USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 984 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 111 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.98) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 THR OG1 : rot 43:sc= -0.21 USER MOD Set 2.2: A 91 ASN : amide:sc= -3.17! C(o=-3.4!,f=-7.7!) USER MOD Set 3.1: A 42 THR OG1 : rot -92:sc= 1.41 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.205 K(o=1.6,f=-3.8) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0295 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 0.178 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.191 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.295 K(o=-0.29,f=-3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.91) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00278 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.15) USER MOD Single : A 24 ASN : amide:sc=-0.00443 K(o=-0.0044,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0844 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 28 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 43 GLN : amide:sc=-0.000805 K(o=-0.00081,f=-0.87) USER MOD Single : A 48 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -21:sc= 0.444 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.62 K(o=-2.6,f=-5.2!) USER MOD Single : A 69 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.45) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.324 (180deg=-1.09) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.182 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -1.29 (180deg=-2.33) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HE2:sc= 0.00271 K(o=0.0027,f=-2.2!) USER MOD Single : A 100 SER OG : rot -43:sc= 0.919 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -133:sc= 0.77 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.011) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 118 GLN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 119 SER OG : rot 180:sc=0.000217 USER MOD Single : A 120 SER OG : rot 11:sc= 0.838 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 166:sc= -0.0321 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 0.00 C ATOM 3 C GLY A 1 3.450 -0.614 -1.103 1.00 0.00 C ATOM 4 O GLY A 1 3.657 -1.501 -0.275 1.00 0.00 O ATOM 0 H1 GLY A 1 0.320 -0.153 -0.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.683 -0.763 0.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.455 0.915 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.508 -0.549 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.169 1.025 -1.607 1.00 0.00 H new ATOM 8 N SER A 2 4.394 -0.143 -1.912 1.00 0.00 N ATOM 9 CA SER A 2 5.758 -0.656 -1.874 1.00 0.00 C ATOM 10 C SER A 2 6.732 0.346 -2.485 1.00 0.00 C ATOM 11 O SER A 2 6.920 0.384 -3.701 1.00 0.00 O ATOM 12 CB SER A 2 5.845 -1.989 -2.620 1.00 0.00 C ATOM 13 OG SER A 2 5.194 -1.913 -3.877 1.00 0.00 O ATOM 0 H SER A 2 4.239 0.593 -2.601 1.00 0.00 H new ATOM 0 HA SER A 2 6.032 -0.813 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.891 -2.261 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.391 -2.776 -2.019 1.00 0.00 H new ATOM 0 HG SER A 2 5.529 -1.137 -4.372 1.00 0.00 H new ATOM 19 N SER A 3 7.350 1.157 -1.631 1.00 0.00 N ATOM 20 CA SER A 3 8.302 2.163 -2.086 1.00 0.00 C ATOM 21 C SER A 3 9.348 2.446 -1.011 1.00 0.00 C ATOM 22 O SER A 3 9.099 2.257 0.179 1.00 0.00 O ATOM 23 CB SER A 3 7.573 3.456 -2.456 1.00 0.00 C ATOM 24 OG SER A 3 7.677 3.721 -3.844 1.00 0.00 O ATOM 0 H SER A 3 7.208 1.137 -0.621 1.00 0.00 H new ATOM 0 HA SER A 3 8.809 1.775 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.523 3.378 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.993 4.288 -1.891 1.00 0.00 H new ATOM 0 HG SER A 3 7.202 4.552 -4.055 1.00 0.00 H new ATOM 30 N GLY A 4 10.522 2.900 -1.441 1.00 0.00 N ATOM 31 CA GLY A 4 11.589 3.201 -0.505 1.00 0.00 C ATOM 32 C GLY A 4 12.473 4.337 -0.980 1.00 0.00 C ATOM 33 O GLY A 4 12.017 5.232 -1.691 1.00 0.00 O ATOM 0 H GLY A 4 10.753 3.064 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.158 3.460 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.198 2.310 -0.354 1.00 0.00 H new ATOM 37 N SER A 5 13.742 4.302 -0.585 1.00 0.00 N ATOM 38 CA SER A 5 14.691 5.340 -0.970 1.00 0.00 C ATOM 39 C SER A 5 16.105 4.774 -1.065 1.00 0.00 C ATOM 40 O SER A 5 16.830 4.715 -0.073 1.00 0.00 O ATOM 41 CB SER A 5 14.657 6.491 0.038 1.00 0.00 C ATOM 42 OG SER A 5 13.642 7.425 -0.289 1.00 0.00 O ATOM 0 H SER A 5 14.136 3.566 0.001 1.00 0.00 H new ATOM 0 HA SER A 5 14.402 5.717 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.484 6.097 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.625 6.992 0.056 1.00 0.00 H new ATOM 0 HG SER A 5 12.928 6.972 -0.785 1.00 0.00 H new ATOM 48 N SER A 6 16.489 4.359 -2.268 1.00 0.00 N ATOM 49 CA SER A 6 17.814 3.795 -2.495 1.00 0.00 C ATOM 50 C SER A 6 18.741 4.824 -3.136 1.00 0.00 C ATOM 51 O SER A 6 18.616 5.136 -4.319 1.00 0.00 O ATOM 52 CB SER A 6 17.718 2.554 -3.385 1.00 0.00 C ATOM 53 OG SER A 6 17.650 1.372 -2.606 1.00 0.00 O ATOM 0 H SER A 6 15.901 4.403 -3.100 1.00 0.00 H new ATOM 0 HA SER A 6 18.230 3.509 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.835 2.626 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.584 2.509 -4.046 1.00 0.00 H new ATOM 0 HG SER A 6 17.588 0.593 -3.198 1.00 0.00 H new ATOM 59 N GLY A 7 19.672 5.347 -2.343 1.00 0.00 N ATOM 60 CA GLY A 7 20.606 6.335 -2.850 1.00 0.00 C ATOM 61 C GLY A 7 21.510 6.887 -1.765 1.00 0.00 C ATOM 62 O GLY A 7 21.048 7.566 -0.849 1.00 0.00 O ATOM 0 H GLY A 7 19.796 5.104 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.216 5.886 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.051 7.154 -3.308 1.00 0.00 H new ATOM 66 N MET A 8 22.802 6.594 -1.869 1.00 0.00 N ATOM 67 CA MET A 8 23.773 7.066 -0.888 1.00 0.00 C ATOM 68 C MET A 8 24.420 8.369 -1.347 1.00 0.00 C ATOM 69 O MET A 8 24.374 8.714 -2.526 1.00 0.00 O ATOM 70 CB MET A 8 24.849 6.004 -0.652 1.00 0.00 C ATOM 71 CG MET A 8 25.682 6.250 0.596 1.00 0.00 C ATOM 72 SD MET A 8 26.489 4.754 1.198 1.00 0.00 S ATOM 73 CE MET A 8 27.916 4.681 0.118 1.00 0.00 C ATOM 0 H MET A 8 23.201 6.033 -2.622 1.00 0.00 H new ATOM 0 HA MET A 8 23.246 7.253 0.048 1.00 0.00 H new ATOM 0 HB2 MET A 8 24.373 5.027 -0.574 1.00 0.00 H new ATOM 0 HB3 MET A 8 25.509 5.969 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 8 26.438 7.005 0.380 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.043 6.654 1.381 1.00 0.00 H new ATOM 0 HE1 MET A 8 28.517 3.806 0.367 1.00 0.00 H new ATOM 0 HE2 MET A 8 27.585 4.611 -0.918 1.00 0.00 H new ATOM 0 HE3 MET A 8 28.516 5.582 0.247 1.00 0.00 H new ATOM 83 N ASN A 9 25.023 9.089 -0.406 1.00 0.00 N ATOM 84 CA ASN A 9 25.678 10.355 -0.714 1.00 0.00 C ATOM 85 C ASN A 9 27.080 10.120 -1.268 1.00 0.00 C ATOM 86 O ASN A 9 27.416 10.592 -2.355 1.00 0.00 O ATOM 87 CB ASN A 9 25.753 11.232 0.537 1.00 0.00 C ATOM 88 CG ASN A 9 24.382 11.652 1.031 1.00 0.00 C ATOM 89 OD1 ASN A 9 23.397 10.937 0.846 1.00 0.00 O ATOM 90 ND2 ASN A 9 24.313 12.818 1.663 1.00 0.00 N ATOM 0 H ASN A 9 25.071 8.817 0.576 1.00 0.00 H new ATOM 0 HA ASN A 9 25.087 10.867 -1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 9 26.271 10.689 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 9 26.346 12.120 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 9 23.417 13.154 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 9 25.156 13.378 1.794 1.00 0.00 H new ATOM 97 N TYR A 10 27.894 9.388 -0.515 1.00 0.00 N ATOM 98 CA TYR A 10 29.260 9.092 -0.930 1.00 0.00 C ATOM 99 C TYR A 10 30.067 10.375 -1.100 1.00 0.00 C ATOM 100 O TYR A 10 30.114 10.953 -2.185 1.00 0.00 O ATOM 101 CB TYR A 10 29.258 8.300 -2.238 1.00 0.00 C ATOM 102 CG TYR A 10 30.506 7.472 -2.447 1.00 0.00 C ATOM 103 CD1 TYR A 10 31.708 8.070 -2.805 1.00 0.00 C ATOM 104 CD2 TYR A 10 30.482 6.093 -2.287 1.00 0.00 C ATOM 105 CE1 TYR A 10 32.850 7.318 -2.998 1.00 0.00 C ATOM 106 CE2 TYR A 10 31.620 5.332 -2.476 1.00 0.00 C ATOM 107 CZ TYR A 10 32.802 5.950 -2.831 1.00 0.00 C ATOM 108 OH TYR A 10 33.937 5.196 -3.022 1.00 0.00 O ATOM 0 H TYR A 10 27.631 8.989 0.386 1.00 0.00 H new ATOM 0 HA TYR A 10 29.728 8.491 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 28.389 7.642 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 10 29.148 8.993 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 10 31.750 9.141 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 10 29.558 5.607 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 10 33.776 7.799 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 10 31.585 4.260 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 10 33.732 4.251 -2.864 1.00 0.00 H new ATOM 118 N ASN A 11 30.702 10.815 -0.018 1.00 0.00 N ATOM 119 CA ASN A 11 31.509 12.030 -0.046 1.00 0.00 C ATOM 120 C ASN A 11 32.674 11.931 0.934 1.00 0.00 C ATOM 121 O ASN A 11 32.704 11.051 1.793 1.00 0.00 O ATOM 122 CB ASN A 11 30.646 13.248 0.290 1.00 0.00 C ATOM 123 CG ASN A 11 29.713 12.990 1.457 1.00 0.00 C ATOM 124 OD1 ASN A 11 28.542 12.661 1.269 1.00 0.00 O ATOM 125 ND2 ASN A 11 30.229 13.140 2.672 1.00 0.00 N ATOM 0 H ASN A 11 30.673 10.349 0.889 1.00 0.00 H new ATOM 0 HA ASN A 11 31.913 12.146 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 11 31.292 14.094 0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 11 30.060 13.528 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 11 29.649 12.981 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 11 31.205 13.414 2.781 1.00 0.00 H new ATOM 132 N SER A 12 33.633 12.843 0.798 1.00 0.00 N ATOM 133 CA SER A 12 34.802 12.857 1.669 1.00 0.00 C ATOM 134 C SER A 12 35.207 14.288 2.012 1.00 0.00 C ATOM 135 O SER A 12 34.843 15.232 1.311 1.00 0.00 O ATOM 136 CB SER A 12 35.971 12.131 1.000 1.00 0.00 C ATOM 137 OG SER A 12 37.070 12.009 1.887 1.00 0.00 O ATOM 0 H SER A 12 33.623 13.581 0.094 1.00 0.00 H new ATOM 0 HA SER A 12 34.543 12.340 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 12 35.650 11.141 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 12 36.279 12.676 0.107 1.00 0.00 H new ATOM 0 HG SER A 12 37.803 11.540 1.437 1.00 0.00 H new ATOM 143 N TYR A 13 35.961 14.439 3.094 1.00 0.00 N ATOM 144 CA TYR A 13 36.414 15.754 3.533 1.00 0.00 C ATOM 145 C TYR A 13 37.730 15.650 4.298 1.00 0.00 C ATOM 146 O TYR A 13 38.220 14.553 4.564 1.00 0.00 O ATOM 147 CB TYR A 13 35.351 16.415 4.412 1.00 0.00 C ATOM 148 CG TYR A 13 35.108 17.870 4.078 1.00 0.00 C ATOM 149 CD1 TYR A 13 34.414 18.233 2.932 1.00 0.00 C ATOM 150 CD2 TYR A 13 35.574 18.880 4.911 1.00 0.00 C ATOM 151 CE1 TYR A 13 34.191 19.561 2.623 1.00 0.00 C ATOM 152 CE2 TYR A 13 35.354 20.211 4.610 1.00 0.00 C ATOM 153 CZ TYR A 13 34.663 20.546 3.465 1.00 0.00 C ATOM 154 OH TYR A 13 34.441 21.870 3.161 1.00 0.00 O ATOM 0 H TYR A 13 36.272 13.667 3.684 1.00 0.00 H new ATOM 0 HA TYR A 13 36.577 16.368 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 13 34.415 15.866 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 13 35.655 16.336 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 13 34.042 17.464 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.117 18.621 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 13 33.650 19.826 1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.721 20.984 5.268 1.00 0.00 H new ATOM 0 HH TYR A 13 34.837 22.436 3.856 1.00 0.00 H new ATOM 164 N MET A 14 38.295 16.800 4.648 1.00 0.00 N ATOM 165 CA MET A 14 39.553 16.840 5.384 1.00 0.00 C ATOM 166 C MET A 14 39.460 17.795 6.570 1.00 0.00 C ATOM 167 O MET A 14 38.660 18.731 6.563 1.00 0.00 O ATOM 168 CB MET A 14 40.696 17.266 4.461 1.00 0.00 C ATOM 169 CG MET A 14 40.400 18.530 3.670 1.00 0.00 C ATOM 170 SD MET A 14 40.278 18.228 1.897 1.00 0.00 S ATOM 171 CE MET A 14 38.963 19.359 1.450 1.00 0.00 C ATOM 0 H MET A 14 37.902 17.717 4.434 1.00 0.00 H new ATOM 0 HA MET A 14 39.755 15.838 5.762 1.00 0.00 H new ATOM 0 HB2 MET A 14 41.595 17.423 5.058 1.00 0.00 H new ATOM 0 HB3 MET A 14 40.912 16.455 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 14 39.466 18.966 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 14 41.185 19.263 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 14 38.771 19.288 0.379 1.00 0.00 H new ATOM 0 HE2 MET A 14 38.058 19.100 1.999 1.00 0.00 H new ATOM 0 HE3 MET A 14 39.259 20.378 1.699 1.00 0.00 H new ATOM 181 N ASP A 15 40.281 17.552 7.586 1.00 0.00 N ATOM 182 CA ASP A 15 40.291 18.391 8.778 1.00 0.00 C ATOM 183 C ASP A 15 41.466 19.364 8.748 1.00 0.00 C ATOM 184 O ASP A 15 41.407 20.441 9.340 1.00 0.00 O ATOM 185 CB ASP A 15 40.362 17.526 10.037 1.00 0.00 C ATOM 186 CG ASP A 15 40.280 18.346 11.309 1.00 0.00 C ATOM 187 OD1 ASP A 15 41.332 18.846 11.761 1.00 0.00 O ATOM 188 OD2 ASP A 15 39.165 18.488 11.853 1.00 0.00 O ATOM 0 H ASP A 15 40.948 16.781 7.608 1.00 0.00 H new ATOM 0 HA ASP A 15 39.366 18.967 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 15 39.548 16.801 10.023 1.00 0.00 H new ATOM 0 HB3 ASP A 15 41.293 16.960 10.033 1.00 0.00 H new ATOM 193 N GLU A 16 42.532 18.975 8.056 1.00 0.00 N ATOM 194 CA GLU A 16 43.721 19.813 7.951 1.00 0.00 C ATOM 195 C GLU A 16 44.253 20.179 9.333 1.00 0.00 C ATOM 196 O GLU A 16 44.186 21.335 9.751 1.00 0.00 O ATOM 197 CB GLU A 16 43.408 21.085 7.160 1.00 0.00 C ATOM 198 CG GLU A 16 44.646 21.841 6.708 1.00 0.00 C ATOM 199 CD GLU A 16 44.790 21.876 5.199 1.00 0.00 C ATOM 200 OE1 GLU A 16 43.779 22.128 4.512 1.00 0.00 O ATOM 201 OE2 GLU A 16 45.915 21.652 4.706 1.00 0.00 O ATOM 0 H GLU A 16 42.597 18.086 7.560 1.00 0.00 H new ATOM 0 HA GLU A 16 44.488 19.245 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 16 42.814 20.822 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 16 42.795 21.744 7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 44.603 22.861 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 16 45.530 21.375 7.143 1.00 0.00 H new ATOM 208 N LYS A 17 44.780 19.184 10.040 1.00 0.00 N ATOM 209 CA LYS A 17 45.324 19.399 11.375 1.00 0.00 C ATOM 210 C LYS A 17 46.849 19.412 11.345 1.00 0.00 C ATOM 211 O LYS A 17 47.475 18.546 10.735 1.00 0.00 O ATOM 212 CB LYS A 17 44.832 18.309 12.330 1.00 0.00 C ATOM 213 CG LYS A 17 45.416 16.937 12.041 1.00 0.00 C ATOM 214 CD LYS A 17 44.669 15.845 12.788 1.00 0.00 C ATOM 215 CE LYS A 17 43.788 15.031 11.852 1.00 0.00 C ATOM 216 NZ LYS A 17 44.508 13.851 11.299 1.00 0.00 N ATOM 0 H LYS A 17 44.842 18.221 9.710 1.00 0.00 H new ATOM 0 HA LYS A 17 44.976 20.369 11.730 1.00 0.00 H new ATOM 0 HB2 LYS A 17 45.083 18.593 13.352 1.00 0.00 H new ATOM 0 HB3 LYS A 17 43.745 18.251 12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 17 45.374 16.741 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 17 46.468 16.921 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 17 45.384 15.186 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 17 44.055 16.292 13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 17 42.900 14.696 12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 17 43.446 15.664 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 43.874 13.323 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 45.341 14.171 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 44.813 13.234 12.078 1.00 0.00 H new ATOM 230 N ASN A 18 47.441 20.399 12.011 1.00 0.00 N ATOM 231 CA ASN A 18 48.894 20.523 12.061 1.00 0.00 C ATOM 232 C ASN A 18 49.414 20.259 13.470 1.00 0.00 C ATOM 233 O ASN A 18 48.834 20.717 14.454 1.00 0.00 O ATOM 234 CB ASN A 18 49.323 21.917 11.600 1.00 0.00 C ATOM 235 CG ASN A 18 49.029 22.985 12.636 1.00 0.00 C ATOM 236 OD1 ASN A 18 47.971 23.616 12.611 1.00 0.00 O ATOM 237 ND2 ASN A 18 49.965 23.193 13.554 1.00 0.00 N ATOM 0 H ASN A 18 46.938 21.124 12.523 1.00 0.00 H new ATOM 0 HA ASN A 18 49.321 19.778 11.390 1.00 0.00 H new ATOM 0 HB2 ASN A 18 50.391 21.912 11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 18 48.808 22.164 10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 18 49.823 23.899 14.277 1.00 0.00 H new ATOM 0 HD22 ASN A 18 50.826 22.647 13.537 1.00 0.00 H new ATOM 244 N GLY A 19 50.513 19.516 13.560 1.00 0.00 N ATOM 245 CA GLY A 19 51.094 19.204 14.853 1.00 0.00 C ATOM 246 C GLY A 19 51.992 20.311 15.368 1.00 0.00 C ATOM 247 O GLY A 19 52.141 21.360 14.741 1.00 0.00 O ATOM 0 H GLY A 19 51.011 19.125 12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 19 50.295 19.024 15.573 1.00 0.00 H new ATOM 0 HA3 GLY A 19 51.668 18.281 14.776 1.00 0.00 H new ATOM 251 N PRO A 20 52.608 20.083 16.537 1.00 0.00 N ATOM 252 CA PRO A 20 53.505 21.058 17.163 1.00 0.00 C ATOM 253 C PRO A 20 54.812 21.220 16.394 1.00 0.00 C ATOM 254 O PRO A 20 55.139 20.432 15.506 1.00 0.00 O ATOM 255 CB PRO A 20 53.770 20.461 18.547 1.00 0.00 C ATOM 256 CG PRO A 20 53.557 18.996 18.375 1.00 0.00 C ATOM 257 CD PRO A 20 52.476 18.854 17.339 1.00 0.00 C ATOM 0 HA PRO A 20 53.066 22.055 17.191 1.00 0.00 H new ATOM 0 HB2 PRO A 20 54.784 20.677 18.884 1.00 0.00 H new ATOM 0 HB3 PRO A 20 53.092 20.875 19.293 1.00 0.00 H new ATOM 0 HG2 PRO A 20 54.474 18.503 18.052 1.00 0.00 H new ATOM 0 HG3 PRO A 20 53.260 18.532 19.315 1.00 0.00 H new ATOM 0 HD2 PRO A 20 52.617 17.960 16.731 1.00 0.00 H new ATOM 0 HD3 PRO A 20 51.489 18.776 17.796 1.00 0.00 H new ATOM 265 N PRO A 21 55.579 22.264 16.742 1.00 0.00 N ATOM 266 CA PRO A 21 56.864 22.552 16.097 1.00 0.00 C ATOM 267 C PRO A 21 57.933 21.524 16.449 1.00 0.00 C ATOM 268 O PRO A 21 57.764 20.700 17.349 1.00 0.00 O ATOM 269 CB PRO A 21 57.240 23.927 16.654 1.00 0.00 C ATOM 270 CG PRO A 21 56.533 24.012 17.962 1.00 0.00 C ATOM 271 CD PRO A 21 55.252 23.243 17.791 1.00 0.00 C ATOM 0 HA PRO A 21 56.790 22.523 15.010 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.319 24.022 16.780 1.00 0.00 H new ATOM 0 HB3 PRO A 21 56.926 24.726 15.982 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.140 23.587 18.762 1.00 0.00 H new ATOM 0 HG3 PRO A 21 56.333 25.049 18.231 1.00 0.00 H new ATOM 0 HD2 PRO A 21 54.950 22.754 18.717 1.00 0.00 H new ATOM 0 HD3 PRO A 21 54.430 23.893 17.492 1.00 0.00 H new ATOM 279 N PRO A 22 59.062 21.570 15.726 1.00 0.00 N ATOM 280 CA PRO A 22 59.274 22.545 14.652 1.00 0.00 C ATOM 281 C PRO A 22 58.391 22.273 13.439 1.00 0.00 C ATOM 282 O PRO A 22 57.773 21.216 13.315 1.00 0.00 O ATOM 283 CB PRO A 22 60.750 22.361 14.292 1.00 0.00 C ATOM 284 CG PRO A 22 61.065 20.960 14.691 1.00 0.00 C ATOM 285 CD PRO A 22 60.217 20.674 15.900 1.00 0.00 C ATOM 0 HA PRO A 22 59.021 23.558 14.965 1.00 0.00 H new ATOM 0 HB2 PRO A 22 60.920 22.517 13.227 1.00 0.00 H new ATOM 0 HB3 PRO A 22 61.379 23.075 14.823 1.00 0.00 H new ATOM 0 HG2 PRO A 22 60.840 20.264 13.883 1.00 0.00 H new ATOM 0 HG3 PRO A 22 62.124 20.849 14.922 1.00 0.00 H new ATOM 0 HD2 PRO A 22 59.912 19.628 15.939 1.00 0.00 H new ATOM 0 HD3 PRO A 22 60.753 20.884 16.826 1.00 0.00 H new ATOM 293 N PRO A 23 58.330 23.249 12.520 1.00 0.00 N ATOM 294 CA PRO A 23 57.526 23.137 11.299 1.00 0.00 C ATOM 295 C PRO A 23 58.098 22.117 10.321 1.00 0.00 C ATOM 296 O PRO A 23 59.051 21.407 10.636 1.00 0.00 O ATOM 297 CB PRO A 23 57.590 24.545 10.702 1.00 0.00 C ATOM 298 CG PRO A 23 58.857 25.123 11.230 1.00 0.00 C ATOM 299 CD PRO A 23 59.040 24.536 12.602 1.00 0.00 C ATOM 0 HA PRO A 23 56.513 22.794 11.508 1.00 0.00 H new ATOM 0 HB2 PRO A 23 57.593 24.513 9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 23 56.728 25.141 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 23 59.699 24.874 10.584 1.00 0.00 H new ATOM 0 HG3 PRO A 23 58.801 26.211 11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 23 60.094 24.399 12.843 1.00 0.00 H new ATOM 0 HD3 PRO A 23 58.618 25.179 13.374 1.00 0.00 H new ATOM 307 N ASN A 24 57.508 22.050 9.131 1.00 0.00 N ATOM 308 CA ASN A 24 57.959 21.116 8.106 1.00 0.00 C ATOM 309 C ASN A 24 59.312 21.539 7.542 1.00 0.00 C ATOM 310 O ASN A 24 60.289 20.796 7.622 1.00 0.00 O ATOM 311 CB ASN A 24 56.929 21.027 6.979 1.00 0.00 C ATOM 312 CG ASN A 24 57.230 19.902 6.007 1.00 0.00 C ATOM 313 OD1 ASN A 24 58.048 19.026 6.289 1.00 0.00 O ATOM 314 ND2 ASN A 24 56.569 19.922 4.856 1.00 0.00 N ATOM 0 H ASN A 24 56.717 22.631 8.853 1.00 0.00 H new ATOM 0 HA ASN A 24 58.069 20.134 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 24 55.938 20.878 7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 24 56.903 21.973 6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.730 19.191 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.900 20.668 4.665 1.00 0.00 H new ATOM 321 N MET A 25 59.359 22.739 6.972 1.00 0.00 N ATOM 322 CA MET A 25 60.593 23.262 6.396 1.00 0.00 C ATOM 323 C MET A 25 60.424 24.721 5.984 1.00 0.00 C ATOM 324 O MET A 25 59.369 25.120 5.489 1.00 0.00 O ATOM 325 CB MET A 25 61.012 22.424 5.186 1.00 0.00 C ATOM 326 CG MET A 25 62.498 22.106 5.153 1.00 0.00 C ATOM 327 SD MET A 25 62.847 20.380 5.539 1.00 0.00 S ATOM 328 CE MET A 25 64.087 20.001 4.302 1.00 0.00 C ATOM 0 H MET A 25 58.558 23.367 6.897 1.00 0.00 H new ATOM 0 HA MET A 25 61.372 23.205 7.156 1.00 0.00 H new ATOM 0 HB2 MET A 25 60.449 21.491 5.188 1.00 0.00 H new ATOM 0 HB3 MET A 25 60.742 22.957 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 25 62.894 22.341 4.165 1.00 0.00 H new ATOM 0 HG3 MET A 25 63.019 22.746 5.865 1.00 0.00 H new ATOM 0 HE1 MET A 25 64.405 18.964 4.411 1.00 0.00 H new ATOM 0 HE2 MET A 25 63.666 20.149 3.308 1.00 0.00 H new ATOM 0 HE3 MET A 25 64.946 20.659 4.434 1.00 0.00 H new ATOM 338 N THR A 26 61.470 25.515 6.191 1.00 0.00 N ATOM 339 CA THR A 26 61.437 26.930 5.843 1.00 0.00 C ATOM 340 C THR A 26 61.144 27.124 4.360 1.00 0.00 C ATOM 341 O THR A 26 61.303 26.203 3.558 1.00 0.00 O ATOM 342 CB THR A 26 62.768 27.625 6.187 1.00 0.00 C ATOM 343 OG1 THR A 26 62.658 29.034 5.958 1.00 0.00 O ATOM 344 CG2 THR A 26 63.906 27.057 5.353 1.00 0.00 C ATOM 0 H THR A 26 62.351 25.202 6.598 1.00 0.00 H new ATOM 0 HA THR A 26 60.638 27.381 6.431 1.00 0.00 H new ATOM 0 HB THR A 26 62.986 27.445 7.240 1.00 0.00 H new ATOM 0 HG1 THR A 26 63.508 29.469 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 26 64.836 27.563 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 26 64.006 25.990 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 26 63.693 27.210 4.295 1.00 0.00 H new ATOM 352 N THR A 27 60.715 28.330 3.999 1.00 0.00 N ATOM 353 CA THR A 27 60.399 28.645 2.611 1.00 0.00 C ATOM 354 C THR A 27 61.233 29.819 2.111 1.00 0.00 C ATOM 355 O THR A 27 62.110 29.653 1.264 1.00 0.00 O ATOM 356 CB THR A 27 58.905 28.980 2.437 1.00 0.00 C ATOM 357 OG1 THR A 27 58.413 29.644 3.606 1.00 0.00 O ATOM 358 CG2 THR A 27 58.094 27.718 2.185 1.00 0.00 C ATOM 0 H THR A 27 60.579 29.104 4.649 1.00 0.00 H new ATOM 0 HA THR A 27 60.636 27.758 2.023 1.00 0.00 H new ATOM 0 HB THR A 27 58.800 29.638 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 27 57.463 29.855 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 27 57.043 27.979 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 27 58.452 27.230 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 27 58.205 27.039 3.030 1.00 0.00 H new ATOM 366 N ASN A 28 60.953 31.006 2.640 1.00 0.00 N ATOM 367 CA ASN A 28 61.679 32.208 2.247 1.00 0.00 C ATOM 368 C ASN A 28 61.806 33.175 3.419 1.00 0.00 C ATOM 369 O ASN A 28 61.071 33.075 4.401 1.00 0.00 O ATOM 370 CB ASN A 28 60.971 32.896 1.078 1.00 0.00 C ATOM 371 CG ASN A 28 60.448 31.906 0.055 1.00 0.00 C ATOM 372 OD1 ASN A 28 61.209 31.364 -0.747 1.00 0.00 O ATOM 373 ND2 ASN A 28 59.142 31.666 0.079 1.00 0.00 N ATOM 0 H ASN A 28 60.229 31.161 3.342 1.00 0.00 H new ATOM 0 HA ASN A 28 62.680 31.912 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 28 60.142 33.492 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 28 61.662 33.585 0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 28 58.732 31.009 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 28 58.549 32.138 0.762 1.00 0.00 H new ATOM 380 N GLU A 29 62.743 34.112 3.309 1.00 0.00 N ATOM 381 CA GLU A 29 62.965 35.097 4.360 1.00 0.00 C ATOM 382 C GLU A 29 63.628 36.352 3.799 1.00 0.00 C ATOM 383 O GLU A 29 64.819 36.584 4.007 1.00 0.00 O ATOM 384 CB GLU A 29 63.833 34.503 5.471 1.00 0.00 C ATOM 385 CG GLU A 29 65.104 33.842 4.964 1.00 0.00 C ATOM 386 CD GLU A 29 66.357 34.457 5.555 1.00 0.00 C ATOM 387 OE1 GLU A 29 66.701 34.112 6.705 1.00 0.00 O ATOM 388 OE2 GLU A 29 66.994 35.284 4.869 1.00 0.00 O ATOM 0 H GLU A 29 63.360 34.209 2.503 1.00 0.00 H new ATOM 0 HA GLU A 29 61.995 35.373 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 29 64.100 35.293 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 29 63.248 33.769 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 29 65.077 32.779 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 29 65.142 33.922 3.878 1.00 0.00 H new ATOM 395 N ARG A 30 62.847 37.158 3.086 1.00 0.00 N ATOM 396 CA ARG A 30 63.358 38.388 2.493 1.00 0.00 C ATOM 397 C ARG A 30 64.582 38.106 1.626 1.00 0.00 C ATOM 398 O ARG A 30 65.662 38.647 1.865 1.00 0.00 O ATOM 399 CB ARG A 30 63.715 39.396 3.586 1.00 0.00 C ATOM 400 CG ARG A 30 63.820 40.827 3.084 1.00 0.00 C ATOM 401 CD ARG A 30 63.092 41.795 4.004 1.00 0.00 C ATOM 402 NE ARG A 30 63.486 43.180 3.763 1.00 0.00 N ATOM 403 CZ ARG A 30 64.660 43.684 4.126 1.00 0.00 C ATOM 404 NH1 ARG A 30 65.551 42.920 4.743 1.00 0.00 N ATOM 405 NH2 ARG A 30 64.946 44.955 3.871 1.00 0.00 N ATOM 0 H ARG A 30 61.859 36.981 2.905 1.00 0.00 H new ATOM 0 HA ARG A 30 62.576 38.809 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 30 62.961 39.350 4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 30 64.664 39.108 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 30 64.870 41.112 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 63.401 40.893 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.016 41.694 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 30 63.300 41.534 5.042 1.00 0.00 H new ATOM 0 HE ARG A 30 62.823 43.794 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 30 65.336 41.943 4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 30 66.452 43.310 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 30 64.264 45.546 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 30 65.848 45.341 4.150 1.00 0.00 H new ATOM 419 N ARG A 31 64.405 37.257 0.619 1.00 0.00 N ATOM 420 CA ARG A 31 65.495 36.902 -0.282 1.00 0.00 C ATOM 421 C ARG A 31 65.085 37.108 -1.737 1.00 0.00 C ATOM 422 O ARG A 31 64.181 36.440 -2.239 1.00 0.00 O ATOM 423 CB ARG A 31 65.916 35.449 -0.060 1.00 0.00 C ATOM 424 CG ARG A 31 66.600 35.210 1.277 1.00 0.00 C ATOM 425 CD ARG A 31 67.651 34.116 1.177 1.00 0.00 C ATOM 426 NE ARG A 31 68.999 34.631 1.403 1.00 0.00 N ATOM 427 CZ ARG A 31 70.066 33.854 1.555 1.00 0.00 C ATOM 428 NH1 ARG A 31 69.943 32.535 1.507 1.00 0.00 N ATOM 429 NH2 ARG A 31 71.260 34.397 1.757 1.00 0.00 N ATOM 0 H ARG A 31 63.517 36.802 0.407 1.00 0.00 H new ATOM 0 HA ARG A 31 66.341 37.555 -0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 31 65.035 34.810 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 31 66.590 35.148 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 31 67.066 36.134 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 31 65.855 34.934 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 31 67.434 33.336 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 31 67.600 33.653 0.191 1.00 0.00 H new ATOM 0 HE ARG A 31 69.128 35.642 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 31 69.027 32.113 1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 31 70.764 31.942 1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 31 71.359 35.411 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 31 72.079 33.800 1.874 1.00 0.00 H new ATOM 443 N VAL A 32 65.757 38.037 -2.410 1.00 0.00 N ATOM 444 CA VAL A 32 65.464 38.330 -3.808 1.00 0.00 C ATOM 445 C VAL A 32 66.746 38.526 -4.609 1.00 0.00 C ATOM 446 O VAL A 32 67.683 39.179 -4.149 1.00 0.00 O ATOM 447 CB VAL A 32 64.588 39.590 -3.945 1.00 0.00 C ATOM 448 CG1 VAL A 32 65.352 40.823 -3.488 1.00 0.00 C ATOM 449 CG2 VAL A 32 64.108 39.751 -5.380 1.00 0.00 C ATOM 0 H VAL A 32 66.508 38.599 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 32 64.920 37.473 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 32 63.714 39.476 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.718 41.703 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 32 65.641 40.705 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 32 66.245 40.945 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 32 63.491 40.646 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 32 64.968 39.844 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 32 63.521 38.879 -5.667 1.00 0.00 H new ATOM 459 N ILE A 33 66.780 37.957 -5.809 1.00 0.00 N ATOM 460 CA ILE A 33 67.947 38.070 -6.675 1.00 0.00 C ATOM 461 C ILE A 33 67.688 39.042 -7.821 1.00 0.00 C ATOM 462 O ILE A 33 68.607 39.698 -8.313 1.00 0.00 O ATOM 463 CB ILE A 33 68.351 36.703 -7.257 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.680 36.816 -8.007 1.00 0.00 C ATOM 465 CG2 ILE A 33 67.261 36.176 -8.179 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.465 35.523 -8.044 1.00 0.00 C ATOM 0 H ILE A 33 66.013 37.413 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 33 68.763 38.448 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 33 68.477 35.998 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.485 37.142 -9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.289 37.588 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.562 35.209 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.333 36.063 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 33 67.106 36.878 -8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.395 35.677 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.691 35.206 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.875 34.753 -8.541 1.00 0.00 H new ATOM 478 N VAL A 34 66.431 39.131 -8.242 1.00 0.00 N ATOM 479 CA VAL A 34 66.049 40.025 -9.329 1.00 0.00 C ATOM 480 C VAL A 34 64.591 40.450 -9.205 1.00 0.00 C ATOM 481 O VAL A 34 63.708 39.648 -8.898 1.00 0.00 O ATOM 482 CB VAL A 34 66.265 39.363 -10.703 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.226 39.852 -11.700 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.673 39.635 -11.210 1.00 0.00 C ATOM 0 H VAL A 34 65.659 38.595 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 34 66.688 40.905 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 34 66.147 38.285 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.394 39.374 -12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.229 39.600 -11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.309 40.933 -11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.808 39.160 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.823 40.710 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.398 39.230 -10.504 1.00 0.00 H new ATOM 494 N PRO A 35 64.328 41.743 -9.450 1.00 0.00 N ATOM 495 CA PRO A 35 62.976 42.304 -9.373 1.00 0.00 C ATOM 496 C PRO A 35 62.077 41.807 -10.499 1.00 0.00 C ATOM 497 O PRO A 35 60.948 41.379 -10.262 1.00 0.00 O ATOM 498 CB PRO A 35 63.210 43.811 -9.501 1.00 0.00 C ATOM 499 CG PRO A 35 64.496 43.933 -10.242 1.00 0.00 C ATOM 500 CD PRO A 35 65.331 42.755 -9.821 1.00 0.00 C ATOM 0 HA PRO A 35 62.466 42.014 -8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.395 44.294 -10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.270 44.287 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.328 43.927 -11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.997 44.871 -10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.973 42.407 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.982 43.003 -8.982 1.00 0.00 H new ATOM 508 N ALA A 36 62.585 41.865 -11.726 1.00 0.00 N ATOM 509 CA ALA A 36 61.829 41.419 -12.889 1.00 0.00 C ATOM 510 C ALA A 36 62.653 41.552 -14.165 1.00 0.00 C ATOM 511 O ALA A 36 63.145 40.561 -14.704 1.00 0.00 O ATOM 512 CB ALA A 36 60.533 42.207 -13.010 1.00 0.00 C ATOM 0 H ALA A 36 63.518 42.217 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 36 61.589 40.365 -12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.978 41.863 -13.883 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.930 42.056 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.761 43.267 -13.119 1.00 0.00 H new ATOM 518 N ASP A 37 62.800 42.783 -14.642 1.00 0.00 N ATOM 519 CA ASP A 37 63.565 43.046 -15.855 1.00 0.00 C ATOM 520 C ASP A 37 64.788 43.906 -15.550 1.00 0.00 C ATOM 521 O ASP A 37 64.864 44.578 -14.522 1.00 0.00 O ATOM 522 CB ASP A 37 62.687 43.739 -16.898 1.00 0.00 C ATOM 523 CG ASP A 37 62.345 42.831 -18.063 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.123 41.624 -17.830 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.299 43.327 -19.208 1.00 0.00 O ATOM 0 H ASP A 37 62.400 43.614 -14.207 1.00 0.00 H new ATOM 0 HA ASP A 37 63.905 42.091 -16.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.766 44.080 -16.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.201 44.625 -17.271 1.00 0.00 H new ATOM 530 N PRO A 38 65.770 43.884 -16.464 1.00 0.00 N ATOM 531 CA PRO A 38 67.008 44.655 -16.315 1.00 0.00 C ATOM 532 C PRO A 38 66.776 46.156 -16.456 1.00 0.00 C ATOM 533 O PRO A 38 67.619 46.964 -16.066 1.00 0.00 O ATOM 534 CB PRO A 38 67.887 44.140 -17.457 1.00 0.00 C ATOM 535 CG PRO A 38 66.925 43.641 -18.480 1.00 0.00 C ATOM 536 CD PRO A 38 65.747 43.105 -17.714 1.00 0.00 C ATOM 0 HA PRO A 38 67.451 44.527 -15.327 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.517 44.933 -17.860 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.552 43.346 -17.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.621 44.442 -19.153 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.378 42.863 -19.095 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.814 43.248 -18.259 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.844 42.036 -17.523 1.00 0.00 H new ATOM 544 N THR A 39 65.627 46.523 -17.015 1.00 0.00 N ATOM 545 CA THR A 39 65.285 47.926 -17.208 1.00 0.00 C ATOM 546 C THR A 39 64.754 48.545 -15.920 1.00 0.00 C ATOM 547 O THR A 39 64.882 49.750 -15.699 1.00 0.00 O ATOM 548 CB THR A 39 64.233 48.100 -18.320 1.00 0.00 C ATOM 549 OG1 THR A 39 63.328 46.991 -18.316 1.00 0.00 O ATOM 550 CG2 THR A 39 64.900 48.212 -19.683 1.00 0.00 C ATOM 0 H THR A 39 64.917 45.867 -17.342 1.00 0.00 H new ATOM 0 HA THR A 39 66.202 48.437 -17.502 1.00 0.00 H new ATOM 0 HB THR A 39 63.681 49.020 -18.127 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.662 47.110 -19.025 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.138 48.334 -20.452 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.566 49.075 -19.692 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.475 47.308 -19.882 1.00 0.00 H new ATOM 558 N LEU A 40 64.158 47.714 -15.072 1.00 0.00 N ATOM 559 CA LEU A 40 63.608 48.180 -13.804 1.00 0.00 C ATOM 560 C LEU A 40 64.484 47.739 -12.636 1.00 0.00 C ATOM 561 O LEU A 40 63.993 47.174 -11.658 1.00 0.00 O ATOM 562 CB LEU A 40 62.185 47.650 -13.618 1.00 0.00 C ATOM 563 CG LEU A 40 61.211 47.926 -14.764 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.060 46.932 -14.737 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.687 49.353 -14.686 1.00 0.00 C ATOM 0 H LEU A 40 64.043 46.714 -15.239 1.00 0.00 H new ATOM 0 HA LEU A 40 63.584 49.270 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.237 46.572 -13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.774 48.083 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 40 61.745 47.807 -15.707 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.377 47.144 -15.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.451 45.920 -14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.526 47.019 -13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 40 59.995 49.532 -15.509 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.169 49.499 -13.738 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.521 50.051 -14.755 1.00 0.00 H new ATOM 577 N TRP A 41 65.781 48.003 -12.743 1.00 0.00 N ATOM 578 CA TRP A 41 66.725 47.636 -11.694 1.00 0.00 C ATOM 579 C TRP A 41 67.042 48.832 -10.803 1.00 0.00 C ATOM 580 O TRP A 41 66.751 49.976 -11.156 1.00 0.00 O ATOM 581 CB TRP A 41 68.013 47.086 -12.308 1.00 0.00 C ATOM 582 CG TRP A 41 68.064 45.588 -12.340 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.000 44.734 -12.403 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.238 44.770 -12.310 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.443 43.433 -12.413 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.811 43.428 -12.357 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.608 45.039 -12.249 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.707 42.362 -12.345 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.495 43.980 -12.236 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.042 42.655 -12.285 1.00 0.00 C ATOM 0 H TRP A 41 66.203 48.470 -13.546 1.00 0.00 H new ATOM 0 HA TRP A 41 66.264 46.862 -11.080 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.114 47.468 -13.324 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.866 47.459 -11.741 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.964 45.036 -12.440 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.849 42.605 -12.455 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.967 46.057 -12.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.360 41.340 -12.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.556 44.177 -12.187 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.761 41.849 -12.275 1.00 0.00 H new ATOM 601 N THR A 42 67.640 48.563 -9.647 1.00 0.00 N ATOM 602 CA THR A 42 67.996 49.617 -8.706 1.00 0.00 C ATOM 603 C THR A 42 69.509 49.758 -8.584 1.00 0.00 C ATOM 604 O THR A 42 70.262 49.023 -9.222 1.00 0.00 O ATOM 605 CB THR A 42 67.402 49.348 -7.310 1.00 0.00 C ATOM 606 OG1 THR A 42 68.066 48.234 -6.702 1.00 0.00 O ATOM 607 CG2 THR A 42 65.910 49.067 -7.402 1.00 0.00 C ATOM 0 H THR A 42 67.888 47.623 -9.340 1.00 0.00 H new ATOM 0 HA THR A 42 67.578 50.544 -9.098 1.00 0.00 H new ATOM 0 HB THR A 42 67.551 50.238 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.577 47.410 -6.907 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.513 48.880 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.404 49.928 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.743 48.191 -8.029 1.00 0.00 H new ATOM 615 N GLN A 43 69.945 50.706 -7.761 1.00 0.00 N ATOM 616 CA GLN A 43 71.370 50.942 -7.556 1.00 0.00 C ATOM 617 C GLN A 43 72.019 49.764 -6.837 1.00 0.00 C ATOM 618 O GLN A 43 73.215 49.517 -6.986 1.00 0.00 O ATOM 619 CB GLN A 43 71.585 52.226 -6.754 1.00 0.00 C ATOM 620 CG GLN A 43 70.822 52.258 -5.439 1.00 0.00 C ATOM 621 CD GLN A 43 71.740 52.289 -4.233 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.710 51.535 -4.156 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.437 53.165 -3.281 1.00 0.00 N ATOM 0 H GLN A 43 69.333 51.322 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 43 71.839 51.050 -8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 43 72.649 52.343 -6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.282 53.079 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.174 53.134 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.176 51.382 -5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.623 53.771 -3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 43 72.018 53.231 -2.445 1.00 0.00 H new ATOM 632 N GLU A 44 71.221 49.041 -6.056 1.00 0.00 N ATOM 633 CA GLU A 44 71.720 47.890 -5.313 1.00 0.00 C ATOM 634 C GLU A 44 71.803 46.658 -6.210 1.00 0.00 C ATOM 635 O GLU A 44 72.797 45.931 -6.193 1.00 0.00 O ATOM 636 CB GLU A 44 70.817 47.600 -4.112 1.00 0.00 C ATOM 637 CG GLU A 44 71.521 46.865 -2.984 1.00 0.00 C ATOM 638 CD GLU A 44 70.608 45.897 -2.259 1.00 0.00 C ATOM 639 OE1 GLU A 44 69.462 46.284 -1.946 1.00 0.00 O ATOM 640 OE2 GLU A 44 71.038 44.753 -2.003 1.00 0.00 O ATOM 0 H GLU A 44 70.228 49.232 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 44 72.722 48.127 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 44 70.422 48.541 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.964 47.007 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 44 72.375 46.320 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.914 47.591 -2.272 1.00 0.00 H new ATOM 647 N HIS A 45 70.753 46.430 -6.992 1.00 0.00 N ATOM 648 CA HIS A 45 70.706 45.287 -7.896 1.00 0.00 C ATOM 649 C HIS A 45 71.908 45.289 -8.836 1.00 0.00 C ATOM 650 O HIS A 45 72.332 44.239 -9.321 1.00 0.00 O ATOM 651 CB HIS A 45 69.410 45.303 -8.706 1.00 0.00 C ATOM 652 CG HIS A 45 68.206 44.889 -7.918 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.148 45.735 -7.659 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.894 43.710 -7.331 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.239 45.095 -6.946 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.667 43.864 -6.734 1.00 0.00 N ATOM 0 H HIS A 45 69.923 47.022 -7.018 1.00 0.00 H new ATOM 0 HA HIS A 45 70.738 44.378 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.249 46.307 -9.099 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.519 44.639 -9.563 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.498 42.815 -7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.305 45.508 -6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.167 43.144 -6.212 1.00 0.00 H new ATOM 664 N VAL A 46 72.452 46.475 -9.091 1.00 0.00 N ATOM 665 CA VAL A 46 73.605 46.613 -9.973 1.00 0.00 C ATOM 666 C VAL A 46 74.895 46.235 -9.254 1.00 0.00 C ATOM 667 O VAL A 46 75.869 45.820 -9.883 1.00 0.00 O ATOM 668 CB VAL A 46 73.731 48.051 -10.510 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.941 48.176 -11.423 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.459 48.462 -11.236 1.00 0.00 C ATOM 0 H VAL A 46 72.113 47.354 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 46 73.447 45.933 -10.810 1.00 0.00 H new ATOM 0 HB VAL A 46 73.873 48.725 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.014 49.199 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.844 47.926 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.833 47.493 -12.265 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.566 49.481 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.283 47.786 -12.073 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.615 48.414 -10.547 1.00 0.00 H new ATOM 680 N ARG A 47 74.895 46.381 -7.934 1.00 0.00 N ATOM 681 CA ARG A 47 76.066 46.056 -7.129 1.00 0.00 C ATOM 682 C ARG A 47 76.032 44.596 -6.685 1.00 0.00 C ATOM 683 O ARG A 47 76.970 43.840 -6.937 1.00 0.00 O ATOM 684 CB ARG A 47 76.141 46.971 -5.905 1.00 0.00 C ATOM 685 CG ARG A 47 77.228 48.028 -6.000 1.00 0.00 C ATOM 686 CD ARG A 47 78.302 47.820 -4.944 1.00 0.00 C ATOM 687 NE ARG A 47 77.830 48.171 -3.607 1.00 0.00 N ATOM 688 CZ ARG A 47 78.538 47.970 -2.501 1.00 0.00 C ATOM 689 NH1 ARG A 47 79.744 47.424 -2.573 1.00 0.00 N ATOM 690 NH2 ARG A 47 78.040 48.316 -1.321 1.00 0.00 N ATOM 0 H ARG A 47 74.097 46.722 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 47 76.953 46.211 -7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.178 47.464 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.314 46.363 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.680 47.998 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.786 49.017 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 47 78.623 46.778 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 47 79.175 48.424 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 47 76.906 48.594 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 47 80.130 47.157 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.286 47.271 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.113 48.737 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.584 48.161 -0.472 1.00 0.00 H new ATOM 704 N GLN A 48 74.947 44.210 -6.023 1.00 0.00 N ATOM 705 CA GLN A 48 74.792 42.841 -5.543 1.00 0.00 C ATOM 706 C GLN A 48 75.024 41.840 -6.669 1.00 0.00 C ATOM 707 O GLN A 48 75.658 40.804 -6.471 1.00 0.00 O ATOM 708 CB GLN A 48 73.398 42.642 -4.946 1.00 0.00 C ATOM 709 CG GLN A 48 73.363 42.756 -3.431 1.00 0.00 C ATOM 710 CD GLN A 48 72.308 41.866 -2.803 1.00 0.00 C ATOM 711 OE1 GLN A 48 72.626 40.936 -2.061 1.00 0.00 O ATOM 712 NE2 GLN A 48 71.044 42.146 -3.098 1.00 0.00 N ATOM 0 H GLN A 48 74.162 44.825 -5.806 1.00 0.00 H new ATOM 0 HA GLN A 48 75.539 42.668 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.720 43.381 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.024 41.660 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.341 42.493 -3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 48 73.171 43.792 -3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 48 70.826 42.926 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 48 70.291 41.581 -2.705 1.00 0.00 H new ATOM 721 N TRP A 49 74.506 42.156 -7.851 1.00 0.00 N ATOM 722 CA TRP A 49 74.656 41.283 -9.009 1.00 0.00 C ATOM 723 C TRP A 49 76.129 41.033 -9.315 1.00 0.00 C ATOM 724 O TRP A 49 76.563 39.886 -9.431 1.00 0.00 O ATOM 725 CB TRP A 49 73.966 41.896 -10.229 1.00 0.00 C ATOM 726 CG TRP A 49 74.224 41.143 -11.498 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.865 39.854 -11.774 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.897 41.632 -12.663 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.275 39.512 -13.040 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.910 40.586 -13.607 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.489 42.851 -13.002 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.492 40.725 -14.864 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.067 42.987 -14.250 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.065 41.930 -15.169 1.00 0.00 C ATOM 0 H TRP A 49 73.979 43.010 -8.032 1.00 0.00 H new ATOM 0 HA TRP A 49 74.185 40.328 -8.776 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.892 41.933 -10.049 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.305 42.925 -10.350 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.336 39.200 -11.096 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.130 38.606 -13.485 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.495 43.673 -12.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.491 39.911 -15.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.528 43.925 -14.521 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.524 42.068 -16.137 1.00 0.00 H new ATOM 745 N LEU A 50 76.893 42.112 -9.445 1.00 0.00 N ATOM 746 CA LEU A 50 78.319 42.009 -9.737 1.00 0.00 C ATOM 747 C LEU A 50 79.037 41.197 -8.665 1.00 0.00 C ATOM 748 O LEU A 50 79.728 40.225 -8.969 1.00 0.00 O ATOM 749 CB LEU A 50 78.940 43.403 -9.839 1.00 0.00 C ATOM 750 CG LEU A 50 80.148 43.534 -10.767 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.697 43.689 -12.211 1.00 0.00 C ATOM 752 CD2 LEU A 50 81.018 44.710 -10.349 1.00 0.00 C ATOM 0 H LEU A 50 76.549 43.068 -9.353 1.00 0.00 H new ATOM 0 HA LEU A 50 78.433 41.496 -10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.171 44.098 -10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.239 43.720 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 50 80.742 42.623 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.570 43.781 -12.857 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.117 42.815 -12.507 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.080 44.583 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.873 44.787 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.434 45.629 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.371 44.557 -9.329 1.00 0.00 H new ATOM 764 N GLU A 51 78.867 41.601 -7.410 1.00 0.00 N ATOM 765 CA GLU A 51 79.499 40.908 -6.293 1.00 0.00 C ATOM 766 C GLU A 51 79.110 39.433 -6.278 1.00 0.00 C ATOM 767 O GLU A 51 79.854 38.589 -5.777 1.00 0.00 O ATOM 768 CB GLU A 51 79.104 41.565 -4.968 1.00 0.00 C ATOM 769 CG GLU A 51 80.189 42.454 -4.383 1.00 0.00 C ATOM 770 CD GLU A 51 80.193 42.446 -2.866 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.148 42.773 -2.268 1.00 0.00 O ATOM 772 OE2 GLU A 51 81.244 42.113 -2.279 1.00 0.00 O ATOM 0 H GLU A 51 78.298 42.404 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 51 80.579 40.979 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.203 42.159 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.855 40.787 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.161 42.122 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 51 80.047 43.475 -4.737 1.00 0.00 H new ATOM 779 N TRP A 52 77.940 39.130 -6.828 1.00 0.00 N ATOM 780 CA TRP A 52 77.452 37.757 -6.877 1.00 0.00 C ATOM 781 C TRP A 52 78.127 36.978 -8.001 1.00 0.00 C ATOM 782 O TRP A 52 78.709 35.918 -7.771 1.00 0.00 O ATOM 783 CB TRP A 52 75.934 37.740 -7.070 1.00 0.00 C ATOM 784 CG TRP A 52 75.357 36.358 -7.116 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.914 35.618 -6.057 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.161 35.550 -8.282 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.455 34.399 -6.494 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.595 34.333 -7.855 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.406 35.737 -9.645 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.273 33.310 -8.743 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.087 34.720 -10.525 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.524 33.520 -10.072 1.00 0.00 C ATOM 0 H TRP A 52 77.312 39.816 -7.246 1.00 0.00 H new ATOM 0 HA TRP A 52 77.697 37.277 -5.929 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.465 38.295 -6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.687 38.260 -7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.923 35.943 -5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.072 33.663 -5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.837 36.660 -10.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.840 32.383 -8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.275 34.853 -11.580 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.283 32.746 -10.785 1.00 0.00 H new ATOM 803 N ALA A 53 78.047 37.511 -9.215 1.00 0.00 N ATOM 804 CA ALA A 53 78.653 36.867 -10.374 1.00 0.00 C ATOM 805 C ALA A 53 80.129 36.572 -10.128 1.00 0.00 C ATOM 806 O ALA A 53 80.594 35.454 -10.353 1.00 0.00 O ATOM 807 CB ALA A 53 78.486 37.738 -11.610 1.00 0.00 C ATOM 0 H ALA A 53 77.568 38.388 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 53 78.142 35.919 -10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.943 37.244 -12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.425 37.894 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.970 38.701 -11.445 1.00 0.00 H new ATOM 813 N ILE A 54 80.860 37.581 -9.667 1.00 0.00 N ATOM 814 CA ILE A 54 82.284 37.428 -9.391 1.00 0.00 C ATOM 815 C ILE A 54 82.535 36.282 -8.416 1.00 0.00 C ATOM 816 O ILE A 54 83.609 35.681 -8.411 1.00 0.00 O ATOM 817 CB ILE A 54 82.886 38.722 -8.811 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.668 39.889 -9.776 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.369 38.533 -8.525 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.865 41.246 -9.137 1.00 0.00 C ATOM 0 H ILE A 54 80.491 38.513 -9.477 1.00 0.00 H new ATOM 0 HA ILE A 54 82.768 37.205 -10.342 1.00 0.00 H new ATOM 0 HB ILE A 54 82.381 38.953 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.355 39.789 -10.616 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.658 39.831 -10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.781 39.455 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.501 37.726 -7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.889 38.282 -9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.694 42.026 -9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.160 41.367 -8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.883 41.324 -8.756 1.00 0.00 H new ATOM 832 N LYS A 55 81.536 35.984 -7.593 1.00 0.00 N ATOM 833 CA LYS A 55 81.645 34.908 -6.615 1.00 0.00 C ATOM 834 C LYS A 55 81.290 33.564 -7.243 1.00 0.00 C ATOM 835 O LYS A 55 82.110 32.647 -7.273 1.00 0.00 O ATOM 836 CB LYS A 55 80.730 35.182 -5.419 1.00 0.00 C ATOM 837 CG LYS A 55 81.481 35.413 -4.119 1.00 0.00 C ATOM 838 CD LYS A 55 80.614 35.099 -2.912 1.00 0.00 C ATOM 839 CE LYS A 55 80.415 33.600 -2.743 1.00 0.00 C ATOM 840 NZ LYS A 55 80.175 33.229 -1.321 1.00 0.00 N ATOM 0 H LYS A 55 80.641 36.473 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 55 82.679 34.867 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.116 36.057 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.050 34.339 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.375 34.790 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.814 36.450 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.076 35.509 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.645 35.586 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 55 79.570 33.275 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.295 33.073 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.044 32.200 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.992 33.516 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.321 33.712 -0.976 1.00 0.00 H new ATOM 854 N GLU A 56 80.063 33.456 -7.744 1.00 0.00 N ATOM 855 CA GLU A 56 79.601 32.223 -8.372 1.00 0.00 C ATOM 856 C GLU A 56 80.511 31.829 -9.532 1.00 0.00 C ATOM 857 O GLU A 56 81.165 30.787 -9.495 1.00 0.00 O ATOM 858 CB GLU A 56 78.163 32.386 -8.869 1.00 0.00 C ATOM 859 CG GLU A 56 77.505 31.076 -9.266 1.00 0.00 C ATOM 860 CD GLU A 56 77.661 30.000 -8.209 1.00 0.00 C ATOM 861 OE1 GLU A 56 76.888 30.017 -7.228 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.555 29.142 -8.362 1.00 0.00 O ATOM 0 H GLU A 56 79.372 34.206 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 56 79.632 31.431 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.569 32.859 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.158 33.060 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.445 31.248 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.939 30.725 -10.203 1.00 0.00 H new ATOM 869 N TYR A 57 80.546 32.670 -10.560 1.00 0.00 N ATOM 870 CA TYR A 57 81.372 32.409 -11.732 1.00 0.00 C ATOM 871 C TYR A 57 82.850 32.352 -11.356 1.00 0.00 C ATOM 872 O TYR A 57 83.648 31.699 -12.027 1.00 0.00 O ATOM 873 CB TYR A 57 81.146 33.488 -12.792 1.00 0.00 C ATOM 874 CG TYR A 57 79.794 33.403 -13.464 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.599 32.596 -14.578 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.711 34.131 -12.985 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.366 32.515 -15.195 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.474 34.056 -13.595 1.00 0.00 C ATOM 879 CZ TYR A 57 77.306 33.247 -14.700 1.00 0.00 C ATOM 880 OH TYR A 57 76.076 33.170 -15.311 1.00 0.00 O ATOM 0 H TYR A 57 80.012 33.538 -10.605 1.00 0.00 H new ATOM 0 HA TYR A 57 81.082 31.441 -12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.251 34.469 -12.328 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.925 33.409 -13.550 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.426 32.022 -14.968 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.839 34.766 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.232 31.882 -16.060 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.643 34.628 -13.209 1.00 0.00 H new ATOM 0 HH TYR A 57 75.439 33.746 -14.838 1.00 0.00 H new ATOM 890 N SER A 58 83.205 33.041 -10.276 1.00 0.00 N ATOM 891 CA SER A 58 84.586 33.073 -9.810 1.00 0.00 C ATOM 892 C SER A 58 85.496 33.719 -10.850 1.00 0.00 C ATOM 893 O SER A 58 86.451 33.104 -11.326 1.00 0.00 O ATOM 894 CB SER A 58 85.075 31.656 -9.499 1.00 0.00 C ATOM 895 OG SER A 58 84.132 30.954 -8.708 1.00 0.00 O ATOM 0 H SER A 58 82.555 33.584 -9.708 1.00 0.00 H new ATOM 0 HA SER A 58 84.622 33.671 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.248 31.115 -10.429 1.00 0.00 H new ATOM 0 HB3 SER A 58 86.030 31.704 -8.975 1.00 0.00 H new ATOM 0 HG SER A 58 83.542 31.594 -8.258 1.00 0.00 H new ATOM 901 N LEU A 59 85.192 34.965 -11.200 1.00 0.00 N ATOM 902 CA LEU A 59 85.981 35.697 -12.184 1.00 0.00 C ATOM 903 C LEU A 59 87.267 36.232 -11.562 1.00 0.00 C ATOM 904 O LEU A 59 87.604 35.898 -10.427 1.00 0.00 O ATOM 905 CB LEU A 59 85.164 36.852 -12.765 1.00 0.00 C ATOM 906 CG LEU A 59 83.734 36.515 -13.192 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.918 37.785 -13.373 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.740 35.695 -14.473 1.00 0.00 C ATOM 0 H LEU A 59 84.405 35.489 -10.817 1.00 0.00 H new ATOM 0 HA LEU A 59 86.246 35.008 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.122 37.650 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.696 37.248 -13.630 1.00 0.00 H new ATOM 0 HG LEU A 59 83.271 35.919 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.904 37.526 -13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.886 38.334 -12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.379 38.407 -14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.715 35.464 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.222 36.265 -15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.288 34.767 -14.309 1.00 0.00 H new ATOM 920 N MET A 60 87.980 37.064 -12.314 1.00 0.00 N ATOM 921 CA MET A 60 89.228 37.648 -11.834 1.00 0.00 C ATOM 922 C MET A 60 89.586 38.897 -12.633 1.00 0.00 C ATOM 923 O MET A 60 89.514 38.900 -13.862 1.00 0.00 O ATOM 924 CB MET A 60 90.362 36.626 -11.927 1.00 0.00 C ATOM 925 CG MET A 60 90.563 36.066 -13.326 1.00 0.00 C ATOM 926 SD MET A 60 91.782 34.738 -13.374 1.00 0.00 S ATOM 927 CE MET A 60 91.505 34.084 -15.018 1.00 0.00 C ATOM 0 H MET A 60 87.716 37.349 -13.257 1.00 0.00 H new ATOM 0 HA MET A 60 89.090 37.933 -10.791 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.289 37.093 -11.595 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.156 35.804 -11.242 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.611 35.694 -13.704 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.879 36.868 -13.992 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.187 33.253 -15.199 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.476 33.734 -15.102 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.684 34.866 -15.756 1.00 0.00 H new ATOM 937 N GLU A 61 89.971 39.956 -11.927 1.00 0.00 N ATOM 938 CA GLU A 61 90.339 41.211 -12.573 1.00 0.00 C ATOM 939 C GLU A 61 89.153 41.801 -13.330 1.00 0.00 C ATOM 940 O GLU A 61 89.040 41.646 -14.546 1.00 0.00 O ATOM 941 CB GLU A 61 91.512 40.992 -13.531 1.00 0.00 C ATOM 942 CG GLU A 61 92.640 40.169 -12.933 1.00 0.00 C ATOM 943 CD GLU A 61 93.853 40.096 -13.841 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.804 39.348 -14.839 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.852 40.789 -13.552 1.00 0.00 O ATOM 0 H GLU A 61 90.036 39.970 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 61 90.639 41.915 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.148 40.495 -14.430 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.904 41.961 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.932 40.601 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.281 39.160 -12.731 1.00 0.00 H new ATOM 952 N ILE A 62 88.271 42.478 -12.601 1.00 0.00 N ATOM 953 CA ILE A 62 87.094 43.092 -13.204 1.00 0.00 C ATOM 954 C ILE A 62 86.836 44.476 -12.618 1.00 0.00 C ATOM 955 O ILE A 62 87.021 44.699 -11.421 1.00 0.00 O ATOM 956 CB ILE A 62 85.840 42.220 -13.005 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.676 42.766 -13.834 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.466 42.159 -11.531 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.461 41.866 -13.836 1.00 0.00 C ATOM 0 H ILE A 62 88.349 42.615 -11.593 1.00 0.00 H new ATOM 0 HA ILE A 62 87.297 43.184 -14.271 1.00 0.00 H new ATOM 0 HB ILE A 62 86.061 41.208 -13.346 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.392 43.745 -13.447 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.010 42.914 -14.861 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.578 41.539 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.291 41.729 -10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.260 43.165 -11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.676 42.316 -14.443 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.729 40.894 -14.251 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.101 41.738 -12.815 1.00 0.00 H new ATOM 971 N ASP A 63 86.406 45.401 -13.468 1.00 0.00 N ATOM 972 CA ASP A 63 86.118 46.763 -13.034 1.00 0.00 C ATOM 973 C ASP A 63 84.887 46.799 -12.134 1.00 0.00 C ATOM 974 O ASP A 63 83.863 46.187 -12.440 1.00 0.00 O ATOM 975 CB ASP A 63 85.906 47.673 -14.246 1.00 0.00 C ATOM 976 CG ASP A 63 87.213 48.149 -14.848 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.139 47.322 -14.988 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.310 49.349 -15.181 1.00 0.00 O ATOM 0 H ASP A 63 86.249 45.233 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 63 86.973 47.124 -12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.334 47.137 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.311 48.536 -13.949 1.00 0.00 H new ATOM 983 N THR A 64 84.994 47.518 -11.021 1.00 0.00 N ATOM 984 CA THR A 64 83.891 47.631 -10.075 1.00 0.00 C ATOM 985 C THR A 64 83.394 49.069 -9.981 1.00 0.00 C ATOM 986 O THR A 64 82.202 49.312 -9.788 1.00 0.00 O ATOM 987 CB THR A 64 84.304 47.150 -8.672 1.00 0.00 C ATOM 988 OG1 THR A 64 85.727 47.219 -8.528 1.00 0.00 O ATOM 989 CG2 THR A 64 83.833 45.724 -8.429 1.00 0.00 C ATOM 0 H THR A 64 85.834 48.031 -10.753 1.00 0.00 H new ATOM 0 HA THR A 64 83.088 46.995 -10.447 1.00 0.00 H new ATOM 0 HB THR A 64 83.834 47.802 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.980 46.913 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.136 45.406 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.747 45.681 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.278 45.062 -9.172 1.00 0.00 H new ATOM 997 N SER A 65 84.313 50.019 -10.118 1.00 0.00 N ATOM 998 CA SER A 65 83.967 51.434 -10.045 1.00 0.00 C ATOM 999 C SER A 65 82.923 51.793 -11.098 1.00 0.00 C ATOM 1000 O SER A 65 82.132 52.718 -10.914 1.00 0.00 O ATOM 1001 CB SER A 65 85.217 52.296 -10.235 1.00 0.00 C ATOM 1002 OG SER A 65 85.603 52.342 -11.597 1.00 0.00 O ATOM 0 H SER A 65 85.303 49.835 -10.280 1.00 0.00 H new ATOM 0 HA SER A 65 83.545 51.630 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.024 53.306 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 65 86.034 51.894 -9.636 1.00 0.00 H new ATOM 0 HG SER A 65 86.403 52.900 -11.692 1.00 0.00 H new ATOM 1008 N PHE A 66 82.928 51.055 -12.203 1.00 0.00 N ATOM 1009 CA PHE A 66 81.983 51.295 -13.287 1.00 0.00 C ATOM 1010 C PHE A 66 80.564 50.928 -12.863 1.00 0.00 C ATOM 1011 O PHE A 66 79.590 51.501 -13.352 1.00 0.00 O ATOM 1012 CB PHE A 66 82.380 50.490 -14.527 1.00 0.00 C ATOM 1013 CG PHE A 66 82.303 51.277 -15.803 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.287 52.197 -16.126 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.246 51.096 -16.681 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.217 52.924 -17.300 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.171 51.820 -17.856 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.159 52.734 -18.167 1.00 0.00 C ATOM 0 H PHE A 66 83.576 50.286 -12.371 1.00 0.00 H new ATOM 0 HA PHE A 66 82.009 52.358 -13.528 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.397 50.119 -14.399 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.731 49.618 -14.608 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.118 52.348 -15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.472 50.381 -16.444 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.989 53.640 -17.539 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.341 51.671 -18.530 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.104 53.299 -19.086 1.00 0.00 H new ATOM 1028 N PHE A 67 80.455 49.969 -11.949 1.00 0.00 N ATOM 1029 CA PHE A 67 79.156 49.525 -11.459 1.00 0.00 C ATOM 1030 C PHE A 67 78.925 49.997 -10.026 1.00 0.00 C ATOM 1031 O PHE A 67 78.223 49.345 -9.253 1.00 0.00 O ATOM 1032 CB PHE A 67 79.056 47.999 -11.527 1.00 0.00 C ATOM 1033 CG PHE A 67 79.508 47.428 -12.841 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.672 47.452 -13.946 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.768 46.866 -12.970 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.085 46.927 -15.156 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.186 46.340 -14.178 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.343 46.369 -15.272 1.00 0.00 C ATOM 0 H PHE A 67 81.251 49.485 -11.533 1.00 0.00 H new ATOM 0 HA PHE A 67 78.387 49.962 -12.096 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.656 47.567 -10.726 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.023 47.702 -11.347 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.687 47.886 -13.861 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.431 46.839 -12.118 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.425 46.953 -16.010 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.171 45.907 -14.267 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.667 45.956 -16.216 1.00 0.00 H new ATOM 1048 N GLN A 68 79.520 51.134 -9.681 1.00 0.00 N ATOM 1049 CA GLN A 68 79.380 51.692 -8.341 1.00 0.00 C ATOM 1050 C GLN A 68 78.030 52.382 -8.177 1.00 0.00 C ATOM 1051 O GLN A 68 77.444 52.371 -7.095 1.00 0.00 O ATOM 1052 CB GLN A 68 80.510 52.684 -8.059 1.00 0.00 C ATOM 1053 CG GLN A 68 80.407 53.969 -8.865 1.00 0.00 C ATOM 1054 CD GLN A 68 79.616 55.045 -8.149 1.00 0.00 C ATOM 1055 OE1 GLN A 68 79.199 54.867 -7.004 1.00 0.00 O ATOM 1056 NE2 GLN A 68 79.406 56.172 -8.820 1.00 0.00 N ATOM 0 H GLN A 68 80.103 51.686 -10.310 1.00 0.00 H new ATOM 0 HA GLN A 68 79.438 50.872 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.510 52.930 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.465 52.205 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.409 54.341 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.936 53.755 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 68 79.770 56.277 -9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 68 78.881 56.932 -8.388 1.00 0.00 H new ATOM 1065 N ASN A 69 77.541 52.980 -9.258 1.00 0.00 N ATOM 1066 CA ASN A 69 76.260 53.676 -9.234 1.00 0.00 C ATOM 1067 C ASN A 69 75.713 53.859 -10.646 1.00 0.00 C ATOM 1068 O ASN A 69 75.267 54.945 -11.014 1.00 0.00 O ATOM 1069 CB ASN A 69 76.408 55.038 -8.552 1.00 0.00 C ATOM 1070 CG ASN A 69 75.071 55.713 -8.312 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.165 55.127 -7.720 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.943 56.952 -8.772 1.00 0.00 N ATOM 0 H ASN A 69 78.013 52.997 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 69 75.556 53.068 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.924 54.911 -7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 69 77.033 55.684 -9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 69 74.067 57.457 -8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.721 57.399 -9.257 1.00 0.00 H new ATOM 1079 N MET A 70 75.750 52.788 -11.433 1.00 0.00 N ATOM 1080 CA MET A 70 75.257 52.830 -12.804 1.00 0.00 C ATOM 1081 C MET A 70 73.765 52.514 -12.855 1.00 0.00 C ATOM 1082 O MET A 70 73.283 51.635 -12.140 1.00 0.00 O ATOM 1083 CB MET A 70 76.030 51.840 -13.678 1.00 0.00 C ATOM 1084 CG MET A 70 75.782 52.021 -15.166 1.00 0.00 C ATOM 1085 SD MET A 70 77.301 52.312 -16.093 1.00 0.00 S ATOM 1086 CE MET A 70 77.763 50.636 -16.521 1.00 0.00 C ATOM 0 H MET A 70 76.116 51.881 -11.144 1.00 0.00 H new ATOM 0 HA MET A 70 75.410 53.839 -13.188 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.096 51.949 -13.480 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.755 50.825 -13.393 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.286 51.133 -15.558 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.102 52.859 -15.318 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.518 50.656 -17.307 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.167 50.134 -15.642 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.885 50.096 -16.875 1.00 0.00 H new ATOM 1096 N ASP A 71 73.041 53.235 -13.703 1.00 0.00 N ATOM 1097 CA ASP A 71 71.604 53.031 -13.847 1.00 0.00 C ATOM 1098 C ASP A 71 71.308 51.663 -14.454 1.00 0.00 C ATOM 1099 O ASP A 71 71.972 51.234 -15.397 1.00 0.00 O ATOM 1100 CB ASP A 71 70.995 54.132 -14.717 1.00 0.00 C ATOM 1101 CG ASP A 71 71.609 55.491 -14.445 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.099 56.206 -13.557 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.601 55.839 -15.120 1.00 0.00 O ATOM 0 H ASP A 71 73.425 53.966 -14.301 1.00 0.00 H new ATOM 0 HA ASP A 71 71.155 53.073 -12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.133 53.878 -15.768 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.921 54.180 -14.539 1.00 0.00 H new ATOM 1108 N GLY A 72 70.307 50.982 -13.905 1.00 0.00 N ATOM 1109 CA GLY A 72 69.941 49.669 -14.405 1.00 0.00 C ATOM 1110 C GLY A 72 69.700 49.665 -15.902 1.00 0.00 C ATOM 1111 O GLY A 72 69.972 48.673 -16.579 1.00 0.00 O ATOM 0 H GLY A 72 69.743 51.316 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.733 48.959 -14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.041 49.327 -13.894 1.00 0.00 H new ATOM 1115 N LYS A 73 69.187 50.775 -16.420 1.00 0.00 N ATOM 1116 CA LYS A 73 68.909 50.897 -17.846 1.00 0.00 C ATOM 1117 C LYS A 73 70.204 50.956 -18.650 1.00 0.00 C ATOM 1118 O LYS A 73 70.293 50.395 -19.742 1.00 0.00 O ATOM 1119 CB LYS A 73 68.070 52.148 -18.118 1.00 0.00 C ATOM 1120 CG LYS A 73 66.577 51.877 -18.180 1.00 0.00 C ATOM 1121 CD LYS A 73 65.844 52.968 -18.942 1.00 0.00 C ATOM 1122 CE LYS A 73 65.529 52.538 -20.367 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.063 52.442 -20.606 1.00 0.00 N ATOM 0 H LYS A 73 68.955 51.604 -15.873 1.00 0.00 H new ATOM 0 HA LYS A 73 68.348 50.016 -18.158 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.265 52.883 -17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.390 52.592 -19.061 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.401 50.915 -18.661 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.177 51.806 -17.169 1.00 0.00 H new ATOM 0 HD2 LYS A 73 64.918 53.217 -18.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.452 53.872 -18.960 1.00 0.00 H new ATOM 0 HE2 LYS A 73 65.965 53.251 -21.066 1.00 0.00 H new ATOM 0 HE3 LYS A 73 65.993 51.572 -20.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.890 52.146 -21.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 63.650 51.743 -19.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.623 53.370 -20.441 1.00 0.00 H new ATOM 1137 N GLU A 74 71.205 51.637 -18.102 1.00 0.00 N ATOM 1138 CA GLU A 74 72.495 51.768 -18.770 1.00 0.00 C ATOM 1139 C GLU A 74 73.130 50.399 -18.998 1.00 0.00 C ATOM 1140 O GLU A 74 73.789 50.169 -20.014 1.00 0.00 O ATOM 1141 CB GLU A 74 73.436 52.647 -17.943 1.00 0.00 C ATOM 1142 CG GLU A 74 73.769 53.973 -18.606 1.00 0.00 C ATOM 1143 CD GLU A 74 75.258 54.154 -18.832 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.863 53.299 -19.512 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.817 55.151 -18.329 1.00 0.00 O ATOM 0 H GLU A 74 71.148 52.106 -17.198 1.00 0.00 H new ATOM 0 HA GLU A 74 72.328 52.239 -19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.980 52.840 -16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.361 52.101 -17.758 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.250 54.038 -19.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.398 54.789 -17.986 1.00 0.00 H new ATOM 1152 N LEU A 75 72.928 49.494 -18.047 1.00 0.00 N ATOM 1153 CA LEU A 75 73.481 48.147 -18.143 1.00 0.00 C ATOM 1154 C LEU A 75 73.018 47.458 -19.423 1.00 0.00 C ATOM 1155 O LEU A 75 73.706 46.586 -19.955 1.00 0.00 O ATOM 1156 CB LEU A 75 73.069 47.318 -16.926 1.00 0.00 C ATOM 1157 CG LEU A 75 74.171 47.030 -15.906 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.781 48.327 -15.399 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.625 46.207 -14.748 1.00 0.00 C ATOM 0 H LEU A 75 72.386 49.668 -17.201 1.00 0.00 H new ATOM 0 HA LEU A 75 74.568 48.228 -18.169 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.257 47.836 -16.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.669 46.367 -17.278 1.00 0.00 H new ATOM 0 HG LEU A 75 74.953 46.453 -16.399 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.563 48.102 -14.674 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.209 48.879 -16.236 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.008 48.931 -14.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.423 46.012 -14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.823 46.758 -14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.237 45.261 -15.125 1.00 0.00 H new ATOM 1171 N CYS A 76 71.849 47.856 -19.913 1.00 0.00 N ATOM 1172 CA CYS A 76 71.294 47.278 -21.131 1.00 0.00 C ATOM 1173 C CYS A 76 71.947 47.886 -22.368 1.00 0.00 C ATOM 1174 O CYS A 76 72.263 47.181 -23.327 1.00 0.00 O ATOM 1175 CB CYS A 76 69.781 47.495 -21.180 1.00 0.00 C ATOM 1176 SG CYS A 76 68.820 46.182 -20.392 1.00 0.00 S ATOM 0 H CYS A 76 71.268 48.577 -19.485 1.00 0.00 H new ATOM 0 HA CYS A 76 71.500 46.208 -21.122 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.545 48.443 -20.697 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.471 47.582 -22.221 1.00 0.00 H new ATOM 0 HG CYS A 76 67.553 46.457 -20.483 1.00 0.00 H new ATOM 1182 N LYS A 77 72.147 49.199 -22.340 1.00 0.00 N ATOM 1183 CA LYS A 77 72.763 49.904 -23.459 1.00 0.00 C ATOM 1184 C LYS A 77 74.193 49.423 -23.683 1.00 0.00 C ATOM 1185 O LYS A 77 74.709 49.482 -24.799 1.00 0.00 O ATOM 1186 CB LYS A 77 72.754 51.413 -23.204 1.00 0.00 C ATOM 1187 CG LYS A 77 71.418 52.072 -23.499 1.00 0.00 C ATOM 1188 CD LYS A 77 70.998 53.007 -22.377 1.00 0.00 C ATOM 1189 CE LYS A 77 69.506 53.300 -22.424 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.183 54.631 -21.840 1.00 0.00 N ATOM 0 H LYS A 77 71.892 49.797 -21.554 1.00 0.00 H new ATOM 0 HA LYS A 77 72.182 49.690 -24.356 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.019 51.599 -22.163 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.524 51.881 -23.817 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.485 52.630 -24.433 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.656 51.305 -23.639 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.252 52.560 -21.416 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.556 53.941 -22.452 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.161 53.264 -23.457 1.00 0.00 H new ATOM 0 HE3 LYS A 77 68.966 52.524 -21.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.157 54.793 -21.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.489 54.658 -20.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.677 55.374 -22.374 1.00 0.00 H new ATOM 1204 N MET A 78 74.827 48.948 -22.617 1.00 0.00 N ATOM 1205 CA MET A 78 76.197 48.455 -22.699 1.00 0.00 C ATOM 1206 C MET A 78 76.294 47.279 -23.666 1.00 0.00 C ATOM 1207 O MET A 78 75.563 46.298 -23.540 1.00 0.00 O ATOM 1208 CB MET A 78 76.695 48.034 -21.315 1.00 0.00 C ATOM 1209 CG MET A 78 76.847 49.195 -20.346 1.00 0.00 C ATOM 1210 SD MET A 78 78.553 49.762 -20.204 1.00 0.00 S ATOM 1211 CE MET A 78 79.343 48.297 -19.544 1.00 0.00 C ATOM 0 H MET A 78 74.414 48.894 -21.686 1.00 0.00 H new ATOM 0 HA MET A 78 76.826 49.263 -23.072 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.000 47.308 -20.893 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.656 47.531 -21.421 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.219 50.023 -20.676 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.486 48.893 -19.363 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.270 48.578 -19.043 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.676 47.815 -18.829 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.565 47.606 -20.357 1.00 0.00 H new ATOM 1221 N ASN A 79 77.202 47.386 -24.631 1.00 0.00 N ATOM 1222 CA ASN A 79 77.393 46.331 -25.620 1.00 0.00 C ATOM 1223 C ASN A 79 78.744 45.646 -25.431 1.00 0.00 C ATOM 1224 O ASN A 79 79.481 45.952 -24.493 1.00 0.00 O ATOM 1225 CB ASN A 79 77.294 46.906 -27.035 1.00 0.00 C ATOM 1226 CG ASN A 79 75.877 47.305 -27.399 1.00 0.00 C ATOM 1227 OD1 ASN A 79 74.936 46.534 -27.210 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.720 48.514 -27.924 1.00 0.00 N ATOM 0 H ASN A 79 77.816 48.192 -24.749 1.00 0.00 H new ATOM 0 HA ASN A 79 76.607 45.589 -25.480 1.00 0.00 H new ATOM 0 HB2 ASN A 79 77.946 47.776 -27.117 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.656 46.168 -27.750 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.790 48.838 -28.189 1.00 0.00 H new ATOM 0 HD22 ASN A 79 76.529 49.119 -28.062 1.00 0.00 H new ATOM 1235 N LYS A 80 79.062 44.719 -26.328 1.00 0.00 N ATOM 1236 CA LYS A 80 80.323 43.991 -26.262 1.00 0.00 C ATOM 1237 C LYS A 80 81.503 44.954 -26.175 1.00 0.00 C ATOM 1238 O LYS A 80 82.523 44.646 -25.560 1.00 0.00 O ATOM 1239 CB LYS A 80 80.479 43.088 -27.487 1.00 0.00 C ATOM 1240 CG LYS A 80 81.647 42.122 -27.387 1.00 0.00 C ATOM 1241 CD LYS A 80 81.214 40.779 -26.823 1.00 0.00 C ATOM 1242 CE LYS A 80 81.369 39.668 -27.850 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.366 39.779 -28.944 1.00 0.00 N ATOM 0 H LYS A 80 78.463 44.454 -27.110 1.00 0.00 H new ATOM 0 HA LYS A 80 80.311 43.375 -25.363 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.560 42.520 -27.628 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.608 43.710 -28.372 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.087 41.978 -28.374 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.422 42.551 -26.752 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.808 40.545 -25.940 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.174 40.836 -26.501 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.373 39.702 -28.273 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.264 38.701 -27.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.505 39.004 -29.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.408 39.721 -28.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.483 40.691 -29.431 1.00 0.00 H new ATOM 1257 N GLU A 81 81.355 46.122 -26.793 1.00 0.00 N ATOM 1258 CA GLU A 81 82.409 47.130 -26.783 1.00 0.00 C ATOM 1259 C GLU A 81 82.454 47.858 -25.443 1.00 0.00 C ATOM 1260 O GLU A 81 83.495 47.911 -24.788 1.00 0.00 O ATOM 1261 CB GLU A 81 82.194 48.136 -27.916 1.00 0.00 C ATOM 1262 CG GLU A 81 82.200 47.506 -29.299 1.00 0.00 C ATOM 1263 CD GLU A 81 82.776 48.428 -30.356 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.894 48.945 -30.149 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.109 48.631 -31.392 1.00 0.00 O ATOM 0 H GLU A 81 80.516 46.393 -27.306 1.00 0.00 H new ATOM 0 HA GLU A 81 83.362 46.623 -26.933 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.243 48.646 -27.762 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.974 48.896 -27.869 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.780 46.583 -29.272 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.181 47.234 -29.575 1.00 0.00 H new ATOM 1272 N ASP A 82 81.317 48.417 -25.042 1.00 0.00 N ATOM 1273 CA ASP A 82 81.225 49.142 -23.780 1.00 0.00 C ATOM 1274 C ASP A 82 81.688 48.270 -22.618 1.00 0.00 C ATOM 1275 O ASP A 82 82.398 48.733 -21.725 1.00 0.00 O ATOM 1276 CB ASP A 82 79.789 49.612 -23.541 1.00 0.00 C ATOM 1277 CG ASP A 82 79.175 50.245 -24.774 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.936 50.773 -25.612 1.00 0.00 O ATOM 1279 OD2 ASP A 82 77.933 50.215 -24.900 1.00 0.00 O ATOM 0 H ASP A 82 80.447 48.382 -25.573 1.00 0.00 H new ATOM 0 HA ASP A 82 81.878 50.012 -23.840 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.179 48.764 -23.229 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.777 50.331 -22.722 1.00 0.00 H new ATOM 1284 N PHE A 83 81.281 47.005 -22.635 1.00 0.00 N ATOM 1285 CA PHE A 83 81.652 46.068 -21.581 1.00 0.00 C ATOM 1286 C PHE A 83 83.131 45.701 -21.675 1.00 0.00 C ATOM 1287 O PHE A 83 83.784 45.443 -20.663 1.00 0.00 O ATOM 1288 CB PHE A 83 80.795 44.803 -21.668 1.00 0.00 C ATOM 1289 CG PHE A 83 79.573 44.846 -20.796 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.689 45.013 -19.426 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.308 44.718 -21.347 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.567 45.053 -18.620 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.182 44.758 -20.547 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.312 44.924 -19.182 1.00 0.00 C ATOM 0 H PHE A 83 80.694 46.605 -23.367 1.00 0.00 H new ATOM 0 HA PHE A 83 81.476 46.553 -20.621 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.488 44.652 -22.703 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.402 43.942 -21.387 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.668 45.113 -18.982 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.201 44.586 -22.413 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.671 45.185 -17.553 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.201 44.660 -20.989 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.433 44.953 -18.555 1.00 0.00 H new ATOM 1304 N LEU A 84 83.652 45.680 -22.897 1.00 0.00 N ATOM 1305 CA LEU A 84 85.053 45.345 -23.125 1.00 0.00 C ATOM 1306 C LEU A 84 85.972 46.349 -22.437 1.00 0.00 C ATOM 1307 O LEU A 84 87.068 46.002 -21.995 1.00 0.00 O ATOM 1308 CB LEU A 84 85.352 45.309 -24.625 1.00 0.00 C ATOM 1309 CG LEU A 84 85.344 43.926 -25.277 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.296 44.050 -26.792 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.564 43.125 -24.844 1.00 0.00 C ATOM 0 H LEU A 84 83.125 45.891 -23.745 1.00 0.00 H new ATOM 0 HA LEU A 84 85.239 44.359 -22.699 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.620 45.934 -25.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.329 45.762 -24.791 1.00 0.00 H new ATOM 0 HG LEU A 84 84.450 43.396 -24.948 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.291 43.056 -27.238 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.392 44.584 -27.085 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.171 44.600 -27.140 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.542 42.144 -25.318 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.470 43.652 -25.143 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.555 43.005 -23.761 1.00 0.00 H new ATOM 1323 N ARG A 85 85.518 47.595 -22.347 1.00 0.00 N ATOM 1324 CA ARG A 85 86.299 48.649 -21.711 1.00 0.00 C ATOM 1325 C ARG A 85 86.342 48.457 -20.198 1.00 0.00 C ATOM 1326 O ARG A 85 87.282 48.892 -19.534 1.00 0.00 O ATOM 1327 CB ARG A 85 85.711 50.021 -22.046 1.00 0.00 C ATOM 1328 CG ARG A 85 85.716 50.341 -23.532 1.00 0.00 C ATOM 1329 CD ARG A 85 84.716 51.435 -23.871 1.00 0.00 C ATOM 1330 NE ARG A 85 84.627 51.669 -25.309 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.561 52.301 -26.010 1.00 0.00 C ATOM 1332 NH1 ARG A 85 86.649 52.761 -25.408 1.00 0.00 N ATOM 1333 NH2 ARG A 85 85.407 52.475 -27.317 1.00 0.00 N ATOM 0 H ARG A 85 84.613 47.899 -22.707 1.00 0.00 H new ATOM 0 HA ARG A 85 87.318 48.594 -22.095 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.687 50.068 -21.677 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.276 50.788 -21.516 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.715 50.654 -23.834 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.479 49.441 -24.100 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.734 51.160 -23.487 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.006 52.359 -23.371 1.00 0.00 H new ATOM 0 HE ARG A 85 83.802 51.328 -25.803 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.770 52.630 -24.404 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.365 53.246 -25.949 1.00 0.00 H new ATOM 0 HH21 ARG A 85 84.571 52.123 -27.783 1.00 0.00 H new ATOM 0 HH22 ARG A 85 86.125 52.961 -27.855 1.00 0.00 H new ATOM 1347 N ALA A 86 85.316 47.804 -19.661 1.00 0.00 N ATOM 1348 CA ALA A 86 85.237 47.554 -18.227 1.00 0.00 C ATOM 1349 C ALA A 86 85.934 46.248 -17.859 1.00 0.00 C ATOM 1350 O ALA A 86 86.655 46.176 -16.863 1.00 0.00 O ATOM 1351 CB ALA A 86 83.785 47.525 -17.776 1.00 0.00 C ATOM 0 H ALA A 86 84.529 47.439 -20.197 1.00 0.00 H new ATOM 0 HA ALA A 86 85.749 48.367 -17.712 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.741 47.337 -16.703 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.316 48.484 -17.996 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.255 46.733 -18.305 1.00 0.00 H new ATOM 1357 N THR A 87 85.714 45.217 -18.668 1.00 0.00 N ATOM 1358 CA THR A 87 86.319 43.913 -18.427 1.00 0.00 C ATOM 1359 C THR A 87 86.712 43.238 -19.736 1.00 0.00 C ATOM 1360 O THR A 87 86.395 43.729 -20.820 1.00 0.00 O ATOM 1361 CB THR A 87 85.364 42.986 -17.651 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.054 41.796 -17.250 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.158 42.617 -18.502 1.00 0.00 C ATOM 0 H THR A 87 85.121 45.260 -19.497 1.00 0.00 H new ATOM 0 HA THR A 87 87.213 44.085 -17.828 1.00 0.00 H new ATOM 0 HB THR A 87 85.015 43.519 -16.766 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.944 42.031 -16.914 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.498 41.962 -17.933 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.619 43.522 -18.781 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.492 42.102 -19.403 1.00 0.00 H new ATOM 1371 N THR A 88 87.405 42.108 -19.629 1.00 0.00 N ATOM 1372 CA THR A 88 87.842 41.366 -20.805 1.00 0.00 C ATOM 1373 C THR A 88 86.655 40.765 -21.548 1.00 0.00 C ATOM 1374 O THR A 88 85.523 40.799 -21.063 1.00 0.00 O ATOM 1375 CB THR A 88 88.819 40.238 -20.425 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.183 39.319 -19.530 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.072 40.803 -19.773 1.00 0.00 C ATOM 0 H THR A 88 87.675 41.687 -18.740 1.00 0.00 H new ATOM 0 HA THR A 88 88.353 42.076 -21.456 1.00 0.00 H new ATOM 0 HB THR A 88 89.107 39.716 -21.337 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.811 38.604 -19.295 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.747 39.987 -19.514 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.570 41.479 -20.468 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.798 41.348 -18.870 1.00 0.00 H new ATOM 1385 N LEU A 89 86.919 40.216 -22.729 1.00 0.00 N ATOM 1386 CA LEU A 89 85.871 39.607 -23.541 1.00 0.00 C ATOM 1387 C LEU A 89 85.278 38.389 -22.839 1.00 0.00 C ATOM 1388 O LEU A 89 84.060 38.206 -22.815 1.00 0.00 O ATOM 1389 CB LEU A 89 86.428 39.201 -24.907 1.00 0.00 C ATOM 1390 CG LEU A 89 85.433 39.216 -26.068 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.251 38.307 -25.769 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.960 40.635 -26.347 1.00 0.00 C ATOM 0 H LEU A 89 87.849 40.180 -23.145 1.00 0.00 H new ATOM 0 HA LEU A 89 85.080 40.344 -23.682 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.254 39.869 -25.154 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.844 38.197 -24.824 1.00 0.00 H new ATOM 0 HG LEU A 89 85.937 38.841 -26.959 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.553 38.330 -26.606 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.605 37.287 -25.620 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.746 38.651 -24.866 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.253 40.626 -27.176 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.473 41.037 -25.459 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.815 41.259 -26.606 1.00 0.00 H new ATOM 1404 N TYR A 90 86.145 37.561 -22.268 1.00 0.00 N ATOM 1405 CA TYR A 90 85.707 36.361 -21.565 1.00 0.00 C ATOM 1406 C TYR A 90 84.672 36.701 -20.498 1.00 0.00 C ATOM 1407 O TYR A 90 83.711 35.962 -20.291 1.00 0.00 O ATOM 1408 CB TYR A 90 86.903 35.654 -20.925 1.00 0.00 C ATOM 1409 CG TYR A 90 86.522 34.448 -20.097 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.385 33.195 -20.680 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.299 34.562 -18.730 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.036 32.090 -19.927 1.00 0.00 C ATOM 1413 CE2 TYR A 90 85.950 33.463 -17.969 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.820 32.230 -18.572 1.00 0.00 C ATOM 1415 OH TYR A 90 85.473 31.132 -17.818 1.00 0.00 O ATOM 0 H TYR A 90 87.156 37.699 -22.278 1.00 0.00 H new ATOM 0 HA TYR A 90 85.245 35.693 -22.292 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.592 35.342 -21.710 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.438 36.363 -20.294 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.554 33.082 -21.741 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.400 35.526 -18.254 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.933 31.123 -20.397 1.00 0.00 H new ATOM 0 HE2 TYR A 90 85.780 33.569 -16.908 1.00 0.00 H new ATOM 0 HH TYR A 90 85.358 31.401 -16.883 1.00 0.00 H new ATOM 1425 N ASN A 91 84.877 37.827 -19.822 1.00 0.00 N ATOM 1426 CA ASN A 91 83.963 38.268 -18.775 1.00 0.00 C ATOM 1427 C ASN A 91 82.725 38.928 -19.376 1.00 0.00 C ATOM 1428 O ASN A 91 81.609 38.742 -18.888 1.00 0.00 O ATOM 1429 CB ASN A 91 84.667 39.244 -17.831 1.00 0.00 C ATOM 1430 CG ASN A 91 85.527 38.534 -16.803 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.200 37.435 -16.355 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.634 39.162 -16.423 1.00 0.00 N ATOM 0 H ASN A 91 85.668 38.451 -19.981 1.00 0.00 H new ATOM 0 HA ASN A 91 83.648 37.391 -18.210 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.288 39.924 -18.413 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.921 39.852 -17.319 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.252 38.734 -15.733 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.866 40.072 -16.821 1.00 0.00 H new ATOM 1439 N THR A 92 82.930 39.701 -20.438 1.00 0.00 N ATOM 1440 CA THR A 92 81.832 40.389 -21.105 1.00 0.00 C ATOM 1441 C THR A 92 80.773 39.402 -21.582 1.00 0.00 C ATOM 1442 O THR A 92 79.584 39.717 -21.605 1.00 0.00 O ATOM 1443 CB THR A 92 82.333 41.209 -22.310 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.275 42.195 -21.873 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.173 41.888 -23.022 1.00 0.00 C ATOM 0 H THR A 92 83.846 39.866 -20.854 1.00 0.00 H new ATOM 0 HA THR A 92 81.391 41.065 -20.372 1.00 0.00 H new ATOM 0 HB THR A 92 82.819 40.528 -23.009 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.113 41.756 -21.616 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.551 42.461 -23.869 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.473 41.133 -23.378 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.663 42.558 -22.330 1.00 0.00 H new ATOM 1453 N GLU A 93 81.213 38.206 -21.961 1.00 0.00 N ATOM 1454 CA GLU A 93 80.301 37.173 -22.437 1.00 0.00 C ATOM 1455 C GLU A 93 79.514 36.566 -21.279 1.00 0.00 C ATOM 1456 O GLU A 93 78.400 36.074 -21.461 1.00 0.00 O ATOM 1457 CB GLU A 93 81.075 36.077 -23.172 1.00 0.00 C ATOM 1458 CG GLU A 93 81.762 36.561 -24.438 1.00 0.00 C ATOM 1459 CD GLU A 93 81.794 35.505 -25.526 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.710 35.128 -26.019 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.903 35.056 -25.884 1.00 0.00 O ATOM 0 H GLU A 93 82.195 37.929 -21.948 1.00 0.00 H new ATOM 0 HA GLU A 93 79.597 37.637 -23.128 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.824 35.660 -22.499 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.390 35.269 -23.427 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.246 37.446 -24.811 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.782 36.863 -24.200 1.00 0.00 H new ATOM 1468 N VAL A 94 80.102 36.604 -20.088 1.00 0.00 N ATOM 1469 CA VAL A 94 79.457 36.058 -18.899 1.00 0.00 C ATOM 1470 C VAL A 94 78.423 37.030 -18.340 1.00 0.00 C ATOM 1471 O VAL A 94 77.473 36.624 -17.669 1.00 0.00 O ATOM 1472 CB VAL A 94 80.487 35.733 -17.801 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.793 35.182 -16.565 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.527 34.752 -18.321 1.00 0.00 C ATOM 0 H VAL A 94 81.024 37.007 -19.920 1.00 0.00 H new ATOM 0 HA VAL A 94 78.959 35.137 -19.203 1.00 0.00 H new ATOM 0 HB VAL A 94 80.998 36.654 -17.521 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.536 34.958 -15.800 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.090 35.922 -16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.255 34.271 -16.826 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.247 34.533 -17.533 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.035 33.830 -18.629 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.045 35.189 -19.174 1.00 0.00 H new ATOM 1484 N LEU A 95 78.614 38.314 -18.621 1.00 0.00 N ATOM 1485 CA LEU A 95 77.698 39.345 -18.146 1.00 0.00 C ATOM 1486 C LEU A 95 76.567 39.570 -19.144 1.00 0.00 C ATOM 1487 O LEU A 95 75.390 39.429 -18.808 1.00 0.00 O ATOM 1488 CB LEU A 95 78.452 40.655 -17.909 1.00 0.00 C ATOM 1489 CG LEU A 95 79.571 40.606 -16.868 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.511 41.790 -17.040 1.00 0.00 C ATOM 1491 CD2 LEU A 95 78.991 40.583 -15.462 1.00 0.00 C ATOM 0 H LEU A 95 79.395 38.666 -19.175 1.00 0.00 H new ATOM 0 HA LEU A 95 77.265 39.006 -17.205 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.879 40.982 -18.857 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.733 41.415 -17.604 1.00 0.00 H new ATOM 0 HG LEU A 95 80.142 39.690 -17.018 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.301 41.739 -16.291 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.953 41.762 -18.036 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.953 42.718 -16.916 1.00 0.00 H new ATOM 0 HD21 LEU A 95 79.802 40.548 -14.734 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.396 41.482 -15.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.359 39.703 -15.343 1.00 0.00 H new ATOM 1503 N LEU A 96 76.930 39.918 -20.374 1.00 0.00 N ATOM 1504 CA LEU A 96 75.946 40.160 -21.423 1.00 0.00 C ATOM 1505 C LEU A 96 74.978 38.987 -21.543 1.00 0.00 C ATOM 1506 O LEU A 96 73.772 39.178 -21.695 1.00 0.00 O ATOM 1507 CB LEU A 96 76.647 40.397 -22.762 1.00 0.00 C ATOM 1508 CG LEU A 96 75.775 40.961 -23.885 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.318 42.372 -23.549 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.530 40.943 -25.206 1.00 0.00 C ATOM 0 H LEU A 96 77.899 40.039 -20.669 1.00 0.00 H new ATOM 0 HA LEU A 96 75.377 41.050 -21.155 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.480 41.081 -22.597 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.072 39.452 -23.099 1.00 0.00 H new ATOM 0 HG LEU A 96 74.892 40.330 -23.985 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.699 42.757 -24.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.739 42.357 -22.626 1.00 0.00 H new ATOM 0 HD13 LEU A 96 76.188 43.015 -23.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.895 41.348 -25.994 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.431 41.550 -25.119 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.806 39.918 -25.453 1.00 0.00 H new ATOM 1522 N SER A 97 75.516 37.774 -21.471 1.00 0.00 N ATOM 1523 CA SER A 97 74.700 36.569 -21.573 1.00 0.00 C ATOM 1524 C SER A 97 73.692 36.498 -20.430 1.00 0.00 C ATOM 1525 O SER A 97 72.526 36.158 -20.635 1.00 0.00 O ATOM 1526 CB SER A 97 75.588 35.324 -21.563 1.00 0.00 C ATOM 1527 OG SER A 97 74.829 34.154 -21.816 1.00 0.00 O ATOM 0 H SER A 97 76.513 37.599 -21.343 1.00 0.00 H new ATOM 0 HA SER A 97 74.153 36.609 -22.515 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.369 35.425 -22.317 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.086 35.236 -20.597 1.00 0.00 H new ATOM 0 HG SER A 97 75.420 33.372 -21.806 1.00 0.00 H new ATOM 1533 N HIS A 98 74.149 36.821 -19.225 1.00 0.00 N ATOM 1534 CA HIS A 98 73.289 36.794 -18.047 1.00 0.00 C ATOM 1535 C HIS A 98 72.186 37.843 -18.157 1.00 0.00 C ATOM 1536 O HIS A 98 71.016 37.559 -17.898 1.00 0.00 O ATOM 1537 CB HIS A 98 74.112 37.033 -16.782 1.00 0.00 C ATOM 1538 CG HIS A 98 73.434 36.570 -15.529 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.063 36.528 -15.388 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.946 36.126 -14.358 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.761 36.079 -14.182 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.886 35.827 -13.537 1.00 0.00 N ATOM 0 H HIS A 98 75.111 37.105 -19.038 1.00 0.00 H new ATOM 0 HA HIS A 98 72.826 35.809 -17.988 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.069 36.519 -16.879 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.329 38.098 -16.696 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.388 36.801 -16.102 1.00 0.00 H new ATOM 0 HD2 HIS A 98 74.993 36.025 -14.114 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.764 35.942 -13.790 1.00 0.00 H new ATOM 1550 N LEU A 99 72.567 39.057 -18.541 1.00 0.00 N ATOM 1551 CA LEU A 99 71.610 40.149 -18.684 1.00 0.00 C ATOM 1552 C LEU A 99 70.630 39.870 -19.818 1.00 0.00 C ATOM 1553 O LEU A 99 69.507 40.372 -19.819 1.00 0.00 O ATOM 1554 CB LEU A 99 72.345 41.466 -18.942 1.00 0.00 C ATOM 1555 CG LEU A 99 72.342 42.473 -17.791 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.932 41.850 -16.535 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.111 43.728 -18.178 1.00 0.00 C ATOM 0 H LEU A 99 73.531 39.310 -18.759 1.00 0.00 H new ATOM 0 HA LEU A 99 71.047 40.230 -17.754 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.380 41.238 -19.196 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.900 41.942 -19.816 1.00 0.00 H new ATOM 0 HG LEU A 99 71.310 42.754 -17.582 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.922 42.581 -15.727 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.339 40.982 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.958 41.540 -16.730 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.098 44.433 -17.347 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.142 43.465 -18.415 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.644 44.186 -19.050 1.00 0.00 H new ATOM 1569 N SER A 100 71.063 39.063 -20.782 1.00 0.00 N ATOM 1570 CA SER A 100 70.224 38.717 -21.924 1.00 0.00 C ATOM 1571 C SER A 100 69.352 37.505 -21.610 1.00 0.00 C ATOM 1572 O SER A 100 68.277 37.335 -22.185 1.00 0.00 O ATOM 1573 CB SER A 100 71.090 38.433 -23.152 1.00 0.00 C ATOM 1574 OG SER A 100 71.576 37.102 -23.137 1.00 0.00 O ATOM 0 H SER A 100 71.990 38.637 -20.795 1.00 0.00 H new ATOM 0 HA SER A 100 69.573 39.565 -22.136 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.508 38.601 -24.058 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.928 39.129 -23.179 1.00 0.00 H new ATOM 0 HG SER A 100 71.879 36.875 -22.233 1.00 0.00 H new ATOM 1580 N TYR A 101 69.824 36.666 -20.695 1.00 0.00 N ATOM 1581 CA TYR A 101 69.091 35.468 -20.306 1.00 0.00 C ATOM 1582 C TYR A 101 67.798 35.832 -19.582 1.00 0.00 C ATOM 1583 O TYR A 101 66.747 35.239 -19.827 1.00 0.00 O ATOM 1584 CB TYR A 101 69.958 34.581 -19.411 1.00 0.00 C ATOM 1585 CG TYR A 101 69.250 33.338 -18.922 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.227 32.180 -19.690 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.605 33.321 -17.691 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.581 31.042 -19.247 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.958 32.187 -17.240 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.948 31.050 -18.021 1.00 0.00 C ATOM 1591 OH TYR A 101 67.304 29.918 -17.576 1.00 0.00 O ATOM 0 H TYR A 101 70.711 36.794 -20.209 1.00 0.00 H new ATOM 0 HA TYR A 101 68.837 34.918 -21.212 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.852 34.287 -19.962 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.290 35.162 -18.551 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.723 32.170 -20.650 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.610 34.209 -17.077 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.572 30.151 -19.857 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.462 32.191 -16.280 1.00 0.00 H new ATOM 0 HH TYR A 101 66.911 30.090 -16.695 1.00 0.00 H new ATOM 1601 N LEU A 102 67.884 36.811 -18.688 1.00 0.00 N ATOM 1602 CA LEU A 102 66.722 37.256 -17.927 1.00 0.00 C ATOM 1603 C LEU A 102 65.612 37.734 -18.857 1.00 0.00 C ATOM 1604 O LEU A 102 64.435 37.451 -18.632 1.00 0.00 O ATOM 1605 CB LEU A 102 67.117 38.380 -16.967 1.00 0.00 C ATOM 1606 CG LEU A 102 68.243 38.057 -15.983 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.792 39.333 -15.363 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.750 37.107 -14.902 1.00 0.00 C ATOM 0 H LEU A 102 68.746 37.312 -18.472 1.00 0.00 H new ATOM 0 HA LEU A 102 66.349 36.408 -17.352 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.415 39.247 -17.557 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.235 38.670 -16.396 1.00 0.00 H new ATOM 0 HG LEU A 102 69.048 37.567 -16.530 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.592 39.084 -14.666 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.183 39.980 -16.148 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.995 39.851 -14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.564 36.888 -14.211 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.927 37.570 -14.358 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.405 36.181 -15.361 1.00 0.00 H new ATOM 1620 N ARG A 103 65.995 38.457 -19.905 1.00 0.00 N ATOM 1621 CA ARG A 103 65.032 38.973 -20.870 1.00 0.00 C ATOM 1622 C ARG A 103 64.350 37.832 -21.620 1.00 0.00 C ATOM 1623 O ARG A 103 63.156 37.895 -21.910 1.00 0.00 O ATOM 1624 CB ARG A 103 65.725 39.908 -21.863 1.00 0.00 C ATOM 1625 CG ARG A 103 65.620 41.378 -21.491 1.00 0.00 C ATOM 1626 CD ARG A 103 66.361 42.258 -22.485 1.00 0.00 C ATOM 1627 NE ARG A 103 65.447 43.067 -23.287 1.00 0.00 N ATOM 1628 CZ ARG A 103 65.806 43.693 -24.402 1.00 0.00 C ATOM 1629 NH1 ARG A 103 67.052 43.603 -24.846 1.00 0.00 N ATOM 1630 NH2 ARG A 103 64.916 44.410 -25.077 1.00 0.00 N ATOM 0 H ARG A 103 66.965 38.698 -20.107 1.00 0.00 H new ATOM 0 HA ARG A 103 64.272 39.532 -20.324 1.00 0.00 H new ATOM 0 HB2 ARG A 103 66.778 39.634 -21.933 1.00 0.00 H new ATOM 0 HB3 ARG A 103 65.291 39.760 -22.852 1.00 0.00 H new ATOM 0 HG2 ARG A 103 64.571 41.671 -21.455 1.00 0.00 H new ATOM 0 HG3 ARG A 103 66.028 41.532 -20.492 1.00 0.00 H new ATOM 0 HD2 ARG A 103 67.048 42.912 -21.948 1.00 0.00 H new ATOM 0 HD3 ARG A 103 66.964 41.633 -23.143 1.00 0.00 H new ATOM 0 HE ARG A 103 64.480 43.156 -22.974 1.00 0.00 H new ATOM 0 HH11 ARG A 103 67.738 43.052 -24.331 1.00 0.00 H new ATOM 0 HH12 ARG A 103 67.324 44.085 -25.703 1.00 0.00 H new ATOM 0 HH21 ARG A 103 63.956 44.480 -24.739 1.00 0.00 H new ATOM 0 HH22 ARG A 103 65.192 44.891 -25.933 1.00 0.00 H new ATOM 1644 N GLU A 104 65.117 36.792 -21.931 1.00 0.00 N ATOM 1645 CA GLU A 104 64.586 35.639 -22.648 1.00 0.00 C ATOM 1646 C GLU A 104 63.407 35.027 -21.897 1.00 0.00 C ATOM 1647 O GLU A 104 62.534 34.400 -22.496 1.00 0.00 O ATOM 1648 CB GLU A 104 65.679 34.587 -22.847 1.00 0.00 C ATOM 1649 CG GLU A 104 65.793 34.093 -24.280 1.00 0.00 C ATOM 1650 CD GLU A 104 67.179 34.302 -24.860 1.00 0.00 C ATOM 1651 OE1 GLU A 104 68.046 33.427 -24.657 1.00 0.00 O ATOM 1652 OE2 GLU A 104 67.395 35.342 -25.517 1.00 0.00 O ATOM 0 H GLU A 104 66.108 36.724 -21.698 1.00 0.00 H new ATOM 0 HA GLU A 104 64.237 35.979 -23.623 1.00 0.00 H new ATOM 0 HB2 GLU A 104 66.636 35.007 -22.539 1.00 0.00 H new ATOM 0 HB3 GLU A 104 65.478 33.738 -22.194 1.00 0.00 H new ATOM 0 HG2 GLU A 104 65.544 33.032 -24.316 1.00 0.00 H new ATOM 0 HG3 GLU A 104 65.062 34.613 -24.899 1.00 0.00 H new ATOM 1659 N SER A 105 63.390 35.215 -20.581 1.00 0.00 N ATOM 1660 CA SER A 105 62.321 34.678 -19.746 1.00 0.00 C ATOM 1661 C SER A 105 61.047 35.504 -19.896 1.00 0.00 C ATOM 1662 O SER A 105 59.940 34.966 -19.887 1.00 0.00 O ATOM 1663 CB SER A 105 62.755 34.651 -18.279 1.00 0.00 C ATOM 1664 OG SER A 105 63.959 33.921 -18.117 1.00 0.00 O ATOM 0 H SER A 105 64.104 35.735 -20.070 1.00 0.00 H new ATOM 0 HA SER A 105 62.114 33.660 -20.075 1.00 0.00 H new ATOM 0 HB2 SER A 105 62.893 35.670 -17.918 1.00 0.00 H new ATOM 0 HB3 SER A 105 61.969 34.202 -17.672 1.00 0.00 H new ATOM 0 HG SER A 105 64.216 33.920 -17.171 1.00 0.00 H new ATOM 1670 N SER A 106 61.213 36.816 -20.035 1.00 0.00 N ATOM 1671 CA SER A 106 60.078 37.718 -20.183 1.00 0.00 C ATOM 1672 C SER A 106 59.236 37.337 -21.397 1.00 0.00 C ATOM 1673 O SER A 106 58.036 37.610 -21.446 1.00 0.00 O ATOM 1674 CB SER A 106 60.562 39.163 -20.318 1.00 0.00 C ATOM 1675 OG SER A 106 61.751 39.374 -19.576 1.00 0.00 O ATOM 0 H SER A 106 62.123 37.277 -20.048 1.00 0.00 H new ATOM 0 HA SER A 106 59.458 37.631 -19.291 1.00 0.00 H new ATOM 0 HB2 SER A 106 60.739 39.394 -21.368 1.00 0.00 H new ATOM 0 HB3 SER A 106 59.786 39.844 -19.969 1.00 0.00 H new ATOM 0 HG SER A 106 61.667 40.197 -19.050 1.00 0.00 H new ATOM 1681 N LEU A 107 59.873 36.705 -22.376 1.00 0.00 N ATOM 1682 CA LEU A 107 59.184 36.285 -23.592 1.00 0.00 C ATOM 1683 C LEU A 107 57.946 35.460 -23.258 1.00 0.00 C ATOM 1684 O LEU A 107 56.969 35.456 -24.008 1.00 0.00 O ATOM 1685 CB LEU A 107 60.127 35.474 -24.482 1.00 0.00 C ATOM 1686 CG LEU A 107 61.091 36.282 -25.351 1.00 0.00 C ATOM 1687 CD1 LEU A 107 60.323 37.203 -26.286 1.00 0.00 C ATOM 1688 CD2 LEU A 107 62.051 37.081 -24.482 1.00 0.00 C ATOM 0 H LEU A 107 60.866 36.472 -22.352 1.00 0.00 H new ATOM 0 HA LEU A 107 58.868 37.179 -24.129 1.00 0.00 H new ATOM 0 HB2 LEU A 107 60.712 34.810 -23.846 1.00 0.00 H new ATOM 0 HB3 LEU A 107 59.524 34.842 -25.134 1.00 0.00 H new ATOM 0 HG LEU A 107 61.673 35.587 -25.956 1.00 0.00 H new ATOM 0 HD11 LEU A 107 61.026 37.770 -26.897 1.00 0.00 H new ATOM 0 HD12 LEU A 107 59.678 36.609 -26.933 1.00 0.00 H new ATOM 0 HD13 LEU A 107 59.714 37.891 -25.700 1.00 0.00 H new ATOM 0 HD21 LEU A 107 62.730 37.650 -25.118 1.00 0.00 H new ATOM 0 HD22 LEU A 107 61.486 37.766 -23.850 1.00 0.00 H new ATOM 0 HD23 LEU A 107 62.626 36.400 -23.855 1.00 0.00 H new ATOM 1700 N LEU A 108 57.992 34.764 -22.128 1.00 0.00 N ATOM 1701 CA LEU A 108 56.872 33.936 -21.693 1.00 0.00 C ATOM 1702 C LEU A 108 55.982 34.695 -20.714 1.00 0.00 C ATOM 1703 O LEU A 108 54.790 34.411 -20.595 1.00 0.00 O ATOM 1704 CB LEU A 108 57.385 32.651 -21.042 1.00 0.00 C ATOM 1705 CG LEU A 108 57.831 32.769 -19.584 1.00 0.00 C ATOM 1706 CD1 LEU A 108 56.735 32.281 -18.649 1.00 0.00 C ATOM 1707 CD2 LEU A 108 59.117 31.988 -19.354 1.00 0.00 C ATOM 0 H LEU A 108 58.793 34.756 -21.496 1.00 0.00 H new ATOM 0 HA LEU A 108 56.279 33.680 -22.571 1.00 0.00 H new ATOM 0 HB2 LEU A 108 56.598 31.899 -21.101 1.00 0.00 H new ATOM 0 HB3 LEU A 108 58.225 32.280 -21.629 1.00 0.00 H new ATOM 0 HG LEU A 108 58.024 33.820 -19.368 1.00 0.00 H new ATOM 0 HD11 LEU A 108 57.071 32.373 -17.616 1.00 0.00 H new ATOM 0 HD12 LEU A 108 55.838 32.883 -18.794 1.00 0.00 H new ATOM 0 HD13 LEU A 108 56.510 31.237 -18.866 1.00 0.00 H new ATOM 0 HD21 LEU A 108 59.419 32.084 -18.311 1.00 0.00 H new ATOM 0 HD22 LEU A 108 58.951 30.937 -19.589 1.00 0.00 H new ATOM 0 HD23 LEU A 108 59.903 32.384 -19.997 1.00 0.00 H new ATOM 1719 N ALA A 109 56.568 35.663 -20.018 1.00 0.00 N ATOM 1720 CA ALA A 109 55.826 36.466 -19.053 1.00 0.00 C ATOM 1721 C ALA A 109 54.674 37.206 -19.724 1.00 0.00 C ATOM 1722 O ALA A 109 53.632 37.439 -19.111 1.00 0.00 O ATOM 1723 CB ALA A 109 56.757 37.451 -18.361 1.00 0.00 C ATOM 0 H ALA A 109 57.554 35.911 -20.104 1.00 0.00 H new ATOM 0 HA ALA A 109 55.404 35.794 -18.306 1.00 0.00 H new ATOM 0 HB1 ALA A 109 56.191 38.044 -17.643 1.00 0.00 H new ATOM 0 HB2 ALA A 109 57.543 36.904 -17.840 1.00 0.00 H new ATOM 0 HB3 ALA A 109 57.205 38.111 -19.104 1.00 0.00 H new ATOM 1729 N TYR A 110 54.868 37.573 -20.986 1.00 0.00 N ATOM 1730 CA TYR A 110 53.846 38.289 -21.739 1.00 0.00 C ATOM 1731 C TYR A 110 52.619 37.411 -21.963 1.00 0.00 C ATOM 1732 O TYR A 110 52.555 36.648 -22.926 1.00 0.00 O ATOM 1733 CB TYR A 110 54.406 38.754 -23.085 1.00 0.00 C ATOM 1734 CG TYR A 110 55.139 40.075 -23.012 1.00 0.00 C ATOM 1735 CD1 TYR A 110 54.519 41.208 -22.501 1.00 0.00 C ATOM 1736 CD2 TYR A 110 56.451 40.189 -23.454 1.00 0.00 C ATOM 1737 CE1 TYR A 110 55.184 42.417 -22.433 1.00 0.00 C ATOM 1738 CE2 TYR A 110 57.125 41.393 -23.388 1.00 0.00 C ATOM 1739 CZ TYR A 110 56.487 42.504 -22.877 1.00 0.00 C ATOM 1740 OH TYR A 110 57.154 43.706 -22.811 1.00 0.00 O ATOM 0 H TYR A 110 55.724 37.386 -21.509 1.00 0.00 H new ATOM 0 HA TYR A 110 53.546 39.160 -21.157 1.00 0.00 H new ATOM 0 HB2 TYR A 110 55.084 37.992 -23.469 1.00 0.00 H new ATOM 0 HB3 TYR A 110 53.587 38.841 -23.799 1.00 0.00 H new ATOM 0 HD1 TYR A 110 53.499 41.143 -22.151 1.00 0.00 H new ATOM 0 HD2 TYR A 110 56.953 39.321 -23.856 1.00 0.00 H new ATOM 0 HE1 TYR A 110 54.687 43.289 -22.035 1.00 0.00 H new ATOM 0 HE2 TYR A 110 58.145 41.464 -23.734 1.00 0.00 H new ATOM 0 HH TYR A 110 58.062 43.596 -23.163 1.00 0.00 H new ATOM 1750 N ASN A 111 51.645 37.527 -21.065 1.00 0.00 N ATOM 1751 CA ASN A 111 50.418 36.744 -21.163 1.00 0.00 C ATOM 1752 C ASN A 111 49.198 37.655 -21.259 1.00 0.00 C ATOM 1753 O ASN A 111 49.210 38.782 -20.762 1.00 0.00 O ATOM 1754 CB ASN A 111 50.283 35.816 -19.955 1.00 0.00 C ATOM 1755 CG ASN A 111 49.054 34.932 -20.040 1.00 0.00 C ATOM 1756 OD1 ASN A 111 48.749 34.372 -21.093 1.00 0.00 O ATOM 1757 ND2 ASN A 111 48.340 34.802 -18.927 1.00 0.00 N ATOM 0 H ASN A 111 51.682 38.155 -20.262 1.00 0.00 H new ATOM 0 HA ASN A 111 50.472 36.142 -22.070 1.00 0.00 H new ATOM 0 HB2 ASN A 111 51.173 35.191 -19.879 1.00 0.00 H new ATOM 0 HB3 ASN A 111 50.235 36.414 -19.045 1.00 0.00 H new ATOM 0 HD21 ASN A 111 47.503 34.220 -18.923 1.00 0.00 H new ATOM 0 HD22 ASN A 111 48.629 35.284 -18.076 1.00 0.00 H new ATOM 1764 N THR A 112 48.145 37.159 -21.900 1.00 0.00 N ATOM 1765 CA THR A 112 46.917 37.928 -22.062 1.00 0.00 C ATOM 1766 C THR A 112 46.254 38.194 -20.715 1.00 0.00 C ATOM 1767 O THR A 112 45.858 39.322 -20.418 1.00 0.00 O ATOM 1768 CB THR A 112 45.915 37.201 -22.979 1.00 0.00 C ATOM 1769 OG1 THR A 112 45.523 35.957 -22.387 1.00 0.00 O ATOM 1770 CG2 THR A 112 46.524 36.946 -24.350 1.00 0.00 C ATOM 0 H THR A 112 48.118 36.228 -22.316 1.00 0.00 H new ATOM 0 HA THR A 112 47.196 38.876 -22.521 1.00 0.00 H new ATOM 0 HB THR A 112 45.038 37.837 -23.100 1.00 0.00 H new ATOM 0 HG1 THR A 112 44.885 35.502 -22.975 1.00 0.00 H new ATOM 0 HG21 THR A 112 45.799 36.432 -24.980 1.00 0.00 H new ATOM 0 HG22 THR A 112 46.795 37.896 -24.810 1.00 0.00 H new ATOM 0 HG23 THR A 112 47.415 36.327 -24.243 1.00 0.00 H new ATOM 1778 N THR A 113 46.136 37.149 -19.901 1.00 0.00 N ATOM 1779 CA THR A 113 45.521 37.271 -18.586 1.00 0.00 C ATOM 1780 C THR A 113 44.061 37.695 -18.699 1.00 0.00 C ATOM 1781 O THR A 113 43.760 38.878 -18.858 1.00 0.00 O ATOM 1782 CB THR A 113 46.273 38.287 -17.705 1.00 0.00 C ATOM 1783 OG1 THR A 113 47.676 38.002 -17.718 1.00 0.00 O ATOM 1784 CG2 THR A 113 45.756 38.251 -16.275 1.00 0.00 C ATOM 0 H THR A 113 46.459 36.209 -20.130 1.00 0.00 H new ATOM 0 HA THR A 113 45.576 36.287 -18.119 1.00 0.00 H new ATOM 0 HB THR A 113 46.101 39.284 -18.111 1.00 0.00 H new ATOM 0 HG1 THR A 113 48.147 38.653 -17.157 1.00 0.00 H new ATOM 0 HG21 THR A 113 46.302 38.977 -15.672 1.00 0.00 H new ATOM 0 HG22 THR A 113 44.694 38.497 -16.266 1.00 0.00 H new ATOM 0 HG23 THR A 113 45.901 37.253 -15.861 1.00 0.00 H new ATOM 1792 N SER A 114 43.159 36.723 -18.614 1.00 0.00 N ATOM 1793 CA SER A 114 41.730 36.997 -18.710 1.00 0.00 C ATOM 1794 C SER A 114 41.103 37.107 -17.323 1.00 0.00 C ATOM 1795 O SER A 114 40.502 36.156 -16.823 1.00 0.00 O ATOM 1796 CB SER A 114 41.031 35.896 -19.511 1.00 0.00 C ATOM 1797 OG SER A 114 39.680 36.235 -19.772 1.00 0.00 O ATOM 0 H SER A 114 43.392 35.739 -18.479 1.00 0.00 H new ATOM 0 HA SER A 114 41.602 37.949 -19.225 1.00 0.00 H new ATOM 0 HB2 SER A 114 41.558 35.736 -20.452 1.00 0.00 H new ATOM 0 HB3 SER A 114 41.074 34.957 -18.959 1.00 0.00 H new ATOM 0 HG SER A 114 39.256 35.517 -20.286 1.00 0.00 H new ATOM 1803 N HIS A 115 41.250 38.275 -16.706 1.00 0.00 N ATOM 1804 CA HIS A 115 40.698 38.512 -15.376 1.00 0.00 C ATOM 1805 C HIS A 115 41.163 37.439 -14.396 1.00 0.00 C ATOM 1806 O HIS A 115 40.365 36.885 -13.640 1.00 0.00 O ATOM 1807 CB HIS A 115 39.171 38.540 -15.432 1.00 0.00 C ATOM 1808 CG HIS A 115 38.622 39.678 -16.237 1.00 0.00 C ATOM 1809 ND1 HIS A 115 37.291 40.037 -16.222 1.00 0.00 N ATOM 1810 CD2 HIS A 115 39.233 40.538 -17.085 1.00 0.00 C ATOM 1811 CE1 HIS A 115 37.106 41.069 -17.026 1.00 0.00 C ATOM 1812 NE2 HIS A 115 38.269 41.393 -17.562 1.00 0.00 N ATOM 0 H HIS A 115 41.746 39.072 -17.105 1.00 0.00 H new ATOM 0 HA HIS A 115 41.059 39.479 -15.027 1.00 0.00 H new ATOM 0 HB2 HIS A 115 38.814 37.601 -15.855 1.00 0.00 H new ATOM 0 HB3 HIS A 115 38.779 38.602 -14.417 1.00 0.00 H new ATOM 0 HD2 HIS A 115 40.283 40.550 -17.339 1.00 0.00 H new ATOM 0 HE1 HIS A 115 36.164 41.563 -17.213 1.00 0.00 H new ATOM 0 HE2 HIS A 115 38.426 42.154 -18.223 1.00 0.00 H new ATOM 1820 N THR A 116 42.461 37.149 -14.415 1.00 0.00 N ATOM 1821 CA THR A 116 43.032 36.142 -13.531 1.00 0.00 C ATOM 1822 C THR A 116 44.181 36.717 -12.711 1.00 0.00 C ATOM 1823 O THR A 116 45.193 36.052 -12.490 1.00 0.00 O ATOM 1824 CB THR A 116 43.542 34.923 -14.323 1.00 0.00 C ATOM 1825 OG1 THR A 116 44.460 35.346 -15.336 1.00 0.00 O ATOM 1826 CG2 THR A 116 42.385 34.170 -14.962 1.00 0.00 C ATOM 0 H THR A 116 43.136 37.598 -15.034 1.00 0.00 H new ATOM 0 HA THR A 116 42.235 35.823 -12.860 1.00 0.00 H new ATOM 0 HB THR A 116 44.051 34.254 -13.629 1.00 0.00 H new ATOM 0 HG1 THR A 116 44.781 34.565 -15.834 1.00 0.00 H new ATOM 0 HG21 THR A 116 42.770 33.314 -15.516 1.00 0.00 H new ATOM 0 HG22 THR A 116 41.703 33.823 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 116 41.852 34.833 -15.643 1.00 0.00 H new ATOM 1834 N ASP A 117 44.017 37.957 -12.261 1.00 0.00 N ATOM 1835 CA ASP A 117 45.041 38.622 -11.463 1.00 0.00 C ATOM 1836 C ASP A 117 44.703 38.550 -9.977 1.00 0.00 C ATOM 1837 O ASP A 117 43.562 38.280 -9.603 1.00 0.00 O ATOM 1838 CB ASP A 117 45.186 40.082 -11.896 1.00 0.00 C ATOM 1839 CG ASP A 117 46.427 40.735 -11.320 1.00 0.00 C ATOM 1840 OD1 ASP A 117 47.535 40.203 -11.543 1.00 0.00 O ATOM 1841 OD2 ASP A 117 46.291 41.778 -10.646 1.00 0.00 O ATOM 0 H ASP A 117 43.185 38.521 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 117 45.987 38.107 -11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 117 45.223 40.133 -12.984 1.00 0.00 H new ATOM 0 HB3 ASP A 117 44.305 40.641 -11.581 1.00 0.00 H new ATOM 1846 N GLN A 118 45.703 38.793 -9.136 1.00 0.00 N ATOM 1847 CA GLN A 118 45.512 38.753 -7.691 1.00 0.00 C ATOM 1848 C GLN A 118 46.333 39.839 -7.003 1.00 0.00 C ATOM 1849 O GLN A 118 47.505 40.040 -7.321 1.00 0.00 O ATOM 1850 CB GLN A 118 45.899 37.379 -7.141 1.00 0.00 C ATOM 1851 CG GLN A 118 44.712 36.457 -6.916 1.00 0.00 C ATOM 1852 CD GLN A 118 44.327 36.350 -5.453 1.00 0.00 C ATOM 1853 OE1 GLN A 118 44.115 35.253 -4.935 1.00 0.00 O ATOM 1854 NE2 GLN A 118 44.233 37.490 -4.780 1.00 0.00 N ATOM 0 H GLN A 118 46.653 39.019 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 118 44.457 38.935 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 118 46.593 36.902 -7.833 1.00 0.00 H new ATOM 0 HB3 GLN A 118 46.430 37.511 -6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 118 43.859 36.823 -7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 118 44.950 35.465 -7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 118 44.418 38.376 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 118 43.976 37.480 -3.793 1.00 0.00 H new ATOM 1863 N SER A 119 45.709 40.537 -6.060 1.00 0.00 N ATOM 1864 CA SER A 119 46.381 41.606 -5.330 1.00 0.00 C ATOM 1865 C SER A 119 47.329 41.034 -4.280 1.00 0.00 C ATOM 1866 O SER A 119 47.125 39.928 -3.780 1.00 0.00 O ATOM 1867 CB SER A 119 45.353 42.520 -4.661 1.00 0.00 C ATOM 1868 OG SER A 119 44.196 42.662 -5.467 1.00 0.00 O ATOM 0 H SER A 119 44.740 40.382 -5.783 1.00 0.00 H new ATOM 0 HA SER A 119 46.965 42.188 -6.043 1.00 0.00 H new ATOM 0 HB2 SER A 119 45.075 42.111 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 119 45.796 43.499 -4.479 1.00 0.00 H new ATOM 0 HG SER A 119 43.554 43.249 -5.017 1.00 0.00 H new ATOM 1874 N SER A 120 48.367 41.797 -3.951 1.00 0.00 N ATOM 1875 CA SER A 120 49.350 41.366 -2.964 1.00 0.00 C ATOM 1876 C SER A 120 49.120 42.065 -1.627 1.00 0.00 C ATOM 1877 O SER A 120 49.249 43.284 -1.522 1.00 0.00 O ATOM 1878 CB SER A 120 50.767 41.653 -3.465 1.00 0.00 C ATOM 1879 OG SER A 120 51.053 43.040 -3.419 1.00 0.00 O ATOM 0 H SER A 120 48.549 42.716 -4.354 1.00 0.00 H new ATOM 0 HA SER A 120 49.234 40.292 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 120 51.489 41.109 -2.855 1.00 0.00 H new ATOM 0 HB3 SER A 120 50.875 41.290 -4.487 1.00 0.00 H new ATOM 0 HG SER A 120 50.350 43.502 -2.916 1.00 0.00 H new ATOM 1885 N ARG A 121 48.778 41.282 -0.609 1.00 0.00 N ATOM 1886 CA ARG A 121 48.528 41.824 0.721 1.00 0.00 C ATOM 1887 C ARG A 121 49.020 40.865 1.801 1.00 0.00 C ATOM 1888 O ARG A 121 48.264 40.475 2.692 1.00 0.00 O ATOM 1889 CB ARG A 121 47.036 42.101 0.911 1.00 0.00 C ATOM 1890 CG ARG A 121 46.580 43.422 0.313 1.00 0.00 C ATOM 1891 CD ARG A 121 45.542 44.102 1.192 1.00 0.00 C ATOM 1892 NE ARG A 121 44.958 45.273 0.543 1.00 0.00 N ATOM 1893 CZ ARG A 121 45.601 46.425 0.389 1.00 0.00 C ATOM 1894 NH1 ARG A 121 46.842 46.560 0.834 1.00 0.00 N ATOM 1895 NH2 ARG A 121 45.002 47.445 -0.213 1.00 0.00 N ATOM 0 H ARG A 121 48.668 40.270 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 121 49.078 42.760 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 121 46.464 41.291 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 121 46.807 42.096 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 121 47.439 44.081 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 121 46.162 43.249 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 121 44.752 43.391 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 121 46.004 44.401 2.133 1.00 0.00 H new ATOM 0 HE ARG A 121 44.004 45.202 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 121 47.306 45.778 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 121 47.333 47.446 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 121 44.047 47.345 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 121 45.496 48.329 -0.331 1.00 0.00 H new ATOM 1909 N LEU A 122 50.291 40.486 1.715 1.00 0.00 N ATOM 1910 CA LEU A 122 50.884 39.572 2.684 1.00 0.00 C ATOM 1911 C LEU A 122 51.820 40.314 3.632 1.00 0.00 C ATOM 1912 O LEU A 122 52.812 40.905 3.204 1.00 0.00 O ATOM 1913 CB LEU A 122 51.647 38.459 1.963 1.00 0.00 C ATOM 1914 CG LEU A 122 50.856 37.182 1.674 1.00 0.00 C ATOM 1915 CD1 LEU A 122 50.320 37.198 0.251 1.00 0.00 C ATOM 1916 CD2 LEU A 122 51.724 35.953 1.905 1.00 0.00 C ATOM 0 H LEU A 122 50.930 40.798 0.984 1.00 0.00 H new ATOM 0 HA LEU A 122 50.078 39.131 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.019 38.854 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.518 38.195 2.563 1.00 0.00 H new ATOM 0 HG LEU A 122 50.010 37.138 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 122 49.760 36.282 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 122 49.664 38.058 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 122 51.152 37.265 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 122 51.145 35.054 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 122 52.590 35.990 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.059 35.934 2.942 1.00 0.00 H new ATOM 1928 N SER A 123 51.499 40.278 4.921 1.00 0.00 N ATOM 1929 CA SER A 123 52.311 40.949 5.930 1.00 0.00 C ATOM 1930 C SER A 123 52.758 39.967 7.009 1.00 0.00 C ATOM 1931 O SER A 123 51.988 39.109 7.441 1.00 0.00 O ATOM 1932 CB SER A 123 51.526 42.099 6.565 1.00 0.00 C ATOM 1933 OG SER A 123 52.279 42.727 7.588 1.00 0.00 O ATOM 0 H SER A 123 50.683 39.792 5.292 1.00 0.00 H new ATOM 0 HA SER A 123 53.197 41.351 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 123 51.264 42.831 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 123 50.591 41.721 6.978 1.00 0.00 H new ATOM 0 HG SER A 123 51.756 43.459 7.976 1.00 0.00 H new ATOM 1939 N VAL A 124 54.008 40.100 7.439 1.00 0.00 N ATOM 1940 CA VAL A 124 54.560 39.226 8.468 1.00 0.00 C ATOM 1941 C VAL A 124 53.757 39.325 9.761 1.00 0.00 C ATOM 1942 O VAL A 124 53.273 40.398 10.123 1.00 0.00 O ATOM 1943 CB VAL A 124 56.032 39.566 8.763 1.00 0.00 C ATOM 1944 CG1 VAL A 124 56.158 40.991 9.282 1.00 0.00 C ATOM 1945 CG2 VAL A 124 56.619 38.575 9.757 1.00 0.00 C ATOM 0 H VAL A 124 54.658 40.805 7.091 1.00 0.00 H new ATOM 0 HA VAL A 124 54.501 38.208 8.084 1.00 0.00 H new ATOM 0 HB VAL A 124 56.597 39.492 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 124 57.206 41.213 9.485 1.00 0.00 H new ATOM 0 HG12 VAL A 124 55.778 41.686 8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 124 55.580 41.096 10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 124 57.660 38.831 9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 124 56.053 38.615 10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 124 56.565 37.568 9.342 1.00 0.00 H new ATOM 1955 N LYS A 125 53.621 38.200 10.454 1.00 0.00 N ATOM 1956 CA LYS A 125 52.879 38.159 11.708 1.00 0.00 C ATOM 1957 C LYS A 125 53.794 37.782 12.869 1.00 0.00 C ATOM 1958 O LYS A 125 54.920 37.331 12.662 1.00 0.00 O ATOM 1959 CB LYS A 125 51.725 37.159 11.609 1.00 0.00 C ATOM 1960 CG LYS A 125 52.180 35.717 11.463 1.00 0.00 C ATOM 1961 CD LYS A 125 51.644 34.847 12.587 1.00 0.00 C ATOM 1962 CE LYS A 125 50.125 34.777 12.563 1.00 0.00 C ATOM 1963 NZ LYS A 125 49.618 34.148 11.312 1.00 0.00 N ATOM 0 H LYS A 125 54.015 37.304 10.168 1.00 0.00 H new ATOM 0 HA LYS A 125 52.475 39.154 11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 125 51.102 37.246 12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 125 51.100 37.422 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 125 51.842 35.323 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 125 53.269 35.677 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 125 52.057 33.842 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 125 51.976 35.245 13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 125 49.774 34.208 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 125 49.714 35.782 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 48.614 33.903 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 49.721 34.816 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 50.164 33.286 11.111 1.00 0.00 H new ATOM 1977 N GLU A 126 53.301 37.968 14.090 1.00 0.00 N ATOM 1978 CA GLU A 126 54.076 37.646 15.283 1.00 0.00 C ATOM 1979 C GLU A 126 53.182 37.616 16.520 1.00 0.00 C ATOM 1980 O GLU A 126 51.990 37.914 16.445 1.00 0.00 O ATOM 1981 CB GLU A 126 55.200 38.665 15.478 1.00 0.00 C ATOM 1982 CG GLU A 126 54.718 40.017 15.976 1.00 0.00 C ATOM 1983 CD GLU A 126 55.324 41.173 15.204 1.00 0.00 C ATOM 1984 OE1 GLU A 126 54.910 41.396 14.047 1.00 0.00 O ATOM 1985 OE2 GLU A 126 56.211 41.855 15.757 1.00 0.00 O ATOM 0 H GLU A 126 52.370 38.339 14.279 1.00 0.00 H new ATOM 0 HA GLU A 126 54.512 36.656 15.146 1.00 0.00 H new ATOM 0 HB2 GLU A 126 55.924 38.263 16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 126 55.723 38.802 14.532 1.00 0.00 H new ATOM 0 HG2 GLU A 126 53.632 40.063 15.898 1.00 0.00 H new ATOM 0 HG3 GLU A 126 54.966 40.121 17.032 1.00 0.00 H new ATOM 1992 N ASP A 127 53.767 37.253 17.656 1.00 0.00 N ATOM 1993 CA ASP A 127 53.025 37.184 18.910 1.00 0.00 C ATOM 1994 C ASP A 127 51.925 36.130 18.832 1.00 0.00 C ATOM 1995 O ASP A 127 51.503 35.716 17.752 1.00 0.00 O ATOM 1996 CB ASP A 127 52.420 38.548 19.245 1.00 0.00 C ATOM 1997 CG ASP A 127 53.215 39.290 20.302 1.00 0.00 C ATOM 1998 OD1 ASP A 127 54.405 39.579 20.055 1.00 0.00 O ATOM 1999 OD2 ASP A 127 52.647 39.582 21.375 1.00 0.00 O ATOM 0 H ASP A 127 54.752 37.002 17.735 1.00 0.00 H new ATOM 0 HA ASP A 127 53.720 36.900 19.700 1.00 0.00 H new ATOM 0 HB2 ASP A 127 52.371 39.153 18.340 1.00 0.00 H new ATOM 0 HB3 ASP A 127 51.396 38.412 19.593 1.00 0.00 H new ATOM 2004 N PRO A 128 51.447 35.686 20.004 1.00 0.00 N ATOM 2005 CA PRO A 128 50.390 34.675 20.095 1.00 0.00 C ATOM 2006 C PRO A 128 49.037 35.207 19.635 1.00 0.00 C ATOM 2007 O PRO A 128 48.829 36.418 19.561 1.00 0.00 O ATOM 2008 CB PRO A 128 50.351 34.336 21.588 1.00 0.00 C ATOM 2009 CG PRO A 128 50.881 35.551 22.266 1.00 0.00 C ATOM 2010 CD PRO A 128 51.903 36.136 21.330 1.00 0.00 C ATOM 0 HA PRO A 128 50.591 33.817 19.454 1.00 0.00 H new ATOM 0 HB2 PRO A 128 49.336 34.110 21.916 1.00 0.00 H new ATOM 0 HB3 PRO A 128 50.961 33.460 21.811 1.00 0.00 H new ATOM 0 HG2 PRO A 128 50.082 36.265 22.467 1.00 0.00 H new ATOM 0 HG3 PRO A 128 51.331 35.297 23.226 1.00 0.00 H new ATOM 0 HD2 PRO A 128 51.933 37.224 21.397 1.00 0.00 H new ATOM 0 HD3 PRO A 128 52.907 35.775 21.554 1.00 0.00 H new TER 2018 PRO A 128