM 77 CZ3 TRP A 5 75.213 13.626 0.677 1.00 0.00 C ATOM 78 CH2 TRP A 5 74.049 14.249 0.220 1.00 0.00 C ATOM 0 H TRP A 5 78.310 13.039 -6.047 1.00 0.00 H new ATOM 0 HA TRP A 5 79.864 12.096 -3.973 1.00 0.00 H new ATOM 0 HB2 TRP A 5 78.314 11.977 -2.081 1.00 0.00 H new ATOM 0 HB3 TRP A 5 78.985 13.568 -2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 5 76.520 13.995 -4.781 1.00 0.00 H new ATOM 0 HE1 TRP A 5 74.265 14.847 -3.910 1.00 0.00 H new ATOM 0 HE3 TRP A 5 77.124 12.807 0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 72.967 15.037 -1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 75.317 13.400 1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 5 73.270 14.493 0.928 1.00 0.00 H new ATOM 89 N GLN A 6 78.163 10.074 -3.923 1.00 0.00 N ATOM 90 CA GLN A 6 77.546 8.859 -4.336 1.00 0.00 C ATOM 91 C GLN A 6 76.116 8.851 -3.874 1.00 0.00 C ATOM 92 O GLN A 6 75.840 8.953 -2.679 1.00 0.00 O ATOM 93 CB GLN A 6 78.296 7.687 -3.746 1.00 0.00 C ATOM 94 CG GLN A 6 79.762 7.634 -4.149 1.00 0.00 C ATOM 95 CD GLN A 6 80.549 6.610 -3.364 1.00 0.00 C ATOM 96 OE1 GLN A 6 81.506 6.026 -3.863 1.00 0.00 O ATOM 97 NE2 GLN A 6 80.178 6.413 -2.123 1.00 0.00 N ATOM 0 H GLN A 6 78.669 10.016 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 6 77.570 8.779 -5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 6 78.229 7.734 -2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 6 77.809 6.762 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 6 79.834 7.404 -5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 6 80.209 8.618 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 6 79.377 6.918 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 6 80.690 5.755 -1.536 1.00 0.00 H new ATOM 106 N VAL A 7 75.232 8.765 -4.813 1.00 0.00 N ATOM 107 CA VAL A 7 73.823 8.688 -4.565 1.00 0.00 C ATOM 108 C VAL A 7 73.270 7.511 -5.335 1.00 0.00 C ATOM 109 O VAL A 7 73.138 7.547 -6.558 1.00 0.00 O ATOM 110 CB VAL A 7 73.061 10.021 -4.912 1.00 0.00 C ATOM 111 CG1 VAL A 7 73.317 11.077 -3.849 1.00 0.00 C ATOM 112 CG2 VAL A 7 73.492 10.570 -6.271 1.00 0.00 C ATOM 0 H VAL A 7 75.473 8.746 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 7 73.665 8.544 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 7 71.997 9.785 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 7 72.782 11.991 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 7 72.968 10.713 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 7 74.385 11.286 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 7 72.947 11.491 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 7 74.562 10.777 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 7 73.274 9.835 -7.046 1.00 0.00 H new ATOM 122 N CYS A 8 73.028 6.453 -4.640 1.00 0.00 N ATOM 123 CA CYS A 8 72.583 5.248 -5.267 1.00 0.00 C ATOM 124 C CYS A 8 71.160 4.934 -4.894 1.00 0.00 C ATOM 125 O CYS A 8 70.781 5.008 -3.720 1.00 0.00 O ATOM 126 CB CYS A 8 73.497 4.079 -4.888 1.00 0.00 C ATOM 127 SG CYS A 8 75.223 4.283 -5.390 1.00 0.00 S ATOM 0 H CYS A 8 73.131 6.394 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 8 72.627 5.397 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 8 73.460 3.941 -3.807 1.00 0.00 H new ATOM 0 HB3 CYS A 8 73.106 3.167 -5.339 1.00 0.00 H new ATOM 0 HG CYS A 8 75.492 3.463 -6.363 1.00 0.00 H new ATOM 133 N SER A 9 70.374 4.613 -5.885 1.00 0.00 N ATOM 134 CA SER A 9 69.035 4.182 -5.669 1.00 0.00 C ATOM 135 C SER A 9 69.062 2.692 -5.355 1.00 0.00 C ATOM 136 O SER A 9 69.902 1.935 -5.894 1.00 0.00 O ATOM 137 CB SER A 9 68.175 4.483 -6.916 1.00 0.00 C ATOM 138 OG SER A 9 66.836 4.059 -6.761 1.00 0.00 O ATOM 0 H SER A 9 70.653 4.646 -6.866 1.00 0.00 H new ATOM 0 HA SER A 9 68.588 4.717 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 9 68.193 5.554 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 9 68.612 3.988 -7.784 1.00 0.00 H new ATOM 0 HG SER A 9 66.330 4.271 -7.573 1.00 0.00 H new ATOM 144 N LEU A 10 68.231 2.294 -4.455 1.00 0.00 N ATOM 145 CA LEU A 10 68.103 0.937 -4.040 1.00 0.00 C ATOM 146 C LEU A 10 66.683 0.509 -4.206 1.00 0.00 C ATOM 147 O LEU A 10 65.769 1.225 -3.792 1.00 0.00 O ATOM 148 CB LEU A 10 68.463 0.798 -2.561 1.00 0.00 C ATOM 149 CG LEU A 10 69.895 1.112 -2.150 1.00 0.00 C ATOM 150 CD1 LEU A 10 70.063 0.895 -0.661 1.00 0.00 C ATOM 151 CD2 LEU A 10 70.881 0.253 -2.913 1.00 0.00 C ATOM 0 H LEU A 10 67.597 2.928 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 10 68.772 0.323 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 10 67.800 1.449 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 10 68.243 -0.225 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 10 70.098 2.156 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 10 71.090 1.121 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 10 69.382 1.550 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 10 69.839 -0.143 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 10 71.896 0.498 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 10 70.682 -0.799 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 10 70.776 0.440 -3.982 1.00 0.00 H new ATOM 163 N VAL A 11 66.482 -0.621 -4.811 1.00 0.00 N ATOM 164 CA VAL A 11 65.171 -1.183 -4.886 1.00 0.00 C ATOM 165 C VAL A 11 65.079 -2.176 -3.762 1.00 0.00 C ATOM 166 O VAL A 11 65.669 -3.269 -3.820 1.00 0.00 O ATOM 167 CB VAL A 11 64.868 -1.886 -6.239 1.00 0.00 C ATOM 168 CG1 VAL A 11 63.447 -2.445 -6.247 1.00 0.00 C ATOM 169 CG2 VAL A 11 65.050 -0.926 -7.399 1.00 0.00 C ATOM 0 H VAL A 11 67.212 -1.173 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 11 64.435 -0.383 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 11 65.573 -2.709 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.253 -2.933 -7.202 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.336 -3.169 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.735 -1.632 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 11 64.832 -1.441 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.370 -0.082 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 11 66.078 -0.565 -7.414 1.00 0.00 H new ATOM 179 N VAL A 12 64.431 -1.778 -2.724 1.00 0.00 N ATOM 180 CA VAL A 12 64.272 -2.600 -1.585 1.00 0.00 C ATOM 181 C VAL A 12 63.016 -3.410 -1.751 1.00 0.00 C ATOM 182 O VAL A 12 61.903 -2.875 -1.712 1.00 0.00 O ATOM 183 CB VAL A 12 64.222 -1.771 -0.278 1.00 0.00 C ATOM 184 CG1 VAL A 12 64.070 -2.676 0.933 1.00 0.00 C ATOM 185 CG2 VAL A 12 65.474 -0.911 -0.142 1.00 0.00 C ATOM 0 H VAL A 12 63.992 -0.860 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 12 65.135 -3.261 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 12 63.352 -1.116 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 12 64.037 -2.070 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 63.146 -3.248 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 12 64.917 -3.360 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 12 65.421 -0.335 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 12 66.355 -1.552 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 12 65.541 -0.230 -0.990 1.00 0.00 H new ATOM 195 N GLN A 13 63.209 -4.662 -2.015 1.00 0.00 N ATOM 196 CA GLN A 13 62.147 -5.600 -2.168 1.00 0.00 C ATOM 197 C GLN A 13 61.900 -6.120 -0.756 1.00 0.00 C ATOM 198 O GLN A 13 62.809 -6.694 -0.126 1.00 0.00 O ATOM 199 CB GLN A 13 62.633 -6.703 -3.125 1.00 0.00 C ATOM 200 CG GLN A 13 61.554 -7.515 -3.828 1.00 0.00 C ATOM 201 CD GLN A 13 60.760 -8.397 -2.918 1.00 0.00 C ATOM 202 OE1 GLN A 13 59.726 -8.003 -2.388 1.00 0.00 O ATOM 203 NE2 GLN A 13 61.235 -9.594 -2.726 1.00 0.00 N ATOM 0 H GLN A 13 64.136 -5.070 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 13 61.228 -5.192 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 13 63.263 -6.242 -3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 13 63.264 -7.390 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 13 60.875 -6.832 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 13 62.021 -8.131 -4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 13 62.099 -9.880 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 13 60.743 -10.246 -2.114 1.00 0.00 H new ATOM 212 N ALA A 14 60.738 -5.877 -0.244 1.00 0.00 N ATOM 213 CA ALA A 14 60.459 -6.124 1.139 1.00 0.00 C ATOM 214 C ALA A 14 59.066 -6.695 1.337 1.00 0.00 C ATOM 215 O ALA A 14 58.319 -6.863 0.371 1.00 0.00 O ATOM 216 CB ALA A 14 60.625 -4.834 1.913 1.00 0.00 C ATOM 0 H ALA A 14 59.951 -5.500 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 14 61.163 -6.869 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.414 -5.013 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.648 -4.473 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 14 59.933 -4.086 1.526 1.00 0.00 H new ATOM 222 N LYS A 15 58.749 -7.079 2.588 1.00 0.00 N ATOM 223 CA LYS A 15 57.408 -7.569 2.927 1.00 0.00 C ATOM 224 C LYS A 15 56.376 -6.489 2.584 1.00 0.00 C ATOM 225 O LYS A 15 56.331 -5.440 3.234 1.00 0.00 O ATOM 226 CB LYS A 15 57.265 -7.940 4.439 1.00 0.00 C ATOM 227 CG LYS A 15 57.925 -9.252 4.926 1.00 0.00 C ATOM 228 CD LYS A 15 59.446 -9.189 5.015 1.00 0.00 C ATOM 229 CE LYS A 15 60.010 -10.443 5.682 1.00 0.00 C ATOM 230 NZ LYS A 15 61.491 -10.391 5.883 1.00 0.00 N ATOM 0 H LYS A 15 59.401 -7.058 3.372 1.00 0.00 H new ATOM 0 HA LYS A 15 57.239 -8.476 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 15 57.678 -7.120 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 15 56.201 -7.994 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 15 57.525 -9.505 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 15 57.645 -10.060 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 15 59.868 -9.084 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 15 59.744 -8.307 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 15 59.524 -10.582 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 15 59.763 -11.312 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 61.860 -11.357 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 61.938 -9.944 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 61.706 -9.836 6.736 1.00 0.00 H new ATOM 244 N SER A 16 55.547 -6.772 1.597 1.00 0.00 N ATOM 245 CA SER A 16 54.569 -5.836 1.064 1.00 0.00 C ATOM 246 C SER A 16 53.568 -5.359 2.134 1.00 0.00 C ATOM 247 O SER A 16 53.128 -4.202 2.131 1.00 0.00 O ATOM 248 CB SER A 16 53.848 -6.506 -0.097 1.00 0.00 C ATOM 249 OG SER A 16 54.793 -7.061 -0.997 1.00 0.00 O ATOM 0 H SER A 16 55.533 -7.679 1.131 1.00 0.00 H new ATOM 0 HA SER A 16 55.090 -4.942 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 16 53.186 -7.288 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 16 53.222 -5.780 -0.616 1.00 0.00 H new ATOM 0 HG SER A 16 54.322 -7.492 -1.741 1.00 0.00 H new ATOM 255 N GLU A 17 53.254 -6.236 3.058 1.00 0.00 N ATOM 256 CA GLU A 17 52.320 -5.944 4.141 1.00 0.00 C ATOM 257 C GLU A 17 52.947 -5.047 5.224 1.00 0.00 C ATOM 258 O GLU A 17 52.249 -4.512 6.078 1.00 0.00 O ATOM 259 CB GLU A 17 51.853 -7.260 4.774 1.00 0.00 C ATOM 260 CG GLU A 17 53.006 -8.136 5.266 1.00 0.00 C ATOM 261 CD GLU A 17 52.547 -9.392 5.948 1.00 0.00 C ATOM 262 OE1 GLU A 17 52.183 -10.365 5.261 1.00 0.00 O ATOM 263 OE2 GLU A 17 52.560 -9.438 7.190 1.00 0.00 O ATOM 0 H GLU A 17 53.637 -7.181 3.087 1.00 0.00 H new ATOM 0 HA GLU A 17 51.475 -5.403 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.191 -7.038 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 51.267 -7.819 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.639 -8.401 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.622 -7.560 5.957 1.00 0.00 H new ATOM 270 N ARG A 18 54.251 -4.868 5.168 1.00 0.00 N ATOM 271 CA ARG A 18 54.956 -4.189 6.232 1.00 0.00 C ATOM 272 C ARG A 18 55.705 -2.966 5.688 1.00 0.00 C ATOM 273 O ARG A 18 56.472 -2.314 6.404 1.00 0.00 O ATOM 274 CB ARG A 18 55.913 -5.214 6.852 1.00 0.00 C ATOM 275 CG ARG A 18 56.489 -4.851 8.192 1.00 0.00 C ATOM 276 CD ARG A 18 57.298 -6.005 8.742 1.00 0.00 C ATOM 277 NE ARG A 18 57.652 -5.815 10.147 1.00 0.00 N ATOM 278 CZ ARG A 18 57.524 -6.763 11.088 1.00 0.00 C ATOM 279 NH1 ARG A 18 57.088 -7.978 10.754 1.00 0.00 N ATOM 280 NH2 ARG A 18 57.841 -6.502 12.354 1.00 0.00 N ATOM 0 H ARG A 18 54.842 -5.183 4.398 1.00 0.00 H new ATOM 0 HA ARG A 18 54.267 -3.813 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.384 -6.162 6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.737 -5.379 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.120 -3.967 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.686 -4.597 8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 18 56.729 -6.928 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.208 -6.121 8.153 1.00 0.00 H new ATOM 0 HE ARG A 18 58.019 -4.906 10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 18 56.852 -8.186 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 18 56.990 -8.699 11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 18 58.183 -5.577 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 18 57.741 -7.227 13.065 1.00 0.00 H new ATOM 294 N ILE A 19 55.420 -2.632 4.439 1.00 0.00 N ATOM 295 CA ILE A 19 56.104 -1.549 3.712 1.00 0.00 C ATOM 296 C ILE A 19 56.117 -0.201 4.448 1.00 0.00 C ATOM 297 O ILE A 19 57.161 0.459 4.492 1.00 0.00 O ATOM 298 CB ILE A 19 55.538 -1.397 2.264 1.00 0.00 C ATOM 299 CG1 ILE A 19 55.921 -2.615 1.415 1.00 0.00 C ATOM 300 CG2 ILE A 19 55.985 -0.106 1.590 1.00 0.00 C ATOM 301 CD1 ILE A 19 57.415 -2.825 1.238 1.00 0.00 C ATOM 0 H ILE A 19 54.703 -3.103 3.888 1.00 0.00 H new ATOM 0 HA ILE A 19 57.149 -1.855 3.653 1.00 0.00 H new ATOM 0 HB ILE A 19 54.452 -1.344 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 55.495 -3.508 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.464 -2.512 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.562 -0.054 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 19 55.640 0.747 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.073 -0.087 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 19 57.588 -3.709 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 19 57.850 -1.953 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 19 57.881 -2.964 2.214 1.00 0.00 H new ATOM 313 N SER A 20 55.011 0.171 5.068 1.00 0.00 N ATOM 314 CA SER A 20 54.906 1.463 5.732 1.00 0.00 C ATOM 315 C SER A 20 55.907 1.559 6.899 1.00 0.00 C ATOM 316 O SER A 20 56.557 2.593 7.100 1.00 0.00 O ATOM 317 CB SER A 20 53.478 1.667 6.231 1.00 0.00 C ATOM 318 OG SER A 20 52.536 1.362 5.196 1.00 0.00 O ATOM 0 H SER A 20 54.170 -0.403 5.127 1.00 0.00 H new ATOM 0 HA SER A 20 55.149 2.249 5.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 53.295 1.030 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.345 2.698 6.559 1.00 0.00 H new ATOM 0 HG SER A 20 51.625 1.496 5.533 1.00 0.00 H new ATOM 324 N ASP A 21 56.061 0.467 7.637 1.00 0.00 N ATOM 325 CA ASP A 21 56.991 0.436 8.768 1.00 0.00 C ATOM 326 C ASP A 21 58.414 0.417 8.266 1.00 0.00 C ATOM 327 O ASP A 21 59.287 1.131 8.770 1.00 0.00 O ATOM 328 CB ASP A 21 56.762 -0.784 9.675 1.00 0.00 C ATOM 329 CG ASP A 21 55.465 -0.739 10.439 1.00 0.00 C ATOM 330 OD1 ASP A 21 55.393 -0.021 11.470 1.00 0.00 O ATOM 331 OD2 ASP A 21 54.487 -1.434 10.041 1.00 0.00 O ATOM 0 H ASP A 21 55.559 -0.406 7.477 1.00 0.00 H new ATOM 0 HA ASP A 21 56.809 1.335 9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.782 -1.687 9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.587 -0.859 10.383 1.00 0.00 H new ATOM 336 N ILE A 22 58.633 -0.370 7.236 1.00 0.00 N ATOM 337 CA ILE A 22 59.948 -0.545 6.646 1.00 0.00 C ATOM 338 C ILE A 22 60.465 0.765 6.078 1.00 0.00 C ATOM 339 O ILE A 22 61.612 1.114 6.295 1.00 0.00 O ATOM 340 CB ILE A 22 59.917 -1.627 5.547 1.00 0.00 C ATOM 341 CG1 ILE A 22 59.390 -2.921 6.136 1.00 0.00 C ATOM 342 CG2 ILE A 22 61.314 -1.858 4.969 1.00 0.00 C ATOM 343 CD1 ILE A 22 59.098 -3.970 5.109 1.00 0.00 C ATOM 0 H ILE A 22 57.900 -0.912 6.779 1.00 0.00 H new ATOM 0 HA ILE A 22 60.626 -0.872 7.434 1.00 0.00 H new ATOM 0 HB ILE A 22 59.264 -1.290 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 22 60.120 -3.312 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 22 58.480 -2.711 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 22 61.266 -2.625 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 22 61.687 -0.930 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 22 61.987 -2.184 5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 22 58.725 -4.868 5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 22 58.346 -3.599 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 22 60.011 -4.209 4.563 1.00 0.00 H new ATOM 355 N SER A 23 59.598 1.497 5.413 1.00 0.00 N ATOM 356 CA SER A 23 59.942 2.771 4.810 1.00 0.00 C ATOM 357 C SER A 23 60.465 3.759 5.869 1.00 0.00 C ATOM 358 O SER A 23 61.476 4.429 5.660 1.00 0.00 O ATOM 359 CB SER A 23 58.717 3.339 4.072 1.00 0.00 C ATOM 360 OG SER A 23 59.004 4.554 3.412 1.00 0.00 O ATOM 0 H SER A 23 58.625 1.224 5.273 1.00 0.00 H new ATOM 0 HA SER A 23 60.744 2.618 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 23 58.363 2.608 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 23 57.908 3.498 4.785 1.00 0.00 H new ATOM 0 HG SER A 23 58.199 4.877 2.956 1.00 0.00 H new ATOM 366 N THR A 24 59.859 3.739 7.046 1.00 0.00 N ATOM 367 CA THR A 24 60.213 4.673 8.086 1.00 0.00 C ATOM 368 C THR A 24 61.542 4.259 8.698 1.00 0.00 C ATOM 369 O THR A 24 62.391 5.091 9.041 1.00 0.00 O ATOM 370 CB THR A 24 59.110 4.705 9.154 1.00 0.00 C ATOM 371 OG1 THR A 24 57.864 5.048 8.527 1.00 0.00 O ATOM 372 CG2 THR A 24 59.423 5.717 10.228 1.00 0.00 C ATOM 0 H THR A 24 59.120 3.083 7.298 1.00 0.00 H new ATOM 0 HA THR A 24 60.313 5.674 7.667 1.00 0.00 H new ATOM 0 HB THR A 24 59.045 3.721 9.619 1.00 0.00 H new ATOM 0 HG1 THR A 24 57.496 4.259 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 24 58.625 5.718 10.971 1.00 0.00 H new ATOM 0 HG22 THR A 24 60.366 5.457 10.709 1.00 0.00 H new ATOM 0 HG23 THR A 24 59.504 6.708 9.782 1.00 0.00 H new ATOM 380 N GLN A 25 61.717 2.970 8.773 1.00 0.00 N ATOM 381 CA GLN A 25 62.900 2.358 9.255 1.00 0.00 C ATOM 382 C GLN A 25 64.091 2.633 8.330 1.00 0.00 C ATOM 383 O GLN A 25 65.164 2.995 8.800 1.00 0.00 O ATOM 384 CB GLN A 25 62.634 0.882 9.397 1.00 0.00 C ATOM 385 CG GLN A 25 61.998 0.482 10.717 1.00 0.00 C ATOM 386 CD GLN A 25 61.743 -1.008 10.822 1.00 0.00 C ATOM 387 OE1 GLN A 25 61.776 -1.585 11.905 1.00 0.00 O ATOM 388 NE2 GLN A 25 61.471 -1.639 9.718 1.00 0.00 N ATOM 0 H GLN A 25 61.004 2.299 8.486 1.00 0.00 H new ATOM 0 HA GLN A 25 63.168 2.778 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.983 0.563 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 25 63.575 0.343 9.283 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.647 0.793 11.536 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.055 1.016 10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.451 -1.133 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 25 61.278 -2.640 9.737 1.00 0.00 H new ATOM 397 N LEU A 26 63.881 2.497 7.025 1.00 0.00 N ATOM 398 CA LEU A 26 64.903 2.730 6.033 1.00 0.00 C ATOM 399 C LEU A 26 65.254 4.204 5.956 1.00 0.00 C ATOM 400 O LEU A 26 66.404 4.572 5.762 1.00 0.00 O ATOM 401 CB LEU A 26 64.415 2.241 4.680 1.00 0.00 C ATOM 402 CG LEU A 26 64.077 0.755 4.577 1.00 0.00 C ATOM 403 CD1 LEU A 26 63.628 0.415 3.174 1.00 0.00 C ATOM 404 CD2 LEU A 26 65.262 -0.103 4.987 1.00 0.00 C ATOM 0 H LEU A 26 62.983 2.218 6.630 1.00 0.00 H new ATOM 0 HA LEU A 26 65.800 2.181 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 26 63.527 2.813 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 26 65.180 2.470 3.938 1.00 0.00 H new ATOM 0 HG LEU A 26 63.258 0.542 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 26 63.390 -0.647 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 62.742 0.999 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 64.427 0.647 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.994 -1.156 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 26 66.108 0.109 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.535 0.122 6.018 1.00 0.00 H new ATOM 416 N ASN A 27 64.251 5.036 6.148 1.00 0.00 N ATOM 417 CA ASN A 27 64.389 6.487 6.131 1.00 0.00 C ATOM 418 C ASN A 27 65.191 6.948 7.366 1.00 0.00 C ATOM 419 O ASN A 27 65.664 8.064 7.437 1.00 0.00 O ATOM 420 CB ASN A 27 62.977 7.085 6.159 1.00 0.00 C ATOM 421 CG ASN A 27 62.859 8.534 5.720 1.00 0.00 C ATOM 422 OD1 ASN A 27 63.755 9.356 5.876 1.00 0.00 O ATOM 423 ND2 ASN A 27 61.738 8.849 5.155 1.00 0.00 N ATOM 0 H ASN A 27 63.297 4.722 6.324 1.00 0.00 H new ATOM 0 HA ASN A 27 64.921 6.817 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.335 6.479 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.588 7.001 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.583 9.802 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.010 8.144 5.038 1.00 0.00 H new ATOM 430 N ALA A 28 65.356 6.057 8.325 1.00 0.00 N ATOM 431 CA ALA A 28 66.076 6.366 9.540 1.00 0.00 C ATOM 432 C ALA A 28 67.557 5.967 9.451 1.00 0.00 C ATOM 433 O ALA A 28 68.290 6.064 10.444 1.00 0.00 O ATOM 434 CB ALA A 28 65.408 5.713 10.738 1.00 0.00 C ATOM 0 H ALA A 28 64.996 5.104 8.282 1.00 0.00 H new ATOM 0 HA ALA A 28 66.045 7.448 9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 28 65.965 5.957 11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 28 64.386 6.081 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.393 4.632 10.602 1.00 0.00 H new ATOM 440 N PHE A 29 67.999 5.503 8.287 1.00 0.00 N ATOM 441 CA PHE A 29 69.382 5.198 8.074 1.00 0.00 C ATOM 442 C PHE A 29 70.097 6.467 7.617 1.00 0.00 C ATOM 443 O PHE A 29 69.480 7.312 6.962 1.00 0.00 O ATOM 444 CB PHE A 29 69.525 4.095 7.030 1.00 0.00 C ATOM 445 CG PHE A 29 69.250 2.707 7.513 1.00 0.00 C ATOM 446 CD1 PHE A 29 67.966 2.292 7.707 1.00 0.00 C ATOM 447 CD2 PHE A 29 70.283 1.824 7.776 1.00 0.00 C ATOM 448 CE1 PHE A 29 67.691 1.021 8.159 1.00 0.00 C ATOM 449 CE2 PHE A 29 70.016 0.555 8.231 1.00 0.00 C ATOM 450 CZ PHE A 29 68.722 0.152 8.419 1.00 0.00 C ATOM 0 H PHE A 29 67.401 5.334 7.478 1.00 0.00 H new ATOM 0 HA PHE A 29 69.830 4.841 9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 29 68.849 4.313 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 29 70.539 4.127 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 29 67.151 2.971 7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 29 71.306 2.134 7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 29 66.668 0.709 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.829 -0.125 8.440 1.00 0.00 H new ATOM 0 HZ PHE A 29 68.512 -0.847 8.771 1.00 0.00 H new ATOM 460 N PRO A 30 71.394 6.622 7.947 1.00 0.00 N ATOM 461 CA PRO A 30 72.157 7.841 7.642 1.00 0.00 C ATOM 462 C PRO A 30 72.252 8.134 6.150 1.00 0.00 C ATOM 463 O PRO A 30 73.026 7.495 5.414 1.00 0.00 O ATOM 464 CB PRO A 30 73.555 7.574 8.215 1.00 0.00 C ATOM 465 CG PRO A 30 73.384 6.428 9.146 1.00 0.00 C ATOM 466 CD PRO A 30 72.232 5.620 8.621 1.00 0.00 C ATOM 0 HA PRO A 30 71.667 8.715 8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 30 74.266 7.335 7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 30 73.941 8.450 8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 30 74.292 5.826 9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 30 73.183 6.778 10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 30 72.566 4.845 7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 30 71.692 5.120 9.425 1.00 0.00 H new ATOM 474 N GLY A 31 71.416 9.038 5.700 1.00 0.00 N ATOM 475 CA GLY A 31 71.448 9.467 4.330 1.00 0.00 C ATOM 476 C GLY A 31 70.652 8.572 3.427 1.00 0.00 C ATOM 477 O GLY A 31 70.823 8.599 2.206 1.00 0.00 O ATOM 0 H GLY A 31 70.702 9.491 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 31 71.060 10.483 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 31 72.482 9.497 3.986 1.00 0.00 H new ATOM 481 N CYS A 32 69.812 7.761 4.004 1.00 0.00 N ATOM 482 CA CYS A 32 68.985 6.902 3.250 1.00 0.00 C ATOM 483 C CYS A 32 67.569 7.412 3.336 1.00 0.00 C ATOM 484 O CYS A 32 66.968 7.414 4.411 1.00 0.00 O ATOM 485 CB CYS A 32 69.086 5.520 3.824 1.00 0.00 C ATOM 486 SG CYS A 32 70.786 4.934 3.974 1.00 0.00 S ATOM 0 H CYS A 32 69.691 7.687 5.014 1.00 0.00 H new ATOM 0 HA CYS A 32 69.292 6.874 2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 32 68.616 5.507 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 32 68.525 4.830 3.194 1.00 0.00 H new ATOM 0 HG CYS A 32 70.789 3.736 4.479 1.00 0.00 H new ATOM 492 N GLU A 33 67.063 7.901 2.241 1.00 0.00 N ATOM 493 CA GLU A 33 65.724 8.419 2.213 1.00 0.00 C ATOM 494 C GLU A 33 64.928 7.666 1.174 1.00 0.00 C ATOM 495 O GLU A 33 65.451 7.335 0.099 1.00 0.00 O ATOM 496 CB GLU A 33 65.727 9.916 1.897 1.00 0.00 C ATOM 497 CG GLU A 33 64.386 10.598 2.133 1.00 0.00 C ATOM 498 CD GLU A 33 64.410 12.074 1.829 1.00 0.00 C ATOM 499 OE1 GLU A 33 65.061 12.840 2.584 1.00 0.00 O ATOM 500 OE2 GLU A 33 63.769 12.502 0.831 1.00 0.00 O ATOM 0 H GLU A 33 67.559 7.952 1.351 1.00 0.00 H new ATOM 0 HA GLU A 33 65.268 8.286 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 33 66.485 10.405 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 33 66.017 10.057 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.628 10.118 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 33 64.089 10.452 3.172 1.00 0.00 H new ATOM 507 N VAL A 34 63.698 7.366 1.494 1.00 0.00 N ATOM 508 CA VAL A 34 62.821 6.684 0.575 1.00 0.00 C ATOM 509 C VAL A 34 62.276 7.717 -0.407 1.00 0.00 C ATOM 510 O VAL A 34 61.674 8.711 0.003 1.00 0.00 O ATOM 511 CB VAL A 34 61.646 5.998 1.317 1.00 0.00 C ATOM 512 CG1 VAL A 34 60.789 5.197 0.347 1.00 0.00 C ATOM 513 CG2 VAL A 34 62.161 5.104 2.436 1.00 0.00 C ATOM 0 H VAL A 34 63.275 7.586 2.396 1.00 0.00 H new ATOM 0 HA VAL A 34 63.379 5.906 0.055 1.00 0.00 H new ATOM 0 HB VAL A 34 61.026 6.778 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.970 4.724 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 34 60.383 5.863 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 34 61.399 4.430 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 34 61.318 4.633 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 34 62.809 4.334 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 34 62.725 5.704 3.151 1.00 0.00 H new ATOM 523 N ALA A 35 62.522 7.507 -1.670 1.00 0.00 N ATOM 524 CA ALA A 35 62.112 8.447 -2.690 1.00 0.00 C ATOM 525 C ALA A 35 60.752 8.070 -3.248 1.00 0.00 C ATOM 526 O ALA A 35 59.885 8.920 -3.427 1.00 0.00 O ATOM 527 CB ALA A 35 63.151 8.516 -3.798 1.00 0.00 C ATOM 0 H ALA A 35 63.010 6.685 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 35 62.030 9.435 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 35 62.827 9.228 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 35 64.105 8.839 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 35 63.267 7.531 -4.250 1.00 0.00 H new ATOM 533 N VAL A 36 60.563 6.796 -3.502 1.00 0.00 N ATOM 534 CA VAL A 36 59.316 6.296 -4.051 1.00 0.00 C ATOM 535 C VAL A 36 58.910 5.076 -3.260 1.00 0.00 C ATOM 536 O VAL A 36 59.734 4.185 -3.031 1.00 0.00 O ATOM 537 CB VAL A 36 59.446 5.898 -5.565 1.00 0.00 C ATOM 538 CG1 VAL A 36 58.117 5.390 -6.117 1.00 0.00 C ATOM 539 CG2 VAL A 36 59.950 7.066 -6.409 1.00 0.00 C ATOM 0 H VAL A 36 61.265 6.075 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 36 58.571 7.089 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 36 60.178 5.093 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 36 58.238 5.122 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 36 57.800 4.513 -5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 36 57.363 6.172 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 60.028 6.755 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 59.252 7.900 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 36 60.930 7.378 -6.049 1.00 0.00 H new ATOM 549 N SER A 37 57.683 5.038 -2.813 1.00 0.00 N ATOM 550 CA SER A 37 57.204 3.908 -2.074 1.00 0.00 C ATOM 551 C SER A 37 56.106 3.228 -2.865 1.00 0.00 C ATOM 552 O SER A 37 55.192 3.901 -3.361 1.00 0.00 O ATOM 553 CB SER A 37 56.634 4.358 -0.736 1.00 0.00 C ATOM 554 OG SER A 37 57.506 5.258 -0.068 1.00 0.00 O ATOM 0 H SER A 37 56.997 5.781 -2.950 1.00 0.00 H new ATOM 0 HA SER A 37 58.032 3.220 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 37 55.668 4.838 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 37 56.457 3.487 -0.105 1.00 0.00 H new ATOM 0 HG SER A 37 57.107 5.527 0.786 1.00 0.00 H new ATOM 560 N ASP A 38 56.195 1.933 -3.029 1.00 0.00 N ATOM 561 CA ASP A 38 55.134 1.216 -3.681 1.00 0.00 C ATOM 562 C ASP A 38 54.805 -0.022 -2.890 1.00 0.00 C ATOM 563 O ASP A 38 55.408 -1.093 -3.075 1.00 0.00 O ATOM 564 CB ASP A 38 55.493 0.868 -5.124 1.00 0.00 C ATOM 565 CG ASP A 38 54.331 0.350 -5.909 1.00 0.00 C ATOM 566 OD1 ASP A 38 53.501 1.159 -6.344 1.00 0.00 O ATOM 567 OD2 ASP A 38 54.251 -0.867 -6.159 1.00 0.00 O ATOM 0 H ASP A 38 56.982 1.361 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 38 54.254 1.858 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 38 55.890 1.755 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 38 56.286 0.121 -5.125 1.00 0.00 H new ATOM 572 N ALA A 39 53.890 0.146 -1.960 1.00 0.00 N ATOM 573 CA ALA A 39 53.419 -0.932 -1.099 1.00 0.00 C ATOM 574 C ALA A 39 52.805 -2.120 -1.882 1.00 0.00 C ATOM 575 O ALA A 39 53.050 -3.274 -1.508 1.00 0.00 O ATOM 576 CB ALA A 39 52.452 -0.408 -0.040 1.00 0.00 C ATOM 0 H ALA A 39 53.443 1.044 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 39 54.302 -1.327 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 39 52.117 -1.234 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 39 52.956 0.335 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 39 51.591 0.049 -0.528 1.00 0.00 H new ATOM 582 N PRO A 40 51.986 -1.883 -2.969 1.00 0.00 N ATOM 583 CA PRO A 40 51.425 -2.964 -3.804 1.00 0.00 C ATOM 584 C PRO A 40 52.490 -3.960 -4.307 1.00 0.00 C ATOM 585 O PRO A 40 52.314 -5.167 -4.192 1.00 0.00 O ATOM 586 CB PRO A 40 50.817 -2.187 -5.001 1.00 0.00 C ATOM 587 CG PRO A 40 51.425 -0.842 -4.890 1.00 0.00 C ATOM 588 CD PRO A 40 51.481 -0.586 -3.447 1.00 0.00 C ATOM 0 HA PRO A 40 50.716 -3.578 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.062 -2.660 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 40 49.730 -2.142 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.419 -0.817 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 40 50.825 -0.091 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.149 0.238 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 40 50.504 -0.341 -3.030 1.00 0.00 H new ATOM 596 N SER A 41 53.618 -3.462 -4.792 1.00 0.00 N ATOM 597 CA SER A 41 54.630 -4.352 -5.332 1.00 0.00 C ATOM 598 C SER A 41 55.684 -4.719 -4.278 1.00 0.00 C ATOM 599 O SER A 41 56.580 -5.525 -4.542 1.00 0.00 O ATOM 600 CB SER A 41 55.283 -3.708 -6.544 1.00 0.00 C ATOM 601 OG SER A 41 54.282 -3.172 -7.404 1.00 0.00 O ATOM 0 H SER A 41 53.851 -2.469 -4.822 1.00 0.00 H new ATOM 0 HA SER A 41 54.143 -5.279 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 55.963 -2.918 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 41 55.880 -4.445 -7.081 1.00 0.00 H new ATOM 0 HG SER A 41 54.063 -2.260 -7.122 1.00 0.00 H new ATOM 607 N GLY A 42 55.578 -4.124 -3.095 1.00 0.00 N ATOM 608 CA GLY A 42 56.523 -4.423 -2.036 1.00 0.00 C ATOM 609 C GLY A 42 57.882 -3.814 -2.302 1.00 0.00 C ATOM 610 O GLY A 42 58.902 -4.321 -1.841 1.00 0.00 O ATOM 0 H GLY A 42 54.858 -3.443 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 42 56.137 -4.048 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 42 56.623 -5.504 -1.934 1.00 0.00 H new ATOM 614 N GLN A 43 57.896 -2.737 -3.065 1.00 0.00 N ATOM 615 CA GLN A 43 59.135 -2.130 -3.484 1.00 0.00 C ATOM 616 C GLN A 43 59.274 -0.740 -2.923 1.00 0.00 C ATOM 617 O GLN A 43 58.357 0.085 -3.011 1.00 0.00 O ATOM 618 CB GLN A 43 59.222 -2.085 -5.005 1.00 0.00 C ATOM 619 CG GLN A 43 59.084 -3.448 -5.644 1.00 0.00 C ATOM 620 CD GLN A 43 59.061 -3.429 -7.162 1.00 0.00 C ATOM 621 OE1 GLN A 43 59.469 -4.394 -7.800 1.00 0.00 O ATOM 622 NE2 GLN A 43 58.609 -2.355 -7.753 1.00 0.00 N ATOM 0 H GLN A 43 57.057 -2.267 -3.406 1.00 0.00 H new ATOM 0 HA GLN A 43 59.951 -2.742 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 43 58.441 -1.429 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 43 60.177 -1.648 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 43 59.911 -4.076 -5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 43 58.166 -3.913 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 43 58.276 -1.568 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 43 58.589 -2.304 -8.772 1.00 0.00 H new ATOM 631 N LEU A 44 60.387 -0.504 -2.330 1.00 0.00 N ATOM 632 CA LEU A 44 60.734 0.788 -1.798 1.00 0.00 C ATOM 633 C LEU A 44 61.994 1.284 -2.460 1.00 0.00 C ATOM 634 O LEU A 44 63.005 0.582 -2.486 1.00 0.00 O ATOM 635 CB LEU A 44 60.926 0.715 -0.280 1.00 0.00 C ATOM 636 CG LEU A 44 59.665 0.513 0.551 1.00 0.00 C ATOM 637 CD1 LEU A 44 60.025 0.178 1.982 1.00 0.00 C ATOM 638 CD2 LEU A 44 58.829 1.774 0.521 1.00 0.00 C ATOM 0 H LEU A 44 61.108 -1.212 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 44 59.921 1.484 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 44 61.614 -0.101 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 44 61.408 1.636 0.049 1.00 0.00 H new ATOM 0 HG LEU A 44 59.095 -0.314 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 44 59.114 0.037 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 44 60.615 -0.738 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 44 60.606 0.994 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 57.928 1.627 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 44 59.405 2.602 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 44 58.551 2.002 -0.508 1.00 0.00 H new ATOM 650 N ILE A 45 61.927 2.457 -3.027 1.00 0.00 N ATOM 651 CA ILE A 45 63.078 3.059 -3.648 1.00 0.00 C ATOM 652 C ILE A 45 63.760 3.933 -2.625 1.00 0.00 C ATOM 653 O ILE A 45 63.174 4.899 -2.132 1.00 0.00 O ATOM 654 CB ILE A 45 62.676 3.908 -4.889 1.00 0.00 C ATOM 655 CG1 ILE A 45 62.048 3.030 -5.986 1.00 0.00 C ATOM 656 CG2 ILE A 45 63.865 4.693 -5.442 1.00 0.00 C ATOM 657 CD1 ILE A 45 62.972 1.960 -6.537 1.00 0.00 C ATOM 0 H ILE A 45 61.079 3.021 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 45 63.750 2.274 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 45 61.926 4.627 -4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 45 61.155 2.550 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 45 61.724 3.671 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 45 63.547 5.274 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 45 64.246 5.366 -4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 45 64.652 4.000 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 45 62.450 1.388 -7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 45 63.854 2.430 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 45 63.277 1.292 -5.731 1.00 0.00 H new ATOM 669 N VAL A 46 64.973 3.606 -2.312 1.00 0.00 N ATOM 670 CA VAL A 46 65.724 4.311 -1.306 1.00 0.00 C ATOM 671 C VAL A 46 66.956 4.898 -1.940 1.00 0.00 C ATOM 672 O VAL A 46 67.658 4.212 -2.655 1.00 0.00 O ATOM 673 CB VAL A 46 66.139 3.364 -0.139 1.00 0.00 C ATOM 674 CG1 VAL A 46 66.952 4.103 0.916 1.00 0.00 C ATOM 675 CG2 VAL A 46 64.914 2.735 0.506 1.00 0.00 C ATOM 0 H VAL A 46 65.481 2.836 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 46 65.096 5.099 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 46 66.762 2.578 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 46 67.224 3.413 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 46 67.856 4.507 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.358 4.918 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 46 65.227 2.078 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 46 64.268 3.519 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 46 64.367 2.156 -0.239 1.00 0.00 H new ATOM 685 N VAL A 47 67.194 6.152 -1.718 1.00 0.00 N ATOM 686 CA VAL A 47 68.375 6.779 -2.239 1.00 0.00 C ATOM 687 C VAL A 47 69.361 6.951 -1.110 1.00 0.00 C ATOM 688 O VAL A 47 69.082 7.665 -0.130 1.00 0.00 O ATOM 689 CB VAL A 47 68.081 8.147 -2.903 1.00 0.00 C ATOM 690 CG1 VAL A 47 69.357 8.753 -3.479 1.00 0.00 C ATOM 691 CG2 VAL A 47 67.019 7.999 -3.992 1.00 0.00 C ATOM 0 H VAL A 47 66.586 6.767 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 47 68.786 6.138 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 47 67.697 8.822 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 47 69.128 9.713 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 47 70.084 8.899 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 47 69.773 8.080 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 47 66.826 8.971 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 47 67.374 7.306 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 66.098 7.615 -3.553 1.00 0.00 H new ATOM 701 N VAL A 48 70.465 6.270 -1.211 1.00 0.00 N ATOM 702 CA VAL A 48 71.496 6.340 -0.210 1.00 0.00 C ATOM 703 C VAL A 48 72.594 7.258 -0.692 1.00 0.00 C ATOM 704 O VAL A 48 73.164 7.051 -1.775 1.00 0.00 O ATOM 705 CB VAL A 48 72.082 4.947 0.115 1.00 0.00 C ATOM 706 CG1 VAL A 48 73.145 5.038 1.212 1.00 0.00 C ATOM 707 CG2 VAL A 48 70.977 4.003 0.534 1.00 0.00 C ATOM 0 H VAL A 48 70.679 5.648 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 48 71.052 6.729 0.706 1.00 0.00 H new ATOM 0 HB VAL A 48 72.559 4.560 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 48 73.539 4.043 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 48 73.955 5.688 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 72.699 5.448 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.401 3.025 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.479 4.397 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 48 70.254 3.906 -0.276 1.00 0.00 H new ATOM 717 N GLU A 49 72.850 8.270 0.084 1.00 0.00 N ATOM 718 CA GLU A 49 73.855 9.249 -0.219 1.00 0.00 C ATOM 719 C GLU A 49 75.055 9.048 0.713 1.00 0.00 C ATOM 720 O GLU A 49 74.885 8.796 1.926 1.00 0.00 O ATOM 721 CB GLU A 49 73.240 10.651 -0.071 1.00 0.00 C ATOM 722 CG GLU A 49 72.761 10.955 1.339 1.00 0.00 C ATOM 723 CD GLU A 49 71.762 12.078 1.434 1.00 0.00 C ATOM 724 OE1 GLU A 49 71.078 12.386 0.439 1.00 0.00 O ATOM 725 OE2 GLU A 49 71.592 12.632 2.533 1.00 0.00 O ATOM 0 H GLU A 49 72.358 8.442 0.961 1.00 0.00 H new ATOM 0 HA GLU A 49 74.210 9.139 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 49 73.979 11.397 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 49 72.401 10.746 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 49 72.315 10.053 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 49 73.625 11.201 1.957 1.00 0.00 H new ATOM 732 N ALA A 50 76.243 9.087 0.154 1.00 0.00 N ATOM 733 CA ALA A 50 77.460 8.939 0.923 1.00 0.00 C ATOM 734 C ALA A 50 78.630 9.508 0.155 1.00 0.00 C ATOM 735 O ALA A 50 78.543 9.721 -1.063 1.00 0.00 O ATOM 736 CB ALA A 50 77.721 7.474 1.264 1.00 0.00 C ATOM 0 H ALA A 50 76.394 9.222 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 50 77.341 9.489 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 50 78.642 7.393 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.889 7.083 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.819 6.898 0.344 1.00 0.00 H new ATOM 742 N GLU A 51 79.706 9.750 0.850 1.00 0.00 N ATOM 743 CA GLU A 51 80.902 10.282 0.256 1.00 0.00 C ATOM 744 C GLU A 51 81.839 9.133 -0.110 1.00 0.00 C ATOM 745 O GLU A 51 82.176 8.941 -1.271 1.00 0.00 O ATOM 746 CB GLU A 51 81.595 11.225 1.252 1.00 0.00 C ATOM 747 CG GLU A 51 82.820 11.954 0.703 1.00 0.00 C ATOM 748 CD GLU A 51 82.479 12.951 -0.382 1.00 0.00 C ATOM 749 OE1 GLU A 51 82.068 14.097 -0.048 1.00 0.00 O ATOM 750 OE2 GLU A 51 82.636 12.636 -1.581 1.00 0.00 O ATOM 0 H GLU A 51 79.779 9.582 1.853 1.00 0.00 H new ATOM 0 HA GLU A 51 80.647 10.840 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 80.871 11.966 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 51 81.895 10.648 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 51 83.323 12.472 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 51 83.524 11.222 0.308 1.00 0.00 H new ATOM 757 N ASP A 52 82.204 8.344 0.878 1.00 0.00 N ATOM 758 CA ASP A 52 83.162 7.252 0.690 1.00 0.00 C ATOM 759 C ASP A 52 82.478 6.009 0.150 1.00 0.00 C ATOM 760 O ASP A 52 81.306 5.738 0.472 1.00 0.00 O ATOM 761 CB ASP A 52 83.901 6.928 1.989 1.00 0.00 C ATOM 762 CG ASP A 52 84.796 8.044 2.478 1.00 0.00 C ATOM 763 OD1 ASP A 52 85.945 8.145 2.023 1.00 0.00 O ATOM 764 OD2 ASP A 52 84.383 8.832 3.360 1.00 0.00 O ATOM 0 H ASP A 52 81.853 8.432 1.832 1.00 0.00 H new ATOM 0 HA ASP A 52 83.895 7.588 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 52 83.170 6.696 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 52 84.503 6.032 1.840 1.00 0.00 H new ATOM 769 N SER A 53 83.191 5.245 -0.655 1.00 0.00 N ATOM 770 CA SER A 53 82.641 4.081 -1.320 1.00 0.00 C ATOM 771 C SER A 53 82.283 2.970 -0.336 1.00 0.00 C ATOM 772 O SER A 53 81.175 2.427 -0.374 1.00 0.00 O ATOM 773 CB SER A 53 83.607 3.602 -2.409 1.00 0.00 C ATOM 774 OG SER A 53 84.928 3.520 -1.902 1.00 0.00 O ATOM 0 H SER A 53 84.174 5.416 -0.867 1.00 0.00 H new ATOM 0 HA SER A 53 81.703 4.368 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 53 83.292 2.626 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 53 83.578 4.288 -3.256 1.00 0.00 H new ATOM 0 HG SER A 53 85.531 3.211 -2.610 1.00 0.00 H new ATOM 780 N GLU A 54 83.175 2.684 0.578 1.00 0.00 N ATOM 781 CA GLU A 54 82.952 1.635 1.546 1.00 0.00 C ATOM 782 C GLU A 54 81.924 2.056 2.565 1.00 0.00 C ATOM 783 O GLU A 54 81.108 1.252 2.986 1.00 0.00 O ATOM 784 CB GLU A 54 84.247 1.119 2.212 1.00 0.00 C ATOM 785 CG GLU A 54 85.144 2.168 2.847 1.00 0.00 C ATOM 786 CD GLU A 54 85.838 3.031 1.834 1.00 0.00 C ATOM 787 OE1 GLU A 54 86.918 2.642 1.344 1.00 0.00 O ATOM 788 OE2 GLU A 54 85.295 4.079 1.472 1.00 0.00 O ATOM 0 H GLU A 54 84.069 3.165 0.674 1.00 0.00 H new ATOM 0 HA GLU A 54 82.558 0.783 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 54 83.972 0.395 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 54 84.827 0.583 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 54 84.547 2.798 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 54 85.891 1.673 3.468 1.00 0.00 H new ATOM 795 N THR A 55 81.923 3.332 2.912 1.00 0.00 N ATOM 796 CA THR A 55 80.940 3.879 3.824 1.00 0.00 C ATOM 797 C THR A 55 79.528 3.736 3.209 1.00 0.00 C ATOM 798 O THR A 55 78.543 3.460 3.914 1.00 0.00 O ATOM 799 CB THR A 55 81.266 5.346 4.101 1.00 0.00 C ATOM 800 OG1 THR A 55 82.648 5.430 4.472 1.00 0.00 O ATOM 801 CG2 THR A 55 80.409 5.900 5.233 1.00 0.00 C ATOM 0 H THR A 55 82.601 4.013 2.570 1.00 0.00 H new ATOM 0 HA THR A 55 80.963 3.333 4.767 1.00 0.00 H new ATOM 0 HB THR A 55 81.060 5.933 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 55 82.843 6.330 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 55 80.665 6.945 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 55 79.356 5.824 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 55 80.592 5.327 6.142 1.00 0.00 H new ATOM 809 N LEU A 56 79.451 3.886 1.890 1.00 0.00 N ATOM 810 CA LEU A 56 78.213 3.688 1.157 1.00 0.00 C ATOM 811 C LEU A 56 77.780 2.232 1.303 1.00 0.00 C ATOM 812 O LEU A 56 76.659 1.949 1.721 1.00 0.00 O ATOM 813 CB LEU A 56 78.428 4.016 -0.328 1.00 0.00 C ATOM 814 CG LEU A 56 77.227 3.836 -1.261 1.00 0.00 C ATOM 815 CD1 LEU A 56 76.135 4.851 -0.964 1.00 0.00 C ATOM 816 CD2 LEU A 56 77.667 3.917 -2.712 1.00 0.00 C ATOM 0 H LEU A 56 80.244 4.147 1.304 1.00 0.00 H new ATOM 0 HA LEU A 56 77.441 4.346 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 56 78.762 5.051 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.241 3.392 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 56 76.807 2.846 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.298 4.695 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 56 75.795 4.729 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.528 5.859 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.802 3.787 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.120 4.890 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 56 78.395 3.132 -2.916 1.00 0.00 H new ATOM 828 N ILE A 57 78.716 1.326 1.024 1.00 0.00 N ATOM 829 CA ILE A 57 78.479 -0.115 1.102 1.00 0.00 C ATOM 830 C ILE A 57 78.028 -0.521 2.508 1.00 0.00 C ATOM 831 O ILE A 57 77.027 -1.197 2.655 1.00 0.00 O ATOM 832 CB ILE A 57 79.743 -0.924 0.684 1.00 0.00 C ATOM 833 CG1 ILE A 57 80.137 -0.558 -0.756 1.00 0.00 C ATOM 834 CG2 ILE A 57 79.490 -2.435 0.801 1.00 0.00 C ATOM 835 CD1 ILE A 57 81.420 -1.201 -1.235 1.00 0.00 C ATOM 0 H ILE A 57 79.663 1.571 0.736 1.00 0.00 H new ATOM 0 HA ILE A 57 77.680 -0.352 0.400 1.00 0.00 H new ATOM 0 HB ILE A 57 80.561 -0.667 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 57 79.327 -0.848 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 57 80.239 0.525 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 57 80.387 -2.978 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 57 79.241 -2.683 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 57 78.663 -2.717 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 57 81.623 -0.889 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 57 82.244 -0.892 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 57 81.319 -2.286 -1.199 1.00 0.00 H new ATOM 847 N GLN A 58 78.755 -0.052 3.530 1.00 0.00 N ATOM 848 CA GLN A 58 78.438 -0.328 4.948 1.00 0.00 C ATOM 849 C GLN A 58 76.992 0.016 5.264 1.00 0.00 C ATOM 850 O GLN A 58 76.260 -0.786 5.857 1.00 0.00 O ATOM 851 CB GLN A 58 79.352 0.482 5.873 1.00 0.00 C ATOM 852 CG GLN A 58 80.809 0.078 5.822 1.00 0.00 C ATOM 853 CD GLN A 58 81.706 0.976 6.657 1.00 0.00 C ATOM 854 OE1 GLN A 58 81.437 2.169 6.837 1.00 0.00 O ATOM 855 NE2 GLN A 58 82.760 0.419 7.180 1.00 0.00 N ATOM 0 H GLN A 58 79.582 0.531 3.403 1.00 0.00 H new ATOM 0 HA GLN A 58 78.597 -1.393 5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 58 79.271 1.537 5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 58 78.995 0.379 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.907 -0.950 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.149 0.097 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 58 82.952 -0.568 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 58 83.394 0.970 7.759 1.00 0.00 H new ATOM 864 N THR A 59 76.584 1.191 4.839 1.00 0.00 N ATOM 865 CA THR A 59 75.248 1.666 5.072 1.00 0.00 C ATOM 866 C THR A 59 74.226 0.780 4.327 1.00 0.00 C ATOM 867 O THR A 59 73.214 0.366 4.901 1.00 0.00 O ATOM 868 CB THR A 59 75.130 3.142 4.632 1.00 0.00 C ATOM 869 OG1 THR A 59 76.227 3.888 5.208 1.00 0.00 O ATOM 870 CG2 THR A 59 73.825 3.744 5.122 1.00 0.00 C ATOM 0 H THR A 59 77.175 1.842 4.321 1.00 0.00 H new ATOM 0 HA THR A 59 75.028 1.607 6.138 1.00 0.00 H new ATOM 0 HB THR A 59 75.157 3.189 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.008 3.829 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 59 73.761 4.784 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 59 72.987 3.184 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 59 73.788 3.697 6.210 1.00 0.00 H new ATOM 878 N ILE A 60 74.537 0.438 3.074 1.00 0.00 N ATOM 879 CA ILE A 60 73.672 -0.424 2.259 1.00 0.00 C ATOM 880 C ILE A 60 73.555 -1.822 2.894 1.00 0.00 C ATOM 881 O ILE A 60 72.476 -2.420 2.915 1.00 0.00 O ATOM 882 CB ILE A 60 74.183 -0.529 0.785 1.00 0.00 C ATOM 883 CG1 ILE A 60 74.183 0.864 0.128 1.00 0.00 C ATOM 884 CG2 ILE A 60 73.330 -1.511 -0.033 1.00 0.00 C ATOM 885 CD1 ILE A 60 74.735 0.892 -1.285 1.00 0.00 C ATOM 0 H ILE A 60 75.385 0.746 2.599 1.00 0.00 H new ATOM 0 HA ILE A 60 72.683 0.033 2.230 1.00 0.00 H new ATOM 0 HB ILE A 60 75.203 -0.913 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 60 73.162 1.245 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 60 74.768 1.544 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 60 73.711 -1.561 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 60 73.378 -2.501 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 60 72.295 -1.169 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 60 74.697 1.911 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 60 75.768 0.544 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 60 74.137 0.241 -1.922 1.00 0.00 H new ATOM 897 N GLU A 61 74.661 -2.317 3.439 1.00 0.00 N ATOM 898 CA GLU A 61 74.677 -3.598 4.127 1.00 0.00 C ATOM 899 C GLU A 61 73.770 -3.564 5.331 1.00 0.00 C ATOM 900 O GLU A 61 73.048 -4.522 5.604 1.00 0.00 O ATOM 901 CB GLU A 61 76.088 -3.994 4.559 1.00 0.00 C ATOM 902 CG GLU A 61 77.028 -4.275 3.411 1.00 0.00 C ATOM 903 CD GLU A 61 76.497 -5.348 2.504 1.00 0.00 C ATOM 904 OE1 GLU A 61 76.434 -6.532 2.933 1.00 0.00 O ATOM 905 OE2 GLU A 61 76.113 -5.036 1.360 1.00 0.00 O ATOM 0 H GLU A 61 75.564 -1.844 3.416 1.00 0.00 H new ATOM 0 HA GLU A 61 74.316 -4.346 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.507 -3.195 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 61 76.028 -4.880 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 61 77.186 -3.361 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.999 -4.578 3.802 1.00 0.00 H new ATOM 912 N SER A 62 73.775 -2.451 6.030 1.00 0.00 N ATOM 913 CA SER A 62 72.940 -2.280 7.191 1.00 0.00 C ATOM 914 C SER A 62 71.467 -2.301 6.756 1.00 0.00 C ATOM 915 O SER A 62 70.633 -2.892 7.430 1.00 0.00 O ATOM 916 CB SER A 62 73.281 -0.967 7.885 1.00 0.00 C ATOM 917 OG SER A 62 72.730 -0.879 9.194 1.00 0.00 O ATOM 0 H SER A 62 74.357 -1.643 5.808 1.00 0.00 H new ATOM 0 HA SER A 62 73.113 -3.092 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 62 74.364 -0.862 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 62 72.912 -0.136 7.283 1.00 0.00 H new ATOM 0 HG SER A 62 72.978 -0.021 9.596 1.00 0.00 H new ATOM 923 N VAL A 63 71.178 -1.698 5.595 1.00 0.00 N ATOM 924 CA VAL A 63 69.827 -1.672 5.012 1.00 0.00 C ATOM 925 C VAL A 63 69.322 -3.111 4.800 1.00 0.00 C ATOM 926 O VAL A 63 68.175 -3.443 5.099 1.00 0.00 O ATOM 927 CB VAL A 63 69.830 -0.939 3.630 1.00 0.00 C ATOM 928 CG1 VAL A 63 68.458 -0.992 2.965 1.00 0.00 C ATOM 929 CG2 VAL A 63 70.270 0.507 3.785 1.00 0.00 C ATOM 0 H VAL A 63 71.876 -1.213 5.031 1.00 0.00 H new ATOM 0 HA VAL A 63 69.174 -1.138 5.702 1.00 0.00 H new ATOM 0 HB VAL A 63 70.542 -1.461 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 68.498 -0.473 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.172 -2.031 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.723 -0.510 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 63 70.264 0.996 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 63 69.585 1.026 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 63 71.277 0.538 4.200 1.00 0.00 H new ATOM 939 N ARG A 64 70.225 -3.964 4.335 1.00 0.00 N ATOM 940 CA ARG A 64 69.922 -5.370 4.036 1.00 0.00 C ATOM 941 C ARG A 64 69.575 -6.136 5.306 1.00 0.00 C ATOM 942 O ARG A 64 68.893 -7.155 5.266 1.00 0.00 O ATOM 943 CB ARG A 64 71.126 -6.056 3.404 1.00 0.00 C ATOM 944 CG ARG A 64 71.710 -5.372 2.191 1.00 0.00 C ATOM 945 CD ARG A 64 72.852 -6.195 1.659 1.00 0.00 C ATOM 946 NE ARG A 64 73.606 -5.549 0.585 1.00 0.00 N ATOM 947 CZ ARG A 64 73.314 -5.606 -0.712 1.00 0.00 C ATOM 948 NH1 ARG A 64 72.168 -6.145 -1.123 1.00 0.00 N ATOM 949 NH2 ARG A 64 74.180 -5.121 -1.594 1.00 0.00 N ATOM 0 H ARG A 64 71.195 -3.706 4.152 1.00 0.00 H new ATOM 0 HA ARG A 64 69.075 -5.374 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 64 71.907 -6.145 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 64 70.837 -7.069 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 64 70.945 -5.251 1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 64 72.058 -4.373 2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 64 73.533 -6.424 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 64 72.462 -7.145 1.293 1.00 0.00 H new ATOM 0 HE ARG A 64 74.428 -5.007 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 64 71.507 -6.518 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 64 71.951 -6.185 -2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 64 75.057 -4.711 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 64 73.968 -5.159 -2.591 1.00 0.00 H new ATOM 963 N ASN A 65 70.029 -5.627 6.426 1.00 0.00 N ATOM 964 CA ASN A 65 69.857 -6.288 7.704 1.00 0.00 C ATOM 965 C ASN A 65 68.513 -6.014 8.351 1.00 0.00 C ATOM 966 O ASN A 65 68.245 -6.504 9.447 1.00 0.00 O ATOM 967 CB ASN A 65 71.000 -5.954 8.674 1.00 0.00 C ATOM 968 CG ASN A 65 72.247 -6.798 8.447 1.00 0.00 C ATOM 969 OD1 ASN A 65 72.388 -7.870 9.017 1.00 0.00 O ATOM 970 ND2 ASN A 65 73.144 -6.345 7.616 1.00 0.00 N ATOM 0 H ASN A 65 70.530 -4.740 6.480 1.00 0.00 H new ATOM 0 HA ASN A 65 69.886 -7.355 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 65 71.259 -4.900 8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 65 70.653 -6.098 9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 65 73.987 -6.888 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 65 73.003 -5.447 7.153 1.00 0.00 H new ATOM 977 N VAL A 66 67.652 -5.263 7.692 1.00 0.00 N ATOM 978 CA VAL A 66 66.357 -4.993 8.272 1.00 0.00 C ATOM 979 C VAL A 66 65.410 -6.170 8.116 1.00 0.00 C ATOM 980 O VAL A 66 65.325 -6.810 7.056 1.00 0.00 O ATOM 981 CB VAL A 66 65.663 -3.713 7.737 1.00 0.00 C ATOM 982 CG1 VAL A 66 64.296 -3.509 8.436 1.00 0.00 C ATOM 983 CG2 VAL A 66 66.546 -2.503 7.961 1.00 0.00 C ATOM 0 H VAL A 66 67.821 -4.840 6.779 1.00 0.00 H new ATOM 0 HA VAL A 66 66.574 -4.823 9.327 1.00 0.00 H new ATOM 0 HB VAL A 66 65.495 -3.833 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 66 63.821 -2.607 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 66 63.655 -4.369 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 64.448 -3.408 9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 66 66.046 -1.612 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 66 66.737 -2.384 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 66 67.491 -2.640 7.436 1.00 0.00 H new ATOM 993 N GLU A 67 64.726 -6.407 9.195 1.00 0.00 N ATOM 994 CA GLU A 67 63.672 -7.362 9.380 1.00 0.00 C ATOM 995 C GLU A 67 62.670 -7.407 8.213 1.00 0.00 C ATOM 996 O GLU A 67 62.445 -8.458 7.605 1.00 0.00 O ATOM 997 CB GLU A 67 62.990 -6.922 10.658 1.00 0.00 C ATOM 998 CG GLU A 67 61.694 -7.554 10.975 1.00 0.00 C ATOM 999 CD GLU A 67 61.210 -7.134 12.332 1.00 0.00 C ATOM 1000 OE1 GLU A 67 60.962 -5.922 12.530 1.00 0.00 O ATOM 1001 OE2 GLU A 67 61.130 -7.986 13.246 1.00 0.00 O ATOM 0 H GLU A 67 64.910 -5.886 10.052 1.00 0.00 H new ATOM 0 HA GLU A 67 64.073 -8.375 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 67 63.671 -7.110 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.838 -5.844 10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 67 60.957 -7.279 10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.796 -8.639 10.941 1.00 0.00 H new ATOM 1008 N GLY A 68 62.090 -6.280 7.894 1.00 0.00 N ATOM 1009 CA GLY A 68 61.088 -6.247 6.868 1.00 0.00 C ATOM 1010 C GLY A 68 61.640 -6.373 5.452 1.00 0.00 C ATOM 1011 O GLY A 68 60.874 -6.537 4.508 1.00 0.00 O ATOM 0 H GLY A 68 62.294 -5.380 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 68 60.378 -7.056 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.533 -5.312 6.948 1.00 0.00 H new ATOM 1015 N VAL A 69 62.943 -6.346 5.302 1.00 0.00 N ATOM 1016 CA VAL A 69 63.542 -6.378 3.978 1.00 0.00 C ATOM 1017 C VAL A 69 63.778 -7.823 3.523 1.00 0.00 C ATOM 1018 O VAL A 69 64.047 -8.711 4.342 1.00 0.00 O ATOM 1019 CB VAL A 69 64.871 -5.545 3.922 1.00 0.00 C ATOM 1020 CG1 VAL A 69 65.507 -5.614 2.552 1.00 0.00 C ATOM 1021 CG2 VAL A 69 64.596 -4.096 4.292 1.00 0.00 C ATOM 0 H VAL A 69 63.610 -6.302 6.072 1.00 0.00 H new ATOM 0 HA VAL A 69 62.839 -5.913 3.287 1.00 0.00 H new ATOM 0 HB VAL A 69 65.567 -5.977 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 69 66.425 -5.027 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 69 65.738 -6.651 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 69 64.816 -5.214 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 69 65.525 -3.527 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 69 63.878 -3.671 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 69 64.187 -4.049 5.301 1.00 0.00 H new ATOM 1031 N LEU A 70 63.613 -8.058 2.234 1.00 0.00 N ATOM 1032 CA LEU A 70 63.851 -9.348 1.644 1.00 0.00 C ATOM 1033 C LEU A 70 65.130 -9.276 0.839 1.00 0.00 C ATOM 1034 O LEU A 70 66.100 -9.986 1.129 1.00 0.00 O ATOM 1035 CB LEU A 70 62.683 -9.761 0.730 1.00 0.00 C ATOM 1036 CG LEU A 70 61.323 -9.961 1.403 1.00 0.00 C ATOM 1037 CD1 LEU A 70 60.261 -10.234 0.368 1.00 0.00 C ATOM 1038 CD2 LEU A 70 61.383 -11.112 2.376 1.00 0.00 C ATOM 0 H LEU A 70 63.307 -7.348 1.568 1.00 0.00 H new ATOM 0 HA LEU A 70 63.938 -10.094 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.572 -9.002 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.955 -10.690 0.229 1.00 0.00 H new ATOM 0 HG LEU A 70 61.072 -9.048 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 70 59.299 -10.374 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 70 60.197 -9.390 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 70 60.518 -11.136 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 70 60.408 -11.242 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 70 61.654 -12.024 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 70 62.130 -10.903 3.141 1.00 0.00 H new ATOM 1050 N ALA A 71 65.145 -8.374 -0.124 1.00 0.00 N ATOM 1051 CA ALA A 71 66.268 -8.213 -1.012 1.00 0.00 C ATOM 1052 C ALA A 71 66.503 -6.746 -1.292 1.00 0.00 C ATOM 1053 O ALA A 71 65.566 -5.999 -1.553 1.00 0.00 O ATOM 1054 CB ALA A 71 65.994 -8.936 -2.317 1.00 0.00 C ATOM 0 H ALA A 71 64.373 -7.733 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 71 67.155 -8.634 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 71 66.845 -8.813 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 71 65.838 -9.997 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 71 65.102 -8.519 -2.784 1.00 0.00 H new ATOM 1060 N VAL A 72 67.728 -6.332 -1.205 1.00 0.00 N ATOM 1061 CA VAL A 72 68.092 -4.977 -1.539 1.00 0.00 C ATOM 1062 C VAL A 72 68.880 -4.990 -2.841 1.00 0.00 C ATOM 1063 O VAL A 72 70.026 -5.449 -2.884 1.00 0.00 O ATOM 1064 CB VAL A 72 68.961 -4.312 -0.427 1.00 0.00 C ATOM 1065 CG1 VAL A 72 69.328 -2.880 -0.799 1.00 0.00 C ATOM 1066 CG2 VAL A 72 68.254 -4.339 0.914 1.00 0.00 C ATOM 0 H VAL A 72 68.507 -6.916 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 72 67.175 -4.395 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 72 69.879 -4.893 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 72 69.934 -2.442 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 72 69.895 -2.880 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.419 -2.293 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.885 -3.868 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 72 67.312 -3.796 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.056 -5.372 1.200 1.00 0.00 H new ATOM 1076 N SER A 73 68.275 -4.505 -3.884 1.00 0.00 N ATOM 1077 CA SER A 73 68.930 -4.421 -5.156 1.00 0.00 C ATOM 1078 C SER A 73 69.596 -3.064 -5.297 1.00 0.00 C ATOM 1079 O SER A 73 68.952 -2.018 -5.106 1.00 0.00 O ATOM 1080 CB SER A 73 67.923 -4.599 -6.265 1.00 0.00 C ATOM 1081 OG SER A 73 67.238 -5.830 -6.158 1.00 0.00 O ATOM 0 H SER A 73 67.316 -4.157 -3.878 1.00 0.00 H new ATOM 0 HA SER A 73 69.682 -5.207 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 73 67.205 -3.780 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 73 68.430 -4.548 -7.228 1.00 0.00 H new ATOM 0 HG SER A 73 66.593 -5.910 -6.891 1.00 0.00 H new ATOM 1087 N LEU A 74 70.851 -3.071 -5.629 1.00 0.00 N ATOM 1088 CA LEU A 74 71.597 -1.862 -5.767 1.00 0.00 C ATOM 1089 C LEU A 74 71.495 -1.417 -7.227 1.00 0.00 C ATOM 1090 O LEU A 74 72.012 -2.078 -8.114 1.00 0.00 O ATOM 1091 CB LEU A 74 73.057 -2.124 -5.365 1.00 0.00 C ATOM 1092 CG LEU A 74 73.812 -0.983 -4.657 1.00 0.00 C ATOM 1093 CD1 LEU A 74 75.237 -1.395 -4.341 1.00 0.00 C ATOM 1094 CD2 LEU A 74 73.784 0.310 -5.452 1.00 0.00 C ATOM 0 H LEU A 74 71.387 -3.920 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 74 71.206 -1.075 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 74 73.075 -2.996 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 74 73.612 -2.388 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 74 73.291 -0.789 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 75.751 -0.574 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 74 75.227 -2.268 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 74 75.759 -1.640 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 74 74.330 1.082 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 74 74.251 0.150 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 74 72.751 0.628 -5.594 1.00 0.00 H new ATOM 1106 N VAL A 75 70.797 -0.325 -7.458 1.00 0.00 N ATOM 1107 CA VAL A 75 70.561 0.180 -8.807 1.00 0.00 C ATOM 1108 C VAL A 75 71.804 0.760 -9.415 1.00 0.00 C ATOM 1109 O VAL A 75 72.230 0.375 -10.508 1.00 0.00 O ATOM 1110 CB VAL A 75 69.413 1.215 -8.828 1.00 0.00 C ATOM 1111 CG1 VAL A 75 69.212 1.799 -10.222 1.00 0.00 C ATOM 1112 CG2 VAL A 75 68.128 0.569 -8.347 1.00 0.00 C ATOM 0 H VAL A 75 70.375 0.241 -6.722 1.00 0.00 H new ATOM 0 HA VAL A 75 70.263 -0.674 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 75 69.684 2.032 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 75 68.397 2.523 -10.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 70.128 2.294 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 75 68.967 0.998 -10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 75 67.323 1.304 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 75 67.873 -0.265 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 75 68.264 0.203 -7.329 1.00 0.00 H new ATOM 1122 N TYR A 76 72.391 1.651 -8.728 1.00 0.00 N ATOM 1123 CA TYR A 76 73.540 2.298 -9.250 1.00 0.00 C ATOM 1124 C TYR A 76 74.806 1.707 -8.683 1.00 0.00 C ATOM 1125 O TYR A 76 75.335 2.164 -7.669 1.00 0.00 O ATOM 1126 CB TYR A 76 73.443 3.806 -9.072 1.00 0.00 C ATOM 1127 CG TYR A 76 74.642 4.575 -9.622 1.00 0.00 C ATOM 1128 CD1 TYR A 76 74.960 4.537 -10.974 1.00 0.00 C ATOM 1129 CD2 TYR A 76 75.454 5.329 -8.781 1.00 0.00 C ATOM 1130 CE1 TYR A 76 76.056 5.217 -11.468 1.00 0.00 C ATOM 1131 CE2 TYR A 76 76.548 6.016 -9.271 1.00 0.00 C ATOM 1132 CZ TYR A 76 76.843 5.956 -10.615 1.00 0.00 C ATOM 1133 OH TYR A 76 77.937 6.629 -11.105 1.00 0.00 O ATOM 0 H TYR A 76 72.102 1.957 -7.799 1.00 0.00 H new ATOM 0 HA TYR A 76 73.583 2.120 -10.324 1.00 0.00 H new ATOM 0 HB2 TYR A 76 72.539 4.162 -9.565 1.00 0.00 H new ATOM 0 HB3 TYR A 76 73.337 4.030 -8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 76 74.340 3.966 -11.650 1.00 0.00 H new ATOM 0 HD2 TYR A 76 75.225 5.378 -7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 76 76.294 5.169 -12.520 1.00 0.00 H new ATOM 0 HE2 TYR A 76 77.168 6.597 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 76 78.384 7.103 -10.373 1.00 0.00 H new ATOM 1143 N HIS A 77 75.232 0.638 -9.297 1.00 0.00 N ATOM 1144 CA HIS A 77 76.434 -0.045 -8.917 1.00 0.00 C ATOM 1145 C HIS A 77 77.247 -0.300 -10.167 1.00 0.00 C ATOM 1146 O HIS A 77 76.872 -1.124 -11.005 1.00 0.00 O ATOM 1147 CB HIS A 77 76.107 -1.372 -8.198 1.00 0.00 C ATOM 1148 CG HIS A 77 77.312 -2.109 -7.677 1.00 0.00 C ATOM 1149 ND1 HIS A 77 77.706 -3.347 -8.119 1.00 0.00 N ATOM 1150 CD2 HIS A 77 78.203 -1.756 -6.717 1.00 0.00 C ATOM 1151 CE1 HIS A 77 78.797 -3.705 -7.437 1.00 0.00 C ATOM 1152 NE2 HIS A 77 79.142 -2.771 -6.569 1.00 0.00 N ATOM 0 H HIS A 77 74.746 0.212 -10.086 1.00 0.00 H new ATOM 0 HA HIS A 77 77.005 0.569 -8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 77 75.435 -1.164 -7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 77 75.569 -2.022 -8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 77 78.186 -0.833 -6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 77 79.327 -4.635 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 77 79.932 -2.790 -5.925 1.00 0.00 H new ATOM 1160 N GLN A 78 78.305 0.446 -10.320 1.00 0.00 N ATOM 1161 CA GLN A 78 79.171 0.313 -11.464 1.00 0.00 C ATOM 1162 C GLN A 78 80.559 0.033 -10.942 1.00 0.00 C ATOM 1163 O GLN A 78 81.159 0.900 -10.306 1.00 0.00 O ATOM 1164 CB GLN A 78 79.208 1.620 -12.285 1.00 0.00 C ATOM 1165 CG GLN A 78 77.842 2.213 -12.639 1.00 0.00 C ATOM 1166 CD GLN A 78 76.962 1.340 -13.529 1.00 0.00 C ATOM 1167 OE1 GLN A 78 75.741 1.392 -13.429 1.00 0.00 O ATOM 1168 NE2 GLN A 78 77.550 0.555 -14.400 1.00 0.00 N ATOM 0 H GLN A 78 78.594 1.165 -9.656 1.00 0.00 H new ATOM 0 HA GLN A 78 78.807 -0.487 -12.109 1.00 0.00 H new ATOM 0 HB2 GLN A 78 79.774 2.365 -11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 78 79.754 1.433 -13.209 1.00 0.00 H new ATOM 0 HG2 GLN A 78 77.303 2.419 -11.714 1.00 0.00 H new ATOM 0 HG3 GLN A 78 77.998 3.170 -13.137 1.00 0.00 H new ATOM 0 HE21 GLN A 78 78.568 0.533 -14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 78 76.989 -0.033 -15.017 1.00 0.00 H new ATOM 1177 N GLN A 79 81.048 -1.163 -11.138 1.00 0.00 N ATOM 1178 CA GLN A 79 82.385 -1.474 -10.687 1.00 0.00 C ATOM 1179 C GLN A 79 83.376 -1.174 -11.798 1.00 0.00 C ATOM 1180 O GLN A 79 84.171 -0.240 -11.685 1.00 0.00 O ATOM 1181 CB GLN A 79 82.497 -2.920 -10.206 1.00 0.00 C ATOM 1182 CG GLN A 79 83.889 -3.293 -9.730 1.00 0.00 C ATOM 1183 CD GLN A 79 83.983 -4.714 -9.241 1.00 0.00 C ATOM 1184 OE1 GLN A 79 83.025 -5.273 -8.702 1.00 0.00 O ATOM 1185 NE2 GLN A 79 85.111 -5.316 -9.447 1.00 0.00 N ATOM 0 H GLN A 79 80.554 -1.928 -11.598 1.00 0.00 H new ATOM 0 HA GLN A 79 82.620 -0.845 -9.828 1.00 0.00 H new ATOM 0 HB2 GLN A 79 81.789 -3.080 -9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 79 82.208 -3.588 -11.017 1.00 0.00 H new ATOM 0 HG2 GLN A 79 84.597 -3.148 -10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 79 84.185 -2.618 -8.927 1.00 0.00 H new ATOM 0 HE21 GLN A 79 85.880 -4.819 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 79 85.230 -6.287 -9.160 1.00 0.00 H new ATOM 1194 N GLU A 80 83.302 -1.946 -12.871 1.00 0.00 N ATOM 1195 CA GLU A 80 84.141 -1.744 -14.024 1.00 0.00 C ATOM 1196 C GLU A 80 83.578 -2.537 -15.198 1.00 0.00 C ATOM 1197 O GLU A 80 83.155 -3.694 -15.042 1.00 0.00 O ATOM 1198 CB GLU A 80 85.614 -2.094 -13.729 1.00 0.00 C ATOM 1199 CG GLU A 80 86.567 -1.734 -14.860 1.00 0.00 C ATOM 1200 CD GLU A 80 86.354 -0.324 -15.364 1.00 0.00 C ATOM 1201 OE1 GLU A 80 86.846 0.638 -14.742 1.00 0.00 O ATOM 1202 OE2 GLU A 80 85.655 -0.156 -16.386 1.00 0.00 O ATOM 0 H GLU A 80 82.655 -2.729 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 80 84.137 -0.687 -14.288 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.927 -1.575 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.691 -3.162 -13.527 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.595 -1.842 -14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 80 86.432 -2.436 -15.683 1.00 0.00 H new ATOM 1209 N GLU A 81 83.597 -1.924 -16.353 1.00 0.00 N ATOM 1210 CA GLU A 81 82.955 -2.450 -17.533 1.00 0.00 C ATOM 1211 C GLU A 81 83.826 -3.464 -18.261 1.00 0.00 C ATOM 1212 O GLU A 81 83.330 -4.479 -18.754 1.00 0.00 O ATOM 1213 CB GLU A 81 82.552 -1.300 -18.446 1.00 0.00 C ATOM 1214 CG GLU A 81 81.600 -0.321 -17.767 1.00 0.00 C ATOM 1215 CD GLU A 81 81.232 0.841 -18.634 1.00 0.00 C ATOM 1216 OE1 GLU A 81 80.347 0.688 -19.509 1.00 0.00 O ATOM 1217 OE2 GLU A 81 81.802 1.939 -18.450 1.00 0.00 O ATOM 0 H GLU A 81 84.066 -1.031 -16.504 1.00 0.00 H new ATOM 0 HA GLU A 81 82.060 -2.990 -17.224 1.00 0.00 H new ATOM 0 HB2 GLU A 81 83.446 -0.767 -18.770 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.078 -1.701 -19.342 1.00 0.00 H new ATOM 0 HG2 GLU A 81 80.693 -0.850 -17.475 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.062 0.049 -16.852 1.00 0.00 H new ATOM 1224 N GLN A 82 85.107 -3.208 -18.306 1.00 0.00 N ATOM 1225 CA GLN A 82 86.035 -4.113 -18.965 1.00 0.00 C ATOM 1226 C GLN A 82 87.137 -4.521 -18.007 1.00 0.00 C ATOM 1227 O GLN A 82 87.169 -4.061 -16.867 1.00 0.00 O ATOM 1228 CB GLN A 82 86.627 -3.514 -20.261 1.00 0.00 C ATOM 1229 CG GLN A 82 87.411 -2.208 -20.090 1.00 0.00 C ATOM 1230 CD GLN A 82 88.106 -1.753 -21.381 1.00 0.00 C ATOM 1231 OE1 GLN A 82 88.267 -0.552 -21.630 1.00 0.00 O ATOM 1232 NE2 GLN A 82 88.555 -2.692 -22.190 1.00 0.00 N ATOM 0 H GLN A 82 85.540 -2.381 -17.896 1.00 0.00 H new ATOM 0 HA GLN A 82 85.471 -4.998 -19.260 1.00 0.00 H new ATOM 0 HB2 GLN A 82 87.285 -4.255 -20.715 1.00 0.00 H new ATOM 0 HB3 GLN A 82 85.812 -3.338 -20.964 1.00 0.00 H new ATOM 0 HG2 GLN A 82 86.732 -1.424 -19.754 1.00 0.00 H new ATOM 0 HG3 GLN A 82 88.159 -2.339 -19.308 1.00 0.00 H new ATOM 0 HE21 GLN A 82 88.409 -3.675 -21.961 1.00 0.00 H new ATOM 0 HE22 GLN A 82 89.049 -2.435 -23.045 1.00 0.00 H new ATOM 1241 N GLY A 83 88.026 -5.377 -18.458 1.00 0.00 N ATOM 1242 CA GLY A 83 89.106 -5.838 -17.621 1.00 0.00 C ATOM 1243 C GLY A 83 88.873 -7.253 -17.180 1.00 0.00 C ATOM 1244 O GLY A 83 89.583 -8.176 -17.602 1.00 0.00 O ATOM 0 H GLY A 83 88.021 -5.767 -19.400 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.048 -5.773 -18.166 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.197 -5.191 -16.749 1.00 0.00 H new ATOM 1248 N GLU A 84 87.889 -7.444 -16.337 1.00 0.00 N ATOM 1249 CA GLU A 84 87.541 -8.769 -15.896 1.00 0.00 C ATOM 1250 C GLU A 84 86.624 -9.394 -16.931 1.00 0.00 C ATOM 1251 O GLU A 84 86.954 -10.414 -17.542 1.00 0.00 O ATOM 1252 CB GLU A 84 86.877 -8.735 -14.525 1.00 0.00 C ATOM 1253 CG GLU A 84 86.612 -10.104 -13.945 1.00 0.00 C ATOM 1254 CD GLU A 84 85.922 -10.041 -12.623 1.00 0.00 C ATOM 1255 OE1 GLU A 84 86.600 -9.869 -11.581 1.00 0.00 O ATOM 1256 OE2 GLU A 84 84.697 -10.179 -12.582 1.00 0.00 O ATOM 0 H GLU A 84 87.316 -6.698 -15.943 1.00 0.00 H new ATOM 0 HA GLU A 84 88.445 -9.370 -15.796 1.00 0.00 H new ATOM 0 HB2 GLU A 84 87.511 -8.175 -13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.934 -8.194 -14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 84 86.002 -10.679 -14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.556 -10.637 -13.833 1.00 0.00 H new ATOM 1263 N GLU A 85 85.509 -8.762 -17.156 1.00 0.00 N ATOM 1264 CA GLU A 85 84.589 -9.196 -18.158 1.00 0.00 C ATOM 1265 C GLU A 85 84.884 -8.466 -19.450 1.00 0.00 C ATOM 1266 O GLU A 85 85.452 -7.368 -19.437 1.00 0.00 O ATOM 1267 CB GLU A 85 83.151 -8.939 -17.718 1.00 0.00 C ATOM 1268 CG GLU A 85 82.692 -9.813 -16.562 1.00 0.00 C ATOM 1269 CD GLU A 85 82.707 -11.278 -16.923 1.00 0.00 C ATOM 1270 OE1 GLU A 85 81.902 -11.694 -17.789 1.00 0.00 O ATOM 1271 OE2 GLU A 85 83.503 -12.042 -16.344 1.00 0.00 O ATOM 0 H GLU A 85 85.214 -7.929 -16.646 1.00 0.00 H new ATOM 0 HA GLU A 85 84.705 -10.269 -18.311 1.00 0.00 H new ATOM 0 HB2 GLU A 85 83.052 -7.892 -17.430 1.00 0.00 H new ATOM 0 HB3 GLU A 85 82.488 -9.100 -18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 85 83.339 -9.645 -15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 85 81.684 -9.523 -16.265 1.00 0.00 H new ATOM 1278 N THR A 86 84.580 -9.079 -20.549 1.00 0.00 N ATOM 1279 CA THR A 86 84.750 -8.461 -21.839 1.00 0.00 C ATOM 1280 C THR A 86 83.682 -8.991 -22.787 1.00 0.00 C ATOM 1281 O THR A 86 83.885 -9.986 -23.479 1.00 0.00 O ATOM 1282 CB THR A 86 86.179 -8.690 -22.417 1.00 0.00 C ATOM 1283 OG1 THR A 86 87.142 -8.201 -21.463 1.00 0.00 O ATOM 1284 CG2 THR A 86 86.365 -7.938 -23.734 1.00 0.00 C ATOM 0 H THR A 86 84.205 -10.027 -20.585 1.00 0.00 H new ATOM 0 HA THR A 86 84.636 -7.383 -21.725 1.00 0.00 H new ATOM 0 HB THR A 86 86.317 -9.755 -22.603 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.047 -8.340 -21.812 1.00 0.00 H new ATOM 0 HG21 THR A 86 87.371 -8.115 -24.115 1.00 0.00 H new ATOM 0 HG22 THR A 86 85.634 -8.291 -24.461 1.00 0.00 H new ATOM 0 HG23 THR A 86 86.223 -6.870 -23.566 1.00 0.00 H new ATOM 1292 N PRO A 87 82.480 -8.394 -22.744 1.00 0.00 N ATOM 1293 CA PRO A 87 81.378 -8.805 -23.604 1.00 0.00 C ATOM 1294 C PRO A 87 81.595 -8.354 -25.037 1.00 0.00 C ATOM 1295 O PRO A 87 81.391 -9.113 -25.993 1.00 0.00 O ATOM 1296 CB PRO A 87 80.162 -8.069 -23.010 1.00 0.00 C ATOM 1297 CG PRO A 87 80.614 -7.537 -21.686 1.00 0.00 C ATOM 1298 CD PRO A 87 82.081 -7.311 -21.824 1.00 0.00 C ATOM 0 HA PRO A 87 81.265 -9.889 -23.637 1.00 0.00 H new ATOM 0 HB2 PRO A 87 79.836 -7.261 -23.665 1.00 0.00 H new ATOM 0 HB3 PRO A 87 79.315 -8.745 -22.891 1.00 0.00 H new ATOM 0 HG2 PRO A 87 80.096 -6.610 -21.439 1.00 0.00 H new ATOM 0 HG3 PRO A 87 80.400 -8.245 -20.885 1.00 0.00 H new ATOM 0 HD2 PRO A 87 82.304 -6.326 -22.234 1.00 0.00 H new ATOM 0 HD3 PRO A 87 82.595 -7.381 -20.866 1.00 0.00 H new ATOM 1306 N ARG A 88 82.032 -7.131 -25.178 1.00 0.00 N ATOM 1307 CA ARG A 88 82.201 -6.517 -26.456 1.00 0.00 C ATOM 1308 C ARG A 88 83.270 -5.457 -26.368 1.00 0.00 C ATOM 1309 O ARG A 88 83.396 -4.790 -25.338 1.00 0.00 O ATOM 1310 CB ARG A 88 80.859 -5.927 -26.933 1.00 0.00 C ATOM 1311 CG ARG A 88 80.223 -4.947 -25.954 1.00 0.00 C ATOM 1312 CD ARG A 88 78.839 -4.519 -26.408 1.00 0.00 C ATOM 1313 NE ARG A 88 78.225 -3.572 -25.472 1.00 0.00 N ATOM 1314 CZ ARG A 88 77.141 -2.820 -25.725 1.00 0.00 C ATOM 1315 NH1 ARG A 88 76.460 -2.977 -26.863 1.00 0.00 N ATOM 1316 NH2 ARG A 88 76.718 -1.941 -24.816 1.00 0.00 N ATOM 0 H ARG A 88 82.283 -6.530 -24.393 1.00 0.00 H new ATOM 0 HA ARG A 88 82.519 -7.261 -27.187 1.00 0.00 H new ATOM 0 HB2 ARG A 88 81.016 -5.421 -27.886 1.00 0.00 H new ATOM 0 HB3 ARG A 88 80.161 -6.744 -27.117 1.00 0.00 H new ATOM 0 HG2 ARG A 88 80.156 -5.408 -24.969 1.00 0.00 H new ATOM 0 HG3 ARG A 88 80.861 -4.069 -25.852 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.906 -4.062 -27.395 1.00 0.00 H new ATOM 0 HD3 ARG A 88 78.201 -5.398 -26.506 1.00 0.00 H new ATOM 0 HE ARG A 88 78.657 -3.476 -24.553 1.00 0.00 H new ATOM 0 HH11 ARG A 88 76.762 -3.671 -27.546 1.00 0.00 H new ATOM 0 HH12 ARG A 88 75.638 -2.403 -27.049 1.00 0.00 H new ATOM 0 HH21 ARG A 88 77.217 -1.841 -23.932 1.00 0.00 H new ATOM 0 HH22 ARG A 88 75.895 -1.368 -25.005 1.00 0.00 H new ATOM 1330 N SER A 89 84.048 -5.325 -27.405 1.00 0.00 N ATOM 1331 CA SER A 89 85.077 -4.335 -27.439 1.00 0.00 C ATOM 1332 C SER A 89 84.728 -3.297 -28.496 1.00 0.00 C ATOM 1333 O SER A 89 85.050 -3.454 -29.681 1.00 0.00 O ATOM 1334 CB SER A 89 86.433 -4.977 -27.722 1.00 0.00 C ATOM 1335 OG SER A 89 86.664 -6.068 -26.833 1.00 0.00 O ATOM 0 H SER A 89 83.984 -5.900 -28.245 1.00 0.00 H new ATOM 0 HA SER A 89 85.147 -3.845 -26.468 1.00 0.00 H new ATOM 0 HB2 SER A 89 86.468 -5.327 -28.754 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.224 -4.235 -27.610 1.00 0.00 H new ATOM 0 HG SER A 89 87.536 -6.470 -27.028 1.00 0.00 H new ATOM 1341 N HIS A 90 83.986 -2.301 -28.086 1.00 0.00 N ATOM 1342 CA HIS A 90 83.580 -1.244 -28.976 1.00 0.00 C ATOM 1343 C HIS A 90 84.488 -0.067 -28.799 1.00 0.00 C ATOM 1344 O HIS A 90 84.206 0.841 -28.018 1.00 0.00 O ATOM 1345 CB HIS A 90 82.115 -0.821 -28.745 1.00 0.00 C ATOM 1346 CG HIS A 90 81.076 -1.847 -29.109 1.00 0.00 C ATOM 1347 ND1 HIS A 90 79.730 -1.649 -28.943 1.00 0.00 N ATOM 1348 CD2 HIS A 90 81.201 -3.074 -29.673 1.00 0.00 C ATOM 1349 CE1 HIS A 90 79.087 -2.718 -29.401 1.00 0.00 C ATOM 1350 NE2 HIS A 90 79.935 -3.620 -29.856 1.00 0.00 N ATOM 0 H HIS A 90 83.647 -2.200 -27.129 1.00 0.00 H new ATOM 0 HA HIS A 90 83.651 -1.620 -29.997 1.00 0.00 H new ATOM 0 HB2 HIS A 90 81.992 -0.563 -27.693 1.00 0.00 H new ATOM 0 HB3 HIS A 90 81.922 0.085 -29.320 1.00 0.00 H new ATOM 0 HD2 HIS A 90 82.133 -3.550 -29.937 1.00 0.00 H new ATOM 0 HE1 HIS A 90 78.013 -2.833 -29.401 1.00 0.00 H new ATOM 0 HE2 HIS A 90 79.709 -4.530 -30.259 1.00 0.00 H new ATOM 1358 N HIS A 91 85.589 -0.089 -29.478 1.00 0.00 N ATOM 1359 CA HIS A 91 86.549 0.960 -29.348 1.00 0.00 C ATOM 1360 C HIS A 91 86.530 1.878 -30.547 1.00 0.00 C ATOM 1361 O HIS A 91 87.345 1.773 -31.472 1.00 0.00 O ATOM 1362 CB HIS A 91 87.979 0.461 -28.986 1.00 0.00 C ATOM 1363 CG HIS A 91 88.602 -0.520 -29.950 1.00 0.00 C ATOM 1364 ND1 HIS A 91 89.604 -0.196 -30.842 1.00 0.00 N ATOM 1365 CD2 HIS A 91 88.360 -1.838 -30.130 1.00 0.00 C ATOM 1366 CE1 HIS A 91 89.930 -1.295 -31.519 1.00 0.00 C ATOM 1367 NE2 HIS A 91 89.203 -2.328 -31.124 1.00 0.00 N ATOM 0 H HIS A 91 85.847 -0.827 -30.133 1.00 0.00 H new ATOM 0 HA HIS A 91 86.241 1.551 -28.486 1.00 0.00 H new ATOM 0 HB2 HIS A 91 88.635 1.328 -28.906 1.00 0.00 H new ATOM 0 HB3 HIS A 91 87.942 -0.003 -28.000 1.00 0.00 H new ATOM 0 HD1 HIS A 91 90.023 0.726 -30.962 1.00 0.00 H new ATOM 0 HD2 HIS A 91 87.628 -2.419 -29.588 1.00 0.00 H new ATOM 0 HE1 HIS A 91 90.687 -1.338 -32.288 1.00 0.00 H new ATOM 1375 N HIS A 92 85.532 2.716 -30.579 1.00 0.00 N ATOM 1376 CA HIS A 92 85.456 3.734 -31.587 1.00 0.00 C ATOM 1377 C HIS A 92 86.501 4.773 -31.248 1.00 0.00 C ATOM 1378 O HIS A 92 86.561 5.248 -30.113 1.00 0.00 O ATOM 1379 CB HIS A 92 84.019 4.330 -31.715 1.00 0.00 C ATOM 1380 CG HIS A 92 83.383 4.818 -30.429 1.00 0.00 C ATOM 1381 ND1 HIS A 92 82.516 4.059 -29.662 1.00 0.00 N ATOM 1382 CD2 HIS A 92 83.482 6.016 -29.797 1.00 0.00 C ATOM 1383 CE1 HIS A 92 82.131 4.792 -28.619 1.00 0.00 C ATOM 1384 NE2 HIS A 92 82.687 5.996 -28.653 1.00 0.00 N ATOM 0 H HIS A 92 84.757 2.713 -29.915 1.00 0.00 H new ATOM 0 HA HIS A 92 85.662 3.315 -32.572 1.00 0.00 H new ATOM 0 HB2 HIS A 92 84.054 5.162 -32.418 1.00 0.00 H new ATOM 0 HB3 HIS A 92 83.370 3.571 -32.152 1.00 0.00 H new ATOM 0 HD2 HIS A 92 84.081 6.851 -30.128 1.00 0.00 H new ATOM 0 HE1 HIS A 92 81.456 4.452 -27.848 1.00 0.00 H new ATOM 0 HE2 HIS A 92 82.559 6.752 -27.980 1.00 0.00 H new ATOM 1392 N HIS A 93 87.365 5.060 -32.177 1.00 0.00 N ATOM 1393 CA HIS A 93 88.469 5.952 -31.917 1.00 0.00 C ATOM 1394 C HIS A 93 88.037 7.389 -31.931 1.00 0.00 C ATOM 1395 O HIS A 93 87.917 8.009 -33.010 1.00 0.00 O ATOM 1396 CB HIS A 93 89.636 5.705 -32.876 1.00 0.00 C ATOM 1397 CG HIS A 93 90.214 4.326 -32.753 1.00 0.00 C ATOM 1398 ND1 HIS A 93 90.356 3.450 -33.801 1.00 0.00 N ATOM 1399 CD2 HIS A 93 90.682 3.682 -31.661 1.00 0.00 C ATOM 1400 CE1 HIS A 93 90.887 2.321 -33.326 1.00 0.00 C ATOM 1401 NE2 HIS A 93 91.108 2.409 -32.020 1.00 0.00 N ATOM 0 H HIS A 93 87.331 4.690 -33.127 1.00 0.00 H new ATOM 0 HA HIS A 93 88.827 5.733 -30.911 1.00 0.00 H new ATOM 0 HB2 HIS A 93 89.297 5.861 -33.900 1.00 0.00 H new ATOM 0 HB3 HIS A 93 90.418 6.439 -32.684 1.00 0.00 H new ATOM 0 HD1 HIS A 93 90.101 3.630 -34.772 1.00 0.00 H new ATOM 0 HD2 HIS A 93 90.719 4.093 -30.663 1.00 0.00 H new ATOM 0 HE1 HIS A 93 91.108 1.450 -33.926 1.00 0.00 H new ATOM 1409 N HIS A 94 87.759 7.890 -30.728 1.00 0.00 N ATOM 1410 CA HIS A 94 87.311 9.258 -30.440 1.00 0.00 C ATOM 1411 C HIS A 94 85.888 9.478 -30.957 1.00 0.00 C ATOM 1412 O HIS A 94 84.934 9.540 -30.178 1.00 0.00 O ATOM 1413 CB HIS A 94 88.291 10.313 -31.011 1.00 0.00 C ATOM 1414 CG HIS A 94 89.710 10.134 -30.547 1.00 0.00 C ATOM 1415 ND1 HIS A 94 90.759 9.817 -31.383 1.00 0.00 N ATOM 1416 CD2 HIS A 94 90.235 10.222 -29.309 1.00 0.00 C ATOM 1417 CE1 HIS A 94 91.862 9.717 -30.648 1.00 0.00 C ATOM 1418 NE2 HIS A 94 91.603 9.955 -29.371 1.00 0.00 N ATOM 0 H HIS A 94 87.844 7.326 -29.882 1.00 0.00 H new ATOM 0 HA HIS A 94 87.302 9.386 -29.358 1.00 0.00 H new ATOM 0 HB2 HIS A 94 88.266 10.268 -32.100 1.00 0.00 H new ATOM 0 HB3 HIS A 94 87.947 11.307 -30.725 1.00 0.00 H new ATOM 0 HD2 HIS A 94 89.684 10.461 -28.411 1.00 0.00 H new ATOM 0 HE1 HIS A 94 92.839 9.474 -31.040 1.00 0.00 H new ATOM 0 HE2 HIS A 94 92.265 9.945 -28.595 1.00 0.00 H new ATOM 1426 N HIS A 95 85.779 9.554 -32.264 1.00 0.00 N ATOM 1427 CA HIS A 95 84.559 9.707 -33.025 1.00 0.00 C ATOM 1428 C HIS A 95 85.009 10.021 -34.427 1.00 0.00 C ATOM 1429 O HIS A 95 85.263 11.198 -34.723 1.00 0.00 O ATOM 1430 CB HIS A 95 83.648 10.843 -32.496 1.00 0.00 C ATOM 1431 CG HIS A 95 82.283 10.865 -33.123 1.00 0.00 C ATOM 1432 ND1 HIS A 95 81.812 11.876 -33.929 1.00 0.00 N ATOM 1433 CD2 HIS A 95 81.274 9.972 -33.023 1.00 0.00 C ATOM 1434 CE1 HIS A 95 80.562 11.580 -34.282 1.00 0.00 C ATOM 1435 NE2 HIS A 95 80.185 10.426 -33.759 1.00 0.00 N ATOM 1436 OXT HIS A 95 85.236 9.081 -35.204 1.00 0.00 O ATOM 0 H HIS A 95 86.600 9.507 -32.867 1.00 0.00 H new ATOM 0 HA HIS A 95 83.958 8.801 -32.956 1.00 0.00 H new ATOM 0 HB2 HIS A 95 83.540 10.737 -31.416 1.00 0.00 H new ATOM 0 HB3 HIS A 95 84.136 11.801 -32.675 1.00 0.00 H new ATOM 0 HD2 HIS A 95 81.308 9.051 -32.460 1.00 0.00 H new ATOM 0 HE1 HIS A 95 79.940 12.200 -34.911 1.00 0.00 H new ATOM 0 HE2 HIS A 95 79.283 9.964 -33.872 1.00 0.00 H new TER 1444 HIS A 95