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 87 THR OG1 : rot 60:sc= 0.109 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.57! C(o=-1.5!,f=-6.9!) USER MOD Set 2.1: A 70 MET CE :methyl 162:sc= -0.276 (180deg=-0.439) USER MOD Set 2.2: A 78 MET CE :methyl -159:sc= -0.354 (180deg=-0.98) USER MOD Set 3.1: A 57 TYR OH : rot 130:sc= -0.0334 USER MOD Set 3.2: A 98 HIS : no HD1:sc= -0.424 K(o=-0.46,f=-1.4) USER MOD Set 4.1: A 42 THR OG1 : rot -67:sc= 1.36 USER MOD Set 4.2: A 45 HIS : no HD1:sc= 0.21 K(o=1.6,f=-3.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00553 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.00835 K(o=-0.0084,f=-0.78) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= 1.23 F(o=-0.032,f=1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 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= -0.173 K(o=-0.17,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.0939 X(o=-0.094,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 49:sc= 0.969 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 28 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.39) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 65 SER OG : rot 180:sc= 0.115 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.954 X(o=-0.95,f=-0.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -31:sc= 0.965 USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= -0.0267 (180deg=-0.96) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.061 (180deg=-0.276) 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 64:sc= 0.136 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.571 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 113 THR OG1 : rot 170:sc= -0.312 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 117.273 32.656 -19.851 1.00 0.00 N ATOM 2 CA GLY A 1 116.607 33.873 -19.425 1.00 0.00 C ATOM 3 C GLY A 1 115.097 33.752 -19.465 1.00 0.00 C ATOM 4 O GLY A 1 114.512 33.528 -20.525 1.00 0.00 O ATOM 0 H1 GLY A 1 118.303 32.790 -19.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 116.998 31.872 -19.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 116.996 32.432 -20.828 1.00 0.00 H new ATOM 0 HA2 GLY A 1 116.922 34.120 -18.411 1.00 0.00 H new ATOM 0 HA3 GLY A 1 116.919 34.698 -20.066 1.00 0.00 H new ATOM 8 N SER A 2 114.462 33.899 -18.306 1.00 0.00 N ATOM 9 CA SER A 2 113.011 33.799 -18.211 1.00 0.00 C ATOM 10 C SER A 2 112.477 34.684 -17.089 1.00 0.00 C ATOM 11 O SER A 2 113.221 35.459 -16.488 1.00 0.00 O ATOM 12 CB SER A 2 112.593 32.347 -17.972 1.00 0.00 C ATOM 13 OG SER A 2 111.349 32.065 -18.591 1.00 0.00 O ATOM 0 H SER A 2 114.930 34.088 -17.420 1.00 0.00 H new ATOM 0 HA SER A 2 112.586 34.142 -19.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 113.358 31.676 -18.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.521 32.158 -16.901 1.00 0.00 H new ATOM 0 HG SER A 2 111.105 31.130 -18.425 1.00 0.00 H new ATOM 19 N SER A 3 111.183 34.564 -16.813 1.00 0.00 N ATOM 20 CA SER A 3 110.547 35.356 -15.766 1.00 0.00 C ATOM 21 C SER A 3 110.651 36.846 -16.074 1.00 0.00 C ATOM 22 O SER A 3 111.192 37.242 -17.105 1.00 0.00 O ATOM 23 CB SER A 3 111.190 35.057 -14.410 1.00 0.00 C ATOM 24 OG SER A 3 111.390 33.665 -14.236 1.00 0.00 O ATOM 0 H SER A 3 110.554 33.926 -17.300 1.00 0.00 H new ATOM 0 HA SER A 3 109.492 35.084 -15.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 112.145 35.577 -14.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 110.555 35.439 -13.611 1.00 0.00 H new ATOM 0 HG SER A 3 111.804 33.501 -13.363 1.00 0.00 H new ATOM 30 N GLY A 4 110.128 37.669 -15.170 1.00 0.00 N ATOM 31 CA GLY A 4 110.171 39.107 -15.362 1.00 0.00 C ATOM 32 C GLY A 4 108.815 39.687 -15.708 1.00 0.00 C ATOM 33 O GLY A 4 108.109 39.161 -16.570 1.00 0.00 O ATOM 0 H GLY A 4 109.675 37.365 -14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 110.544 39.581 -14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 110.877 39.343 -16.158 1.00 0.00 H new ATOM 37 N SER A 5 108.447 40.772 -15.035 1.00 0.00 N ATOM 38 CA SER A 5 107.163 41.421 -15.273 1.00 0.00 C ATOM 39 C SER A 5 107.150 42.830 -14.688 1.00 0.00 C ATOM 40 O SER A 5 107.943 43.155 -13.804 1.00 0.00 O ATOM 41 CB SER A 5 106.029 40.593 -14.665 1.00 0.00 C ATOM 42 OG SER A 5 106.528 39.659 -13.723 1.00 0.00 O ATOM 0 H SER A 5 109.020 41.221 -14.320 1.00 0.00 H new ATOM 0 HA SER A 5 107.014 41.493 -16.350 1.00 0.00 H new ATOM 0 HB2 SER A 5 105.311 41.255 -14.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 105.494 40.067 -15.456 1.00 0.00 H new ATOM 0 HG SER A 5 105.784 39.143 -13.348 1.00 0.00 H new ATOM 48 N SER A 6 106.242 43.663 -15.188 1.00 0.00 N ATOM 49 CA SER A 6 106.127 45.039 -14.719 1.00 0.00 C ATOM 50 C SER A 6 104.677 45.511 -14.771 1.00 0.00 C ATOM 51 O SER A 6 103.777 44.750 -15.127 1.00 0.00 O ATOM 52 CB SER A 6 107.007 45.963 -15.562 1.00 0.00 C ATOM 53 OG SER A 6 106.284 46.495 -16.659 1.00 0.00 O ATOM 0 H SER A 6 105.576 43.409 -15.917 1.00 0.00 H new ATOM 0 HA SER A 6 106.465 45.073 -13.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 107.384 46.776 -14.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 107.874 45.412 -15.927 1.00 0.00 H new ATOM 0 HG SER A 6 106.868 47.084 -17.181 1.00 0.00 H new ATOM 59 N GLY A 7 104.458 46.772 -14.414 1.00 0.00 N ATOM 60 CA GLY A 7 103.117 47.325 -14.427 1.00 0.00 C ATOM 61 C GLY A 7 102.821 48.158 -13.195 1.00 0.00 C ATOM 62 O GLY A 7 103.307 47.860 -12.105 1.00 0.00 O ATOM 0 H GLY A 7 105.186 47.421 -14.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 102.990 47.941 -15.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 102.393 46.513 -14.495 1.00 0.00 H new ATOM 66 N MET A 8 102.022 49.206 -13.369 1.00 0.00 N ATOM 67 CA MET A 8 101.663 50.085 -12.262 1.00 0.00 C ATOM 68 C MET A 8 100.440 50.928 -12.612 1.00 0.00 C ATOM 69 O MET A 8 100.206 51.244 -13.777 1.00 0.00 O ATOM 70 CB MET A 8 102.839 50.995 -11.903 1.00 0.00 C ATOM 71 CG MET A 8 102.645 51.752 -10.599 1.00 0.00 C ATOM 72 SD MET A 8 104.193 52.014 -9.712 1.00 0.00 S ATOM 73 CE MET A 8 103.594 52.763 -8.200 1.00 0.00 C ATOM 0 H MET A 8 101.611 49.467 -14.265 1.00 0.00 H new ATOM 0 HA MET A 8 101.419 49.463 -11.401 1.00 0.00 H new ATOM 0 HB2 MET A 8 103.745 50.393 -11.833 1.00 0.00 H new ATOM 0 HB3 MET A 8 102.993 51.711 -12.710 1.00 0.00 H new ATOM 0 HG2 MET A 8 102.183 52.717 -10.809 1.00 0.00 H new ATOM 0 HG3 MET A 8 101.954 51.200 -9.962 1.00 0.00 H new ATOM 0 HE1 MET A 8 104.437 52.985 -7.545 1.00 0.00 H new ATOM 0 HE2 MET A 8 103.065 53.687 -8.436 1.00 0.00 H new ATOM 0 HE3 MET A 8 102.915 52.075 -7.697 1.00 0.00 H new ATOM 83 N ASN A 9 99.665 51.288 -11.595 1.00 0.00 N ATOM 84 CA ASN A 9 98.466 52.093 -11.795 1.00 0.00 C ATOM 85 C ASN A 9 97.989 52.697 -10.478 1.00 0.00 C ATOM 86 O ASN A 9 98.050 52.053 -9.430 1.00 0.00 O ATOM 87 CB ASN A 9 97.353 51.244 -12.412 1.00 0.00 C ATOM 88 CG ASN A 9 97.195 49.905 -11.718 1.00 0.00 C ATOM 89 OD1 ASN A 9 97.984 48.985 -11.933 1.00 0.00 O ATOM 90 ND2 ASN A 9 96.171 49.790 -10.880 1.00 0.00 N ATOM 0 H ASN A 9 99.846 51.035 -10.624 1.00 0.00 H new ATOM 0 HA ASN A 9 98.715 52.906 -12.477 1.00 0.00 H new ATOM 0 HB2 ASN A 9 96.411 51.791 -12.360 1.00 0.00 H new ATOM 0 HB3 ASN A 9 97.568 51.080 -13.468 1.00 0.00 H new ATOM 0 HD21 ASN A 9 96.014 48.913 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 9 95.542 50.579 -10.732 1.00 0.00 H new ATOM 97 N TYR A 10 97.514 53.936 -10.539 1.00 0.00 N ATOM 98 CA TYR A 10 97.028 54.627 -9.351 1.00 0.00 C ATOM 99 C TYR A 10 95.535 54.918 -9.462 1.00 0.00 C ATOM 100 O TYR A 10 95.080 55.529 -10.429 1.00 0.00 O ATOM 101 CB TYR A 10 97.799 55.932 -9.144 1.00 0.00 C ATOM 102 CG TYR A 10 98.522 56.004 -7.818 1.00 0.00 C ATOM 103 CD1 TYR A 10 99.775 55.427 -7.655 1.00 0.00 C ATOM 104 CD2 TYR A 10 97.952 56.651 -6.728 1.00 0.00 C ATOM 105 CE1 TYR A 10 100.439 55.490 -6.445 1.00 0.00 C ATOM 106 CE2 TYR A 10 98.609 56.720 -5.514 1.00 0.00 C ATOM 107 CZ TYR A 10 99.852 56.138 -5.378 1.00 0.00 C ATOM 108 OH TYR A 10 100.511 56.204 -4.171 1.00 0.00 O ATOM 0 H TYR A 10 97.455 54.482 -11.398 1.00 0.00 H new ATOM 0 HA TYR A 10 97.190 53.976 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 10 98.523 56.048 -9.950 1.00 0.00 H new ATOM 0 HB3 TYR A 10 97.105 56.770 -9.216 1.00 0.00 H new ATOM 0 HD1 TYR A 10 100.238 54.920 -8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 10 96.979 57.108 -6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 10 101.412 55.035 -6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 10 98.152 57.227 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 10 99.962 56.695 -3.525 1.00 0.00 H new ATOM 118 N ASN A 11 94.776 54.477 -8.464 1.00 0.00 N ATOM 119 CA ASN A 11 93.334 54.689 -8.448 1.00 0.00 C ATOM 120 C ASN A 11 92.782 54.572 -7.030 1.00 0.00 C ATOM 121 O ASN A 11 92.630 53.472 -6.501 1.00 0.00 O ATOM 122 CB ASN A 11 92.638 53.678 -9.362 1.00 0.00 C ATOM 123 CG ASN A 11 91.919 54.344 -10.519 1.00 0.00 C ATOM 124 OD1 ASN A 11 90.615 54.113 -10.616 1.00 0.00 O flip ATOM 125 ND2 ASN A 11 92.528 55.059 -11.315 1.00 0.00 N flip ATOM 0 H ASN A 11 95.136 53.970 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 11 93.137 55.696 -8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 11 93.376 52.977 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 11 91.923 53.097 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 11 93.531 55.209 -11.202 1.00 0.00 H new ATOM 0 HD22 ASN A 11 92.030 55.501 -12.087 1.00 0.00 H new ATOM 132 N SER A 12 92.484 55.716 -6.421 1.00 0.00 N ATOM 133 CA SER A 12 91.953 55.743 -5.064 1.00 0.00 C ATOM 134 C SER A 12 90.991 56.913 -4.880 1.00 0.00 C ATOM 135 O SER A 12 91.195 57.768 -4.018 1.00 0.00 O ATOM 136 CB SER A 12 93.093 55.840 -4.048 1.00 0.00 C ATOM 137 OG SER A 12 94.148 56.647 -4.543 1.00 0.00 O ATOM 0 H SER A 12 92.602 56.636 -6.846 1.00 0.00 H new ATOM 0 HA SER A 12 91.406 54.815 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 12 92.718 56.259 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 12 93.469 54.842 -3.822 1.00 0.00 H new ATOM 0 HG SER A 12 94.864 56.695 -3.875 1.00 0.00 H new ATOM 143 N TYR A 13 89.944 56.944 -5.696 1.00 0.00 N ATOM 144 CA TYR A 13 88.952 58.010 -5.627 1.00 0.00 C ATOM 145 C TYR A 13 87.711 57.550 -4.868 1.00 0.00 C ATOM 146 O TYR A 13 87.620 56.399 -4.443 1.00 0.00 O ATOM 147 CB TYR A 13 88.563 58.466 -7.034 1.00 0.00 C ATOM 148 CG TYR A 13 89.415 59.598 -7.561 1.00 0.00 C ATOM 149 CD1 TYR A 13 90.665 59.354 -8.116 1.00 0.00 C ATOM 150 CD2 TYR A 13 88.969 60.913 -7.504 1.00 0.00 C ATOM 151 CE1 TYR A 13 91.447 60.386 -8.597 1.00 0.00 C ATOM 152 CE2 TYR A 13 89.744 61.951 -7.984 1.00 0.00 C ATOM 153 CZ TYR A 13 90.982 61.683 -8.530 1.00 0.00 C ATOM 154 OH TYR A 13 91.757 62.713 -9.009 1.00 0.00 O ATOM 0 H TYR A 13 89.760 56.243 -6.413 1.00 0.00 H new ATOM 0 HA TYR A 13 89.394 58.849 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 13 88.638 57.618 -7.715 1.00 0.00 H new ATOM 0 HB3 TYR A 13 87.519 58.780 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 13 91.032 58.340 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 13 88.000 61.127 -7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 13 92.417 60.179 -9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 13 89.382 62.967 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 13 91.283 63.562 -8.888 1.00 0.00 H new ATOM 164 N MET A 14 86.756 58.460 -4.702 1.00 0.00 N ATOM 165 CA MET A 14 85.518 58.148 -3.997 1.00 0.00 C ATOM 166 C MET A 14 84.390 59.073 -4.443 1.00 0.00 C ATOM 167 O MET A 14 84.609 60.258 -4.693 1.00 0.00 O ATOM 168 CB MET A 14 85.724 58.267 -2.485 1.00 0.00 C ATOM 169 CG MET A 14 86.132 59.661 -2.036 1.00 0.00 C ATOM 170 SD MET A 14 86.424 59.760 -0.259 1.00 0.00 S ATOM 171 CE MET A 14 88.029 60.554 -0.224 1.00 0.00 C ATOM 0 H MET A 14 86.816 59.418 -5.046 1.00 0.00 H new ATOM 0 HA MET A 14 85.239 57.122 -4.239 1.00 0.00 H new ATOM 0 HB2 MET A 14 84.801 57.986 -1.977 1.00 0.00 H new ATOM 0 HB3 MET A 14 86.489 57.555 -2.173 1.00 0.00 H new ATOM 0 HG2 MET A 14 87.036 59.959 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 14 85.352 60.370 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 14 88.348 60.685 0.810 1.00 0.00 H new ATOM 0 HE2 MET A 14 88.754 59.933 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 14 87.964 61.528 -0.710 1.00 0.00 H new ATOM 181 N ASP A 15 83.185 58.524 -4.540 1.00 0.00 N ATOM 182 CA ASP A 15 82.022 59.300 -4.956 1.00 0.00 C ATOM 183 C ASP A 15 80.746 58.473 -4.838 1.00 0.00 C ATOM 184 O ASP A 15 80.574 57.477 -5.540 1.00 0.00 O ATOM 185 CB ASP A 15 82.196 59.790 -6.394 1.00 0.00 C ATOM 186 CG ASP A 15 81.009 60.598 -6.879 1.00 0.00 C ATOM 187 OD1 ASP A 15 80.319 61.204 -6.032 1.00 0.00 O ATOM 188 OD2 ASP A 15 80.769 60.624 -8.104 1.00 0.00 O ATOM 0 H ASP A 15 82.987 57.544 -4.336 1.00 0.00 H new ATOM 0 HA ASP A 15 81.937 60.162 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 15 83.098 60.399 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 15 82.341 58.933 -7.052 1.00 0.00 H new ATOM 193 N GLU A 16 79.855 58.892 -3.945 1.00 0.00 N ATOM 194 CA GLU A 16 78.595 58.188 -3.735 1.00 0.00 C ATOM 195 C GLU A 16 77.407 59.117 -3.967 1.00 0.00 C ATOM 196 O GLU A 16 77.477 60.315 -3.689 1.00 0.00 O ATOM 197 CB GLU A 16 78.538 57.612 -2.318 1.00 0.00 C ATOM 198 CG GLU A 16 78.398 58.670 -1.237 1.00 0.00 C ATOM 199 CD GLU A 16 78.714 58.135 0.147 1.00 0.00 C ATOM 200 OE1 GLU A 16 79.571 57.233 0.253 1.00 0.00 O ATOM 201 OE2 GLU A 16 78.105 58.619 1.123 1.00 0.00 O ATOM 0 H GLU A 16 79.982 59.715 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 16 78.540 57.371 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 16 77.698 56.921 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 16 79.443 57.033 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.064 59.503 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 77.381 59.063 -1.247 1.00 0.00 H new ATOM 208 N LYS A 17 76.316 58.557 -4.478 1.00 0.00 N ATOM 209 CA LYS A 17 75.111 59.333 -4.747 1.00 0.00 C ATOM 210 C LYS A 17 74.200 59.364 -3.525 1.00 0.00 C ATOM 211 O LYS A 17 73.473 58.408 -3.257 1.00 0.00 O ATOM 212 CB LYS A 17 74.359 58.745 -5.943 1.00 0.00 C ATOM 213 CG LYS A 17 73.278 59.661 -6.491 1.00 0.00 C ATOM 214 CD LYS A 17 73.873 60.873 -7.187 1.00 0.00 C ATOM 215 CE LYS A 17 73.282 62.169 -6.654 1.00 0.00 C ATOM 216 NZ LYS A 17 73.128 63.191 -7.726 1.00 0.00 N ATOM 0 H LYS A 17 76.241 57.568 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 17 75.411 60.355 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.072 58.523 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.906 57.799 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.653 59.108 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 17 72.631 59.989 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.954 60.880 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.691 60.803 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 72.311 61.967 -6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.923 62.563 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 72.722 64.059 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 74.058 63.403 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 72.496 62.825 -8.466 1.00 0.00 H new ATOM 230 N ASN A 18 74.243 60.469 -2.788 1.00 0.00 N ATOM 231 CA ASN A 18 73.419 60.625 -1.594 1.00 0.00 C ATOM 232 C ASN A 18 72.079 61.268 -1.938 1.00 0.00 C ATOM 233 O ASN A 18 72.028 62.385 -2.452 1.00 0.00 O ATOM 234 CB ASN A 18 74.152 61.471 -0.551 1.00 0.00 C ATOM 235 CG ASN A 18 74.898 60.624 0.461 1.00 0.00 C ATOM 236 OD1 ASN A 18 74.476 59.514 0.789 1.00 0.00 O ATOM 237 ND2 ASN A 18 76.012 61.144 0.961 1.00 0.00 N ATOM 0 H ASN A 18 74.839 61.270 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 18 73.230 59.634 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.856 62.134 -1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.433 62.104 -0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 18 76.557 60.620 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 18 76.324 62.067 0.660 1.00 0.00 H new ATOM 244 N GLY A 19 70.995 60.555 -1.649 1.00 0.00 N ATOM 245 CA GLY A 19 69.669 61.072 -1.934 1.00 0.00 C ATOM 246 C GLY A 19 68.985 61.624 -0.699 1.00 0.00 C ATOM 247 O GLY A 19 69.445 61.438 0.427 1.00 0.00 O ATOM 0 H GLY A 19 71.011 59.629 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 19 69.742 61.857 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 19 69.056 60.278 -2.361 1.00 0.00 H new ATOM 251 N PRO A 20 67.858 62.322 -0.905 1.00 0.00 N ATOM 252 CA PRO A 20 67.086 62.919 0.189 1.00 0.00 C ATOM 253 C PRO A 20 66.393 61.868 1.050 1.00 0.00 C ATOM 254 O PRO A 20 66.314 60.693 0.693 1.00 0.00 O ATOM 255 CB PRO A 20 66.051 63.782 -0.537 1.00 0.00 C ATOM 256 CG PRO A 20 65.901 63.147 -1.877 1.00 0.00 C ATOM 257 CD PRO A 20 67.252 62.583 -2.221 1.00 0.00 C ATOM 0 HA PRO A 20 67.720 63.478 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 20 65.103 63.800 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 20 66.388 64.815 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 20 65.145 62.362 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 20 65.582 63.877 -2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 20 67.168 61.671 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 20 67.845 63.288 -2.804 1.00 0.00 H new ATOM 265 N PRO A 21 65.880 62.299 2.211 1.00 0.00 N ATOM 266 CA PRO A 21 65.184 61.410 3.147 1.00 0.00 C ATOM 267 C PRO A 21 63.834 60.946 2.610 1.00 0.00 C ATOM 268 O PRO A 21 63.326 61.458 1.612 1.00 0.00 O ATOM 269 CB PRO A 21 64.992 62.283 4.390 1.00 0.00 C ATOM 270 CG PRO A 21 64.999 63.681 3.875 1.00 0.00 C ATOM 271 CD PRO A 21 65.938 63.686 2.701 1.00 0.00 C ATOM 0 HA PRO A 21 65.746 60.495 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 21 64.054 62.052 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 21 65.792 62.123 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 21 63.998 63.991 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 21 65.332 64.378 4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 21 65.622 64.396 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 21 66.949 63.966 2.997 1.00 0.00 H new ATOM 279 N PRO A 22 63.238 59.952 3.285 1.00 0.00 N ATOM 280 CA PRO A 22 63.834 59.333 4.473 1.00 0.00 C ATOM 281 C PRO A 22 65.065 58.498 4.137 1.00 0.00 C ATOM 282 O PRO A 22 65.346 58.203 2.975 1.00 0.00 O ATOM 283 CB PRO A 22 62.712 58.440 5.008 1.00 0.00 C ATOM 284 CG PRO A 22 61.870 58.135 3.818 1.00 0.00 C ATOM 285 CD PRO A 22 61.937 59.354 2.940 1.00 0.00 C ATOM 0 HA PRO A 22 64.183 60.078 5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 22 63.110 57.529 5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 22 62.136 58.949 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 22 62.241 57.255 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 22 60.842 57.921 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 22 61.883 59.092 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 22 61.114 60.040 3.141 1.00 0.00 H new ATOM 293 N PRO A 23 65.818 58.108 5.176 1.00 0.00 N ATOM 294 CA PRO A 23 67.031 57.300 5.015 1.00 0.00 C ATOM 295 C PRO A 23 66.723 55.873 4.576 1.00 0.00 C ATOM 296 O PRO A 23 65.842 55.219 5.132 1.00 0.00 O ATOM 297 CB PRO A 23 67.650 57.307 6.415 1.00 0.00 C ATOM 298 CG PRO A 23 66.501 57.539 7.336 1.00 0.00 C ATOM 299 CD PRO A 23 65.543 58.424 6.587 1.00 0.00 C ATOM 0 HA PRO A 23 67.687 57.700 4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 23 68.147 56.362 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 23 68.400 58.092 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 23 66.027 56.598 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 23 66.831 58.014 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 23 64.508 58.210 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 23 65.716 59.478 6.804 1.00 0.00 H new ATOM 307 N ASN A 24 67.455 55.396 3.574 1.00 0.00 N ATOM 308 CA ASN A 24 67.259 54.045 3.060 1.00 0.00 C ATOM 309 C ASN A 24 68.287 53.085 3.650 1.00 0.00 C ATOM 310 O ASN A 24 67.931 52.069 4.247 1.00 0.00 O ATOM 311 CB ASN A 24 67.356 54.039 1.533 1.00 0.00 C ATOM 312 CG ASN A 24 67.359 52.635 0.959 1.00 0.00 C ATOM 313 OD1 ASN A 24 68.195 52.297 0.122 1.00 0.00 O ATOM 314 ND2 ASN A 24 66.420 51.811 1.409 1.00 0.00 N ATOM 0 H ASN A 24 68.189 55.925 3.102 1.00 0.00 H new ATOM 0 HA ASN A 24 66.264 53.711 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 24 66.518 54.597 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 24 68.266 54.555 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 24 66.371 50.854 1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 24 65.747 52.135 2.104 1.00 0.00 H new ATOM 321 N MET A 25 69.563 53.414 3.478 1.00 0.00 N ATOM 322 CA MET A 25 70.643 52.582 3.995 1.00 0.00 C ATOM 323 C MET A 25 70.612 51.195 3.361 1.00 0.00 C ATOM 324 O MET A 25 69.800 50.923 2.476 1.00 0.00 O ATOM 325 CB MET A 25 70.539 52.461 5.517 1.00 0.00 C ATOM 326 CG MET A 25 71.819 52.840 6.245 1.00 0.00 C ATOM 327 SD MET A 25 71.763 52.439 8.002 1.00 0.00 S ATOM 328 CE MET A 25 73.420 52.894 8.506 1.00 0.00 C ATOM 0 H MET A 25 69.874 54.251 2.985 1.00 0.00 H new ATOM 0 HA MET A 25 71.589 53.059 3.739 1.00 0.00 H new ATOM 0 HB2 MET A 25 69.728 53.098 5.869 1.00 0.00 H new ATOM 0 HB3 MET A 25 70.274 51.436 5.775 1.00 0.00 H new ATOM 0 HG2 MET A 25 72.661 52.323 5.785 1.00 0.00 H new ATOM 0 HG3 MET A 25 71.998 53.909 6.126 1.00 0.00 H new ATOM 0 HE1 MET A 25 73.541 52.703 9.572 1.00 0.00 H new ATOM 0 HE2 MET A 25 74.146 52.303 7.947 1.00 0.00 H new ATOM 0 HE3 MET A 25 73.583 53.953 8.306 1.00 0.00 H new ATOM 338 N THR A 26 71.501 50.319 3.818 1.00 0.00 N ATOM 339 CA THR A 26 71.576 48.961 3.295 1.00 0.00 C ATOM 340 C THR A 26 72.010 47.978 4.376 1.00 0.00 C ATOM 341 O THR A 26 73.168 47.562 4.424 1.00 0.00 O ATOM 342 CB THR A 26 72.556 48.869 2.110 1.00 0.00 C ATOM 343 OG1 THR A 26 73.878 49.212 2.540 1.00 0.00 O ATOM 344 CG2 THR A 26 72.129 49.795 0.981 1.00 0.00 C ATOM 0 H THR A 26 72.180 50.526 4.550 1.00 0.00 H new ATOM 0 HA THR A 26 70.575 48.699 2.951 1.00 0.00 H new ATOM 0 HB THR A 26 72.549 47.844 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 26 74.097 48.713 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 26 72.836 49.713 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 26 71.134 49.513 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 26 72.110 50.824 1.341 1.00 0.00 H new ATOM 352 N THR A 27 71.073 47.608 5.243 1.00 0.00 N ATOM 353 CA THR A 27 71.359 46.673 6.325 1.00 0.00 C ATOM 354 C THR A 27 71.314 45.232 5.832 1.00 0.00 C ATOM 355 O THR A 27 72.350 44.585 5.683 1.00 0.00 O ATOM 356 CB THR A 27 70.362 46.837 7.487 1.00 0.00 C ATOM 357 OG1 THR A 27 69.050 47.097 6.975 1.00 0.00 O ATOM 358 CG2 THR A 27 70.785 47.972 8.408 1.00 0.00 C ATOM 0 H THR A 27 70.109 47.941 5.217 1.00 0.00 H new ATOM 0 HA THR A 27 72.363 46.901 6.683 1.00 0.00 H new ATOM 0 HB THR A 27 70.351 45.910 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 27 68.422 47.198 7.721 1.00 0.00 H new ATOM 0 HG21 THR A 27 70.065 48.068 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 27 71.771 47.758 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 27 70.822 48.904 7.844 1.00 0.00 H new ATOM 366 N ASN A 28 70.108 44.735 5.578 1.00 0.00 N ATOM 367 CA ASN A 28 69.929 43.368 5.101 1.00 0.00 C ATOM 368 C ASN A 28 68.764 43.283 4.120 1.00 0.00 C ATOM 369 O ASN A 28 67.740 43.942 4.299 1.00 0.00 O ATOM 370 CB ASN A 28 69.689 42.422 6.279 1.00 0.00 C ATOM 371 CG ASN A 28 70.822 42.453 7.286 1.00 0.00 C ATOM 372 OD1 ASN A 28 71.924 41.977 7.012 1.00 0.00 O ATOM 373 ND2 ASN A 28 70.556 43.014 8.460 1.00 0.00 N ATOM 0 H ASN A 28 69.240 45.258 5.694 1.00 0.00 H new ATOM 0 HA ASN A 28 70.840 43.068 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 28 68.758 42.694 6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 28 69.566 41.405 5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 28 71.279 43.063 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 28 69.628 43.396 8.644 1.00 0.00 H new ATOM 380 N GLU A 29 68.928 42.466 3.084 1.00 0.00 N ATOM 381 CA GLU A 29 67.890 42.295 2.075 1.00 0.00 C ATOM 382 C GLU A 29 68.255 41.177 1.103 1.00 0.00 C ATOM 383 O GLU A 29 68.751 41.432 0.005 1.00 0.00 O ATOM 384 CB GLU A 29 67.672 43.601 1.309 1.00 0.00 C ATOM 385 CG GLU A 29 66.568 43.519 0.267 1.00 0.00 C ATOM 386 CD GLU A 29 65.226 43.981 0.802 1.00 0.00 C ATOM 387 OE1 GLU A 29 65.154 45.111 1.327 1.00 0.00 O ATOM 388 OE2 GLU A 29 64.249 43.211 0.695 1.00 0.00 O ATOM 0 H GLU A 29 69.769 41.913 2.922 1.00 0.00 H new ATOM 0 HA GLU A 29 66.966 42.023 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 29 67.432 44.393 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 29 68.603 43.884 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 29 66.841 44.128 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 29 66.481 42.491 -0.084 1.00 0.00 H new ATOM 395 N ARG A 30 68.006 39.938 1.514 1.00 0.00 N ATOM 396 CA ARG A 30 68.310 38.781 0.681 1.00 0.00 C ATOM 397 C ARG A 30 67.070 37.916 0.479 1.00 0.00 C ATOM 398 O ARG A 30 66.905 36.887 1.134 1.00 0.00 O ATOM 399 CB ARG A 30 69.427 37.949 1.314 1.00 0.00 C ATOM 400 CG ARG A 30 70.217 37.126 0.310 1.00 0.00 C ATOM 401 CD ARG A 30 70.890 35.934 0.973 1.00 0.00 C ATOM 402 NE ARG A 30 72.157 36.300 1.600 1.00 0.00 N ATOM 403 CZ ARG A 30 73.071 35.414 1.981 1.00 0.00 C ATOM 404 NH1 ARG A 30 72.859 34.118 1.800 1.00 0.00 N ATOM 405 NH2 ARG A 30 74.200 35.825 2.545 1.00 0.00 N ATOM 0 H ARG A 30 67.594 39.710 2.419 1.00 0.00 H new ATOM 0 HA ARG A 30 68.642 39.143 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 30 70.109 38.615 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 30 68.994 37.281 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 30 69.552 36.777 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 30 70.971 37.754 -0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 30 70.222 35.512 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 30 71.065 35.156 0.229 1.00 0.00 H new ATOM 0 HE ARG A 30 72.351 37.290 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 30 71.992 33.799 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 30 73.563 33.440 2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 30 74.366 36.821 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 30 74.901 35.144 2.837 1.00 0.00 H new ATOM 419 N ARG A 31 66.200 38.341 -0.432 1.00 0.00 N ATOM 420 CA ARG A 31 64.974 37.606 -0.719 1.00 0.00 C ATOM 421 C ARG A 31 64.526 37.837 -2.159 1.00 0.00 C ATOM 422 O ARG A 31 63.337 37.770 -2.470 1.00 0.00 O ATOM 423 CB ARG A 31 63.864 38.028 0.245 1.00 0.00 C ATOM 424 CG ARG A 31 63.145 36.858 0.897 1.00 0.00 C ATOM 425 CD ARG A 31 61.684 37.181 1.165 1.00 0.00 C ATOM 426 NE ARG A 31 61.223 36.622 2.433 1.00 0.00 N ATOM 427 CZ ARG A 31 60.104 37.000 3.040 1.00 0.00 C ATOM 428 NH1 ARG A 31 59.334 37.933 2.497 1.00 0.00 N ATOM 429 NH2 ARG A 31 59.752 36.444 4.192 1.00 0.00 N ATOM 0 H ARG A 31 66.322 39.190 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 31 65.178 36.543 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 31 64.291 38.660 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 31 63.137 38.635 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 31 63.213 35.983 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 31 63.640 36.602 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 31 61.548 38.262 1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 31 61.071 36.790 0.353 1.00 0.00 H new ATOM 0 HE ARG A 31 61.792 35.901 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 31 59.601 38.362 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 31 58.475 38.221 2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 31 60.341 35.725 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 31 58.892 36.735 4.657 1.00 0.00 H new ATOM 443 N VAL A 32 65.488 38.110 -3.036 1.00 0.00 N ATOM 444 CA VAL A 32 65.193 38.351 -4.443 1.00 0.00 C ATOM 445 C VAL A 32 66.475 38.492 -5.256 1.00 0.00 C ATOM 446 O VAL A 32 67.425 39.148 -4.827 1.00 0.00 O ATOM 447 CB VAL A 32 64.338 39.618 -4.629 1.00 0.00 C ATOM 448 CG1 VAL A 32 65.103 40.851 -4.173 1.00 0.00 C ATOM 449 CG2 VAL A 32 63.902 39.758 -6.080 1.00 0.00 C ATOM 0 H VAL A 32 66.478 38.170 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 32 64.632 37.488 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 32 63.444 39.526 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.483 41.736 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 32 65.360 40.750 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 32 66.015 40.951 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 32 63.299 40.659 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 32 64.782 39.828 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 32 63.312 38.888 -6.368 1.00 0.00 H new ATOM 459 N ILE A 33 66.494 37.874 -6.432 1.00 0.00 N ATOM 460 CA ILE A 33 67.659 37.933 -7.307 1.00 0.00 C ATOM 461 C ILE A 33 67.454 38.945 -8.428 1.00 0.00 C ATOM 462 O ILE A 33 68.406 39.571 -8.896 1.00 0.00 O ATOM 463 CB ILE A 33 67.970 36.556 -7.923 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.280 36.611 -8.713 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.825 36.106 -8.818 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.820 35.247 -9.081 1.00 0.00 C ATOM 0 H ILE A 33 65.716 37.327 -6.801 1.00 0.00 H new ATOM 0 HA ILE A 33 68.502 38.245 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 33 68.083 35.831 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.122 37.188 -9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.028 37.143 -8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.059 35.131 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.910 36.034 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.684 36.830 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.749 35.362 -9.639 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.010 34.674 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.090 34.721 -9.696 1.00 0.00 H new ATOM 478 N VAL A 34 66.206 39.103 -8.855 1.00 0.00 N ATOM 479 CA VAL A 34 65.874 40.042 -9.920 1.00 0.00 C ATOM 480 C VAL A 34 64.424 40.501 -9.817 1.00 0.00 C ATOM 481 O VAL A 34 63.515 39.713 -9.557 1.00 0.00 O ATOM 482 CB VAL A 34 66.106 39.419 -11.310 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.105 39.967 -12.315 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.533 39.671 -11.775 1.00 0.00 C ATOM 0 H VAL A 34 65.407 38.592 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 34 66.533 40.902 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 34 65.957 38.342 -11.236 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.285 39.515 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.093 39.731 -11.986 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.219 41.048 -12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.679 39.224 -12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.712 40.745 -11.834 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.231 39.225 -11.066 1.00 0.00 H new ATOM 494 N PRO A 35 64.201 41.807 -10.026 1.00 0.00 N ATOM 495 CA PRO A 35 62.862 42.401 -9.962 1.00 0.00 C ATOM 496 C PRO A 35 61.978 41.964 -11.125 1.00 0.00 C ATOM 497 O PRO A 35 60.834 41.558 -10.929 1.00 0.00 O ATOM 498 CB PRO A 35 63.138 43.905 -10.036 1.00 0.00 C ATOM 499 CG PRO A 35 64.445 44.017 -10.742 1.00 0.00 C ATOM 500 CD PRO A 35 65.238 42.804 -10.340 1.00 0.00 C ATOM 0 HA PRO A 35 62.323 42.096 -9.065 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.349 44.426 -10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.186 44.348 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.303 44.050 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.964 44.933 -10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.890 42.465 -11.145 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.874 43.007 -9.478 1.00 0.00 H new ATOM 508 N ALA A 36 62.518 42.050 -12.337 1.00 0.00 N ATOM 509 CA ALA A 36 61.778 41.661 -13.531 1.00 0.00 C ATOM 510 C ALA A 36 62.636 41.815 -14.783 1.00 0.00 C ATOM 511 O ALA A 36 63.076 40.827 -15.371 1.00 0.00 O ATOM 512 CB ALA A 36 60.506 42.486 -13.657 1.00 0.00 C ATOM 0 H ALA A 36 63.464 42.385 -12.517 1.00 0.00 H new ATOM 0 HA ALA A 36 61.508 40.610 -13.434 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.964 42.184 -14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.878 42.323 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.763 43.543 -13.727 1.00 0.00 H new ATOM 518 N ASP A 37 62.870 43.060 -15.184 1.00 0.00 N ATOM 519 CA ASP A 37 63.676 43.343 -16.366 1.00 0.00 C ATOM 520 C ASP A 37 64.921 44.143 -15.995 1.00 0.00 C ATOM 521 O ASP A 37 64.995 44.769 -14.938 1.00 0.00 O ATOM 522 CB ASP A 37 62.851 44.111 -17.400 1.00 0.00 C ATOM 523 CG ASP A 37 62.372 43.224 -18.532 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.846 42.127 -18.246 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.523 43.626 -19.705 1.00 0.00 O ATOM 0 H ASP A 37 62.513 43.889 -14.708 1.00 0.00 H new ATOM 0 HA ASP A 37 63.991 42.393 -16.797 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.990 44.565 -16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.451 44.924 -17.808 1.00 0.00 H new ATOM 530 N PRO A 38 65.925 44.122 -16.885 1.00 0.00 N ATOM 531 CA PRO A 38 67.186 44.839 -16.673 1.00 0.00 C ATOM 532 C PRO A 38 67.013 46.352 -16.757 1.00 0.00 C ATOM 533 O PRO A 38 67.885 47.112 -16.332 1.00 0.00 O ATOM 534 CB PRO A 38 68.075 44.338 -17.814 1.00 0.00 C ATOM 535 CG PRO A 38 67.123 43.918 -18.880 1.00 0.00 C ATOM 536 CD PRO A 38 65.906 43.396 -18.166 1.00 0.00 C ATOM 0 HA PRO A 38 67.598 44.655 -15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.744 45.122 -18.168 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.701 43.506 -17.492 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.866 44.757 -19.527 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.563 43.149 -19.515 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.994 43.596 -18.728 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.959 42.317 -18.018 1.00 0.00 H new ATOM 544 N THR A 39 65.883 46.784 -17.307 1.00 0.00 N ATOM 545 CA THR A 39 65.596 48.206 -17.447 1.00 0.00 C ATOM 546 C THR A 39 65.025 48.782 -16.156 1.00 0.00 C ATOM 547 O THR A 39 65.165 49.975 -15.881 1.00 0.00 O ATOM 548 CB THR A 39 64.604 48.469 -18.595 1.00 0.00 C ATOM 549 OG1 THR A 39 63.403 47.717 -18.387 1.00 0.00 O ATOM 550 CG2 THR A 39 65.217 48.094 -19.936 1.00 0.00 C ATOM 0 H THR A 39 65.151 46.169 -17.663 1.00 0.00 H new ATOM 0 HA THR A 39 66.542 48.698 -17.674 1.00 0.00 H new ATOM 0 HB THR A 39 64.368 49.533 -18.606 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.777 47.891 -19.120 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.498 48.288 -20.732 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.115 48.689 -20.105 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.478 47.036 -19.933 1.00 0.00 H new ATOM 558 N LEU A 40 64.383 47.929 -15.366 1.00 0.00 N ATOM 559 CA LEU A 40 63.791 48.353 -14.102 1.00 0.00 C ATOM 560 C LEU A 40 64.611 47.845 -12.920 1.00 0.00 C ATOM 561 O LEU A 40 64.065 47.288 -11.968 1.00 0.00 O ATOM 562 CB LEU A 40 62.352 47.846 -13.995 1.00 0.00 C ATOM 563 CG LEU A 40 61.419 48.226 -15.145 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.222 47.289 -15.194 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.961 49.671 -15.005 1.00 0.00 C ATOM 0 H LEU A 40 64.259 46.939 -15.578 1.00 0.00 H new ATOM 0 HA LEU A 40 63.788 49.443 -14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.376 46.759 -13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.923 48.223 -13.066 1.00 0.00 H new ATOM 0 HG LEU A 40 61.969 48.129 -16.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.569 47.575 -16.019 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.567 46.266 -15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.671 47.354 -14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.298 49.924 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.428 49.794 -14.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.828 50.331 -15.021 1.00 0.00 H new ATOM 577 N TRP A 41 65.922 48.043 -12.987 1.00 0.00 N ATOM 578 CA TRP A 41 66.816 47.608 -11.921 1.00 0.00 C ATOM 579 C TRP A 41 67.130 48.757 -10.970 1.00 0.00 C ATOM 580 O TRP A 41 66.976 49.927 -11.321 1.00 0.00 O ATOM 581 CB TRP A 41 68.113 47.050 -12.511 1.00 0.00 C ATOM 582 CG TRP A 41 68.117 45.555 -12.628 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.031 44.742 -12.783 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.262 44.697 -12.598 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.432 43.430 -12.851 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.796 43.375 -12.741 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.636 44.915 -12.466 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.655 42.280 -12.754 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.488 43.827 -12.479 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.996 42.523 -12.623 1.00 0.00 C ATOM 0 H TRP A 41 66.390 48.502 -13.769 1.00 0.00 H new ATOM 0 HA TRP A 41 66.313 46.822 -11.358 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.272 47.485 -13.498 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.951 47.361 -11.887 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.007 45.081 -12.843 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.814 42.627 -12.965 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.025 45.916 -12.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.277 41.274 -12.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.552 43.985 -12.376 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.688 41.694 -12.631 1.00 0.00 H new ATOM 601 N THR A 42 67.571 48.417 -9.762 1.00 0.00 N ATOM 602 CA THR A 42 67.905 49.421 -8.760 1.00 0.00 C ATOM 603 C THR A 42 69.403 49.444 -8.483 1.00 0.00 C ATOM 604 O THR A 42 70.146 48.590 -8.966 1.00 0.00 O ATOM 605 CB THR A 42 67.154 49.167 -7.439 1.00 0.00 C ATOM 606 OG1 THR A 42 67.713 48.031 -6.769 1.00 0.00 O ATOM 607 CG2 THR A 42 65.673 48.934 -7.694 1.00 0.00 C ATOM 0 H THR A 42 67.705 47.454 -9.455 1.00 0.00 H new ATOM 0 HA THR A 42 67.598 50.386 -9.164 1.00 0.00 H new ATOM 0 HB THR A 42 67.263 50.050 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.530 47.221 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.164 48.757 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.245 49.812 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.547 48.066 -8.341 1.00 0.00 H new ATOM 615 N GLN A 43 69.841 50.427 -7.703 1.00 0.00 N ATOM 616 CA GLN A 43 71.253 50.561 -7.363 1.00 0.00 C ATOM 617 C GLN A 43 71.744 49.340 -6.591 1.00 0.00 C ATOM 618 O GLN A 43 72.927 49.002 -6.635 1.00 0.00 O ATOM 619 CB GLN A 43 71.483 51.828 -6.537 1.00 0.00 C ATOM 620 CG GLN A 43 71.736 53.066 -7.381 1.00 0.00 C ATOM 621 CD GLN A 43 71.335 54.346 -6.674 1.00 0.00 C ATOM 622 OE1 GLN A 43 71.319 54.411 -5.444 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.009 55.374 -7.449 1.00 0.00 N ATOM 0 H GLN A 43 69.239 51.142 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 43 71.819 50.634 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.613 52.002 -5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.334 51.670 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.794 53.115 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.182 52.983 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.036 55.276 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.732 56.261 -7.029 1.00 0.00 H new ATOM 632 N GLU A 44 70.829 48.684 -5.886 1.00 0.00 N ATOM 633 CA GLU A 44 71.171 47.502 -5.104 1.00 0.00 C ATOM 634 C GLU A 44 71.299 46.274 -6.001 1.00 0.00 C ATOM 635 O GLU A 44 72.061 45.353 -5.706 1.00 0.00 O ATOM 636 CB GLU A 44 70.112 47.252 -4.027 1.00 0.00 C ATOM 637 CG GLU A 44 69.991 48.382 -3.019 1.00 0.00 C ATOM 638 CD GLU A 44 69.399 47.926 -1.700 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.099 47.215 -0.949 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.235 48.281 -1.418 1.00 0.00 O ATOM 0 H GLU A 44 69.846 48.951 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 44 72.133 47.682 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.146 47.100 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.354 46.330 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.977 48.812 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 44 69.369 49.173 -3.438 1.00 0.00 H new ATOM 647 N HIS A 45 70.548 46.269 -7.098 1.00 0.00 N ATOM 648 CA HIS A 45 70.577 45.155 -8.039 1.00 0.00 C ATOM 649 C HIS A 45 71.816 45.225 -8.926 1.00 0.00 C ATOM 650 O HIS A 45 72.291 44.207 -9.429 1.00 0.00 O ATOM 651 CB HIS A 45 69.316 45.158 -8.904 1.00 0.00 C ATOM 652 CG HIS A 45 68.095 44.675 -8.184 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.023 45.490 -7.890 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.778 43.451 -7.700 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.100 44.789 -7.255 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.534 43.548 -7.127 1.00 0.00 N ATOM 0 H HIS A 45 69.912 47.023 -7.357 1.00 0.00 H new ATOM 0 HA HIS A 45 70.614 44.229 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.137 46.170 -9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.484 44.530 -9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.390 42.563 -7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.152 45.167 -6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.028 42.786 -6.676 1.00 0.00 H new ATOM 664 N VAL A 46 72.336 46.434 -9.113 1.00 0.00 N ATOM 665 CA VAL A 46 73.521 46.637 -9.939 1.00 0.00 C ATOM 666 C VAL A 46 74.796 46.388 -9.141 1.00 0.00 C ATOM 667 O VAL A 46 75.834 46.040 -9.704 1.00 0.00 O ATOM 668 CB VAL A 46 73.562 48.063 -10.520 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.819 48.265 -11.352 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.315 48.337 -11.348 1.00 0.00 C ATOM 0 H VAL A 46 71.956 47.287 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 46 73.463 45.920 -10.758 1.00 0.00 H new ATOM 0 HB VAL A 46 73.585 48.773 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.830 49.278 -11.754 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.698 48.113 -10.726 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.831 47.549 -12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.361 49.349 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.259 47.622 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.431 48.237 -10.718 1.00 0.00 H new ATOM 680 N ARG A 47 74.710 46.568 -7.827 1.00 0.00 N ATOM 681 CA ARG A 47 75.857 46.363 -6.952 1.00 0.00 C ATOM 682 C ARG A 47 75.912 44.921 -6.456 1.00 0.00 C ATOM 683 O ARG A 47 76.991 44.377 -6.222 1.00 0.00 O ATOM 684 CB ARG A 47 75.794 47.321 -5.761 1.00 0.00 C ATOM 685 CG ARG A 47 74.751 46.936 -4.724 1.00 0.00 C ATOM 686 CD ARG A 47 74.584 48.022 -3.673 1.00 0.00 C ATOM 687 NE ARG A 47 73.739 47.586 -2.565 1.00 0.00 N ATOM 688 CZ ARG A 47 74.123 46.702 -1.651 1.00 0.00 C ATOM 689 NH1 ARG A 47 75.334 46.164 -1.712 1.00 0.00 N ATOM 690 NH2 ARG A 47 73.297 46.355 -0.672 1.00 0.00 N ATOM 0 H ARG A 47 73.858 46.855 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 47 76.761 46.566 -7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 47 76.773 47.358 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.579 48.326 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.796 46.755 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.043 46.003 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.563 48.310 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.149 48.909 -4.134 1.00 0.00 H new ATOM 0 HE ARG A 47 72.802 47.982 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.973 46.429 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 47 75.627 45.485 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.365 46.767 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.594 45.676 0.029 1.00 0.00 H new ATOM 704 N GLN A 48 74.743 44.310 -6.298 1.00 0.00 N ATOM 705 CA GLN A 48 74.659 42.932 -5.828 1.00 0.00 C ATOM 706 C GLN A 48 74.999 41.954 -6.948 1.00 0.00 C ATOM 707 O GLN A 48 75.833 41.065 -6.777 1.00 0.00 O ATOM 708 CB GLN A 48 73.258 42.640 -5.288 1.00 0.00 C ATOM 709 CG GLN A 48 73.015 43.197 -3.895 1.00 0.00 C ATOM 710 CD GLN A 48 73.151 42.144 -2.813 1.00 0.00 C ATOM 711 OE1 GLN A 48 74.252 41.859 -2.342 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.028 41.560 -2.411 1.00 0.00 N ATOM 0 H GLN A 48 73.841 44.747 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 48 75.384 42.803 -5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.520 43.059 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.101 41.561 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.722 44.004 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.016 43.631 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.137 41.827 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.057 40.845 -1.684 1.00 0.00 H new ATOM 721 N TRP A 49 74.348 42.124 -8.093 1.00 0.00 N ATOM 722 CA TRP A 49 74.581 41.255 -9.241 1.00 0.00 C ATOM 723 C TRP A 49 76.068 41.177 -9.571 1.00 0.00 C ATOM 724 O TRP A 49 76.584 40.112 -9.912 1.00 0.00 O ATOM 725 CB TRP A 49 73.802 41.760 -10.456 1.00 0.00 C ATOM 726 CG TRP A 49 74.123 41.018 -11.718 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.823 39.717 -12.002 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.807 41.534 -12.865 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.279 39.392 -13.257 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.886 40.490 -13.808 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.358 42.777 -13.189 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.495 40.653 -15.049 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.963 42.936 -14.421 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.027 41.880 -15.339 1.00 0.00 C ATOM 0 H TRP A 49 73.655 42.855 -8.251 1.00 0.00 H new ATOM 0 HA TRP A 49 74.231 40.255 -8.985 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.734 41.675 -10.255 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.016 42.819 -10.601 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.304 39.042 -11.338 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.181 38.481 -13.706 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.312 43.598 -12.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.546 39.840 -15.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.394 43.891 -14.681 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.506 42.037 -16.294 1.00 0.00 H new ATOM 745 N LEU A 50 76.752 42.311 -9.469 1.00 0.00 N ATOM 746 CA LEU A 50 78.181 42.371 -9.757 1.00 0.00 C ATOM 747 C LEU A 50 78.964 41.453 -8.824 1.00 0.00 C ATOM 748 O LEU A 50 79.519 40.443 -9.255 1.00 0.00 O ATOM 749 CB LEU A 50 78.689 43.808 -9.622 1.00 0.00 C ATOM 750 CG LEU A 50 80.129 44.056 -10.072 1.00 0.00 C ATOM 751 CD1 LEU A 50 80.302 43.686 -11.537 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.518 45.508 -9.837 1.00 0.00 C ATOM 0 H LEU A 50 76.341 43.201 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 50 78.334 42.033 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.032 44.460 -10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.599 44.107 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 50 80.789 43.423 -9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 50 81.333 43.869 -11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 80.065 42.631 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.632 44.292 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.546 45.667 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 79.853 46.159 -10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 80.434 45.740 -8.775 1.00 0.00 H new ATOM 764 N GLU A 51 79.000 41.810 -7.544 1.00 0.00 N ATOM 765 CA GLU A 51 79.714 41.017 -6.551 1.00 0.00 C ATOM 766 C GLU A 51 79.276 39.556 -6.605 1.00 0.00 C ATOM 767 O GLU A 51 80.082 38.648 -6.403 1.00 0.00 O ATOM 768 CB GLU A 51 79.475 41.580 -5.148 1.00 0.00 C ATOM 769 CG GLU A 51 80.354 42.773 -4.814 1.00 0.00 C ATOM 770 CD GLU A 51 80.254 43.879 -5.847 1.00 0.00 C ATOM 771 OE1 GLU A 51 80.892 43.756 -6.913 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.537 44.869 -5.587 1.00 0.00 O ATOM 0 H GLU A 51 78.543 42.642 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 51 80.779 41.069 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.429 41.873 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.651 40.793 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.071 43.166 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 51 81.391 42.445 -4.737 1.00 0.00 H new ATOM 779 N TRP A 52 77.995 39.338 -6.879 1.00 0.00 N ATOM 780 CA TRP A 52 77.450 37.988 -6.959 1.00 0.00 C ATOM 781 C TRP A 52 78.103 37.203 -8.091 1.00 0.00 C ATOM 782 O TRP A 52 78.659 36.127 -7.872 1.00 0.00 O ATOM 783 CB TRP A 52 75.935 38.039 -7.166 1.00 0.00 C ATOM 784 CG TRP A 52 75.302 36.684 -7.257 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.812 35.937 -6.224 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.092 35.914 -8.446 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.311 34.749 -6.699 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.469 34.711 -8.059 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.367 36.125 -9.799 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.120 33.725 -8.977 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.020 35.145 -10.710 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.401 33.958 -10.296 1.00 0.00 C ATOM 0 H TRP A 52 77.315 40.078 -7.049 1.00 0.00 H new ATOM 0 HA TRP A 52 77.665 37.480 -6.019 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.481 38.589 -6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.719 38.595 -8.078 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.817 36.236 -5.186 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.890 34.014 -6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.842 37.037 -10.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.644 32.809 -8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.230 35.297 -11.759 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.140 33.212 -11.032 1.00 0.00 H new ATOM 803 N ALA A 53 78.033 37.748 -9.301 1.00 0.00 N ATOM 804 CA ALA A 53 78.621 37.099 -10.466 1.00 0.00 C ATOM 805 C ALA A 53 80.094 36.782 -10.233 1.00 0.00 C ATOM 806 O ALA A 53 80.538 35.654 -10.452 1.00 0.00 O ATOM 807 CB ALA A 53 78.456 37.976 -11.698 1.00 0.00 C ATOM 0 H ALA A 53 77.575 38.637 -9.500 1.00 0.00 H new ATOM 0 HA ALA A 53 78.096 36.158 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.900 37.479 -12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.396 38.147 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.954 38.931 -11.534 1.00 0.00 H new ATOM 813 N ILE A 54 80.847 37.783 -9.790 1.00 0.00 N ATOM 814 CA ILE A 54 82.270 37.609 -9.528 1.00 0.00 C ATOM 815 C ILE A 54 82.512 36.489 -8.522 1.00 0.00 C ATOM 816 O ILE A 54 83.579 35.875 -8.503 1.00 0.00 O ATOM 817 CB ILE A 54 82.907 38.907 -8.996 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.701 40.048 -9.995 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.389 38.697 -8.722 1.00 0.00 C ATOM 820 CD1 ILE A 54 83.117 41.401 -9.461 1.00 0.00 C ATOM 0 H ILE A 54 80.495 38.722 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 54 82.735 37.347 -10.478 1.00 0.00 H new ATOM 0 HB ILE A 54 82.419 39.176 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.268 39.834 -10.901 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.649 40.086 -10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.824 39.623 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.514 37.910 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.892 38.407 -9.645 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.943 42.162 -10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.532 41.637 -8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.176 41.381 -9.204 1.00 0.00 H new ATOM 832 N LYS A 55 81.512 36.226 -7.687 1.00 0.00 N ATOM 833 CA LYS A 55 81.612 35.177 -6.679 1.00 0.00 C ATOM 834 C LYS A 55 81.231 33.822 -7.265 1.00 0.00 C ATOM 835 O LYS A 55 82.048 32.902 -7.308 1.00 0.00 O ATOM 836 CB LYS A 55 80.711 35.501 -5.485 1.00 0.00 C ATOM 837 CG LYS A 55 81.430 36.223 -4.359 1.00 0.00 C ATOM 838 CD LYS A 55 81.932 35.251 -3.304 1.00 0.00 C ATOM 839 CE LYS A 55 83.075 34.397 -3.833 1.00 0.00 C ATOM 840 NZ LYS A 55 83.912 33.847 -2.730 1.00 0.00 N ATOM 0 H LYS A 55 80.623 36.725 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 55 82.647 35.129 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.878 36.115 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.287 34.574 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.270 36.787 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.755 36.944 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.266 35.805 -2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 55 81.114 34.607 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.671 33.577 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.698 34.995 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.680 33.271 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.318 34.630 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.323 33.255 -2.109 1.00 0.00 H new ATOM 854 N GLU A 56 79.986 33.706 -7.715 1.00 0.00 N ATOM 855 CA GLU A 56 79.498 32.462 -8.299 1.00 0.00 C ATOM 856 C GLU A 56 80.402 32.005 -9.440 1.00 0.00 C ATOM 857 O GLU A 56 81.045 30.959 -9.356 1.00 0.00 O ATOM 858 CB GLU A 56 78.065 32.639 -8.808 1.00 0.00 C ATOM 859 CG GLU A 56 77.265 31.347 -8.834 1.00 0.00 C ATOM 860 CD GLU A 56 77.199 30.675 -7.476 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.264 31.392 -6.456 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.083 29.432 -7.434 1.00 0.00 O ATOM 0 H GLU A 56 79.297 34.458 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 56 79.508 31.697 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.550 33.363 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.095 33.059 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.253 31.557 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.713 30.661 -9.553 1.00 0.00 H new ATOM 869 N TYR A 57 80.444 32.796 -10.506 1.00 0.00 N ATOM 870 CA TYR A 57 81.266 32.473 -11.666 1.00 0.00 C ATOM 871 C TYR A 57 82.743 32.417 -11.289 1.00 0.00 C ATOM 872 O TYR A 57 83.534 31.726 -11.931 1.00 0.00 O ATOM 873 CB TYR A 57 81.051 33.505 -12.774 1.00 0.00 C ATOM 874 CG TYR A 57 79.699 33.402 -13.444 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.512 32.586 -14.553 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.609 34.120 -12.968 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.279 32.488 -15.169 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.372 34.027 -13.576 1.00 0.00 C ATOM 879 CZ TYR A 57 77.212 33.210 -14.676 1.00 0.00 C ATOM 880 OH TYR A 57 75.982 33.117 -15.286 1.00 0.00 O ATOM 0 H TYR A 57 79.918 33.666 -10.591 1.00 0.00 H new ATOM 0 HA TYR A 57 80.964 31.491 -12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.164 34.505 -12.355 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.830 33.385 -13.527 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.345 32.018 -14.940 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.731 34.762 -12.108 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.151 31.850 -16.031 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.535 34.591 -13.192 1.00 0.00 H new ATOM 0 HH TYR A 57 75.295 32.935 -14.611 1.00 0.00 H new ATOM 890 N SER A 58 83.108 33.150 -10.241 1.00 0.00 N ATOM 891 CA SER A 58 84.490 33.187 -9.778 1.00 0.00 C ATOM 892 C SER A 58 85.404 33.781 -10.845 1.00 0.00 C ATOM 893 O SER A 58 86.364 33.143 -11.282 1.00 0.00 O ATOM 894 CB SER A 58 84.964 31.780 -9.409 1.00 0.00 C ATOM 895 OG SER A 58 86.036 31.830 -8.482 1.00 0.00 O ATOM 0 H SER A 58 82.466 33.726 -9.697 1.00 0.00 H new ATOM 0 HA SER A 58 84.534 33.821 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.136 31.214 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.281 31.252 -10.308 1.00 0.00 H new ATOM 0 HG SER A 58 86.320 30.919 -8.261 1.00 0.00 H new ATOM 901 N LEU A 59 85.100 35.005 -11.262 1.00 0.00 N ATOM 902 CA LEU A 59 85.894 35.686 -12.278 1.00 0.00 C ATOM 903 C LEU A 59 87.182 36.243 -11.681 1.00 0.00 C ATOM 904 O LEU A 59 87.526 35.946 -10.537 1.00 0.00 O ATOM 905 CB LEU A 59 85.082 36.817 -12.914 1.00 0.00 C ATOM 906 CG LEU A 59 83.656 36.464 -13.336 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.860 37.725 -13.635 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.670 35.541 -14.545 1.00 0.00 C ATOM 0 H LEU A 59 84.309 35.546 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 59 86.157 34.959 -13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.036 37.646 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.621 37.175 -13.791 1.00 0.00 H new ATOM 0 HG LEU A 59 83.173 35.941 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.847 37.454 -13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.820 38.350 -12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.341 38.276 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.646 35.300 -14.831 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.172 36.037 -15.376 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.202 34.623 -14.296 1.00 0.00 H new ATOM 920 N MET A 60 87.888 37.055 -12.462 1.00 0.00 N ATOM 921 CA MET A 60 89.136 37.656 -12.008 1.00 0.00 C ATOM 922 C MET A 60 89.485 38.883 -12.845 1.00 0.00 C ATOM 923 O MET A 60 89.221 38.920 -14.046 1.00 0.00 O ATOM 924 CB MET A 60 90.274 36.636 -12.078 1.00 0.00 C ATOM 925 CG MET A 60 90.390 35.948 -13.428 1.00 0.00 C ATOM 926 SD MET A 60 92.085 35.478 -13.826 1.00 0.00 S ATOM 927 CE MET A 60 91.851 33.787 -14.367 1.00 0.00 C ATOM 0 H MET A 60 87.617 37.311 -13.411 1.00 0.00 H new ATOM 0 HA MET A 60 89.003 37.970 -10.973 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.215 37.138 -11.853 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.123 35.881 -11.306 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.760 35.059 -13.433 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.010 36.613 -14.204 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.813 33.358 -14.648 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.416 33.202 -13.556 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.181 33.769 -15.227 1.00 0.00 H new ATOM 937 N GLU A 61 90.078 39.884 -12.202 1.00 0.00 N ATOM 938 CA GLU A 61 90.461 41.112 -12.889 1.00 0.00 C ATOM 939 C GLU A 61 89.244 41.789 -13.511 1.00 0.00 C ATOM 940 O GLU A 61 88.980 41.642 -14.705 1.00 0.00 O ATOM 941 CB GLU A 61 91.501 40.814 -13.971 1.00 0.00 C ATOM 942 CG GLU A 61 92.669 39.975 -13.479 1.00 0.00 C ATOM 943 CD GLU A 61 93.912 40.151 -14.328 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.432 41.285 -14.391 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.366 39.156 -14.931 1.00 0.00 O ATOM 0 H GLU A 61 90.303 39.869 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 61 90.896 41.789 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.015 40.295 -14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.882 41.756 -14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.897 40.245 -12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.381 38.924 -13.477 1.00 0.00 H new ATOM 952 N ILE A 62 88.505 42.531 -12.693 1.00 0.00 N ATOM 953 CA ILE A 62 87.316 43.232 -13.162 1.00 0.00 C ATOM 954 C ILE A 62 87.119 44.544 -12.411 1.00 0.00 C ATOM 955 O ILE A 62 87.360 44.624 -11.206 1.00 0.00 O ATOM 956 CB ILE A 62 86.052 42.367 -13.001 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.865 43.023 -13.708 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.744 42.149 -11.527 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.665 42.111 -13.847 1.00 0.00 C ATOM 0 H ILE A 62 88.709 42.662 -11.702 1.00 0.00 H new ATOM 0 HA ILE A 62 87.471 43.442 -14.220 1.00 0.00 H new ATOM 0 HB ILE A 62 86.233 41.396 -13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.571 43.915 -13.155 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.179 43.351 -14.699 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.848 41.536 -11.429 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.584 41.643 -11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.579 43.112 -11.043 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.862 42.642 -14.357 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.943 41.230 -14.426 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.325 41.803 -12.858 1.00 0.00 H new ATOM 971 N ASP A 63 86.678 45.571 -13.130 1.00 0.00 N ATOM 972 CA ASP A 63 86.445 46.880 -12.532 1.00 0.00 C ATOM 973 C ASP A 63 85.119 46.905 -11.779 1.00 0.00 C ATOM 974 O ASP A 63 84.094 46.449 -12.288 1.00 0.00 O ATOM 975 CB ASP A 63 86.455 47.966 -13.609 1.00 0.00 C ATOM 976 CG ASP A 63 87.813 48.623 -13.756 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.126 49.524 -12.951 1.00 0.00 O ATOM 978 OD2 ASP A 63 88.563 48.236 -14.677 1.00 0.00 O ATOM 0 H ASP A 63 86.475 45.522 -14.128 1.00 0.00 H new ATOM 0 HA ASP A 63 87.249 47.076 -11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.160 47.530 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.712 48.725 -13.363 1.00 0.00 H new ATOM 983 N THR A 64 85.145 47.439 -10.562 1.00 0.00 N ATOM 984 CA THR A 64 83.946 47.522 -9.737 1.00 0.00 C ATOM 985 C THR A 64 83.404 48.946 -9.696 1.00 0.00 C ATOM 986 O THR A 64 82.197 49.158 -9.579 1.00 0.00 O ATOM 987 CB THR A 64 84.220 47.047 -8.298 1.00 0.00 C ATOM 988 OG1 THR A 64 85.631 46.966 -8.069 1.00 0.00 O ATOM 989 CG2 THR A 64 83.581 45.689 -8.045 1.00 0.00 C ATOM 0 H THR A 64 85.984 47.821 -10.125 1.00 0.00 H new ATOM 0 HA THR A 64 83.203 46.867 -10.192 1.00 0.00 H new ATOM 0 HB THR A 64 83.782 47.771 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.797 46.665 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 64 83.788 45.374 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.503 45.761 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 64 83.993 44.958 -8.740 1.00 0.00 H new ATOM 997 N SER A 65 84.303 49.920 -9.792 1.00 0.00 N ATOM 998 CA SER A 65 83.915 51.325 -9.762 1.00 0.00 C ATOM 999 C SER A 65 83.053 51.676 -10.971 1.00 0.00 C ATOM 1000 O SER A 65 82.191 52.552 -10.900 1.00 0.00 O ATOM 1001 CB SER A 65 85.157 52.218 -9.730 1.00 0.00 C ATOM 1002 OG SER A 65 86.284 51.544 -10.262 1.00 0.00 O ATOM 0 H SER A 65 85.306 49.762 -9.891 1.00 0.00 H new ATOM 0 HA SER A 65 83.330 51.496 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.970 53.127 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.363 52.523 -8.704 1.00 0.00 H new ATOM 0 HG SER A 65 87.064 52.137 -10.232 1.00 0.00 H new ATOM 1008 N PHE A 66 83.292 50.985 -12.081 1.00 0.00 N ATOM 1009 CA PHE A 66 82.539 51.224 -13.306 1.00 0.00 C ATOM 1010 C PHE A 66 81.042 51.042 -13.069 1.00 0.00 C ATOM 1011 O PHE A 66 80.216 51.654 -13.747 1.00 0.00 O ATOM 1012 CB PHE A 66 83.010 50.276 -14.412 1.00 0.00 C ATOM 1013 CG PHE A 66 82.917 50.869 -15.789 1.00 0.00 C ATOM 1014 CD1 PHE A 66 81.753 50.749 -16.532 1.00 0.00 C ATOM 1015 CD2 PHE A 66 83.993 51.545 -16.340 1.00 0.00 C ATOM 1016 CE1 PHE A 66 81.664 51.294 -17.799 1.00 0.00 C ATOM 1017 CE2 PHE A 66 83.910 52.092 -17.607 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.744 51.965 -18.338 1.00 0.00 C ATOM 0 H PHE A 66 84.001 50.256 -12.157 1.00 0.00 H new ATOM 0 HA PHE A 66 82.717 52.253 -13.618 1.00 0.00 H new ATOM 0 HB2 PHE A 66 84.043 49.989 -14.218 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.414 49.364 -14.377 1.00 0.00 H new ATOM 0 HD1 PHE A 66 80.906 50.224 -16.116 1.00 0.00 H new ATOM 0 HD2 PHE A 66 84.907 51.646 -15.774 1.00 0.00 H new ATOM 0 HE1 PHE A 66 80.751 51.195 -18.367 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.756 52.618 -18.025 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.678 52.390 -19.329 1.00 0.00 H new ATOM 1028 N PHE A 67 80.701 50.197 -12.103 1.00 0.00 N ATOM 1029 CA PHE A 67 79.304 49.933 -11.776 1.00 0.00 C ATOM 1030 C PHE A 67 78.923 50.584 -10.450 1.00 0.00 C ATOM 1031 O PHE A 67 78.012 50.125 -9.761 1.00 0.00 O ATOM 1032 CB PHE A 67 79.050 48.425 -11.708 1.00 0.00 C ATOM 1033 CG PHE A 67 79.576 47.675 -12.898 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.819 47.563 -14.053 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.828 47.081 -12.862 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.301 46.873 -15.150 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.314 46.390 -13.956 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.549 46.285 -15.101 1.00 0.00 C ATOM 0 H PHE A 67 81.372 49.683 -11.532 1.00 0.00 H new ATOM 0 HA PHE A 67 78.685 50.364 -12.563 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.512 48.027 -10.804 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.978 48.249 -11.622 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.841 48.020 -14.097 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.430 47.159 -11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.701 46.794 -16.045 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.291 45.932 -13.915 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.926 45.744 -15.956 1.00 0.00 H new ATOM 1048 N GLN A 68 79.628 51.655 -10.100 1.00 0.00 N ATOM 1049 CA GLN A 68 79.364 52.369 -8.856 1.00 0.00 C ATOM 1050 C GLN A 68 77.922 52.861 -8.805 1.00 0.00 C ATOM 1051 O GLN A 68 77.096 52.318 -8.073 1.00 0.00 O ATOM 1052 CB GLN A 68 80.325 53.550 -8.708 1.00 0.00 C ATOM 1053 CG GLN A 68 81.545 53.240 -7.855 1.00 0.00 C ATOM 1054 CD GLN A 68 81.679 54.172 -6.667 1.00 0.00 C ATOM 1055 OE1 GLN A 68 81.114 53.924 -5.602 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.431 55.252 -6.844 1.00 0.00 N ATOM 0 H GLN A 68 80.385 52.047 -10.659 1.00 0.00 H new ATOM 0 HA GLN A 68 79.520 51.676 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.655 53.865 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.789 54.391 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.483 52.211 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 68 82.442 53.311 -8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 68 82.881 55.418 -7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 68 82.559 55.915 -6.080 1.00 0.00 H new ATOM 1065 N ASN A 69 77.627 53.894 -9.589 1.00 0.00 N ATOM 1066 CA ASN A 69 76.284 54.461 -9.633 1.00 0.00 C ATOM 1067 C ASN A 69 75.675 54.310 -11.023 1.00 0.00 C ATOM 1068 O ASN A 69 74.814 55.093 -11.423 1.00 0.00 O ATOM 1069 CB ASN A 69 76.318 55.938 -9.236 1.00 0.00 C ATOM 1070 CG ASN A 69 74.950 56.464 -8.846 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.270 57.109 -9.645 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.540 56.189 -7.613 1.00 0.00 N ATOM 0 H ASN A 69 78.300 54.355 -10.202 1.00 0.00 H new ATOM 0 HA ASN A 69 75.663 53.915 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.007 56.071 -8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.707 56.526 -10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 69 73.628 56.516 -7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.137 55.651 -6.985 1.00 0.00 H new ATOM 1079 N MET A 70 76.128 53.297 -11.755 1.00 0.00 N ATOM 1080 CA MET A 70 75.626 53.042 -13.100 1.00 0.00 C ATOM 1081 C MET A 70 74.133 52.732 -13.074 1.00 0.00 C ATOM 1082 O MET A 70 73.679 51.884 -12.306 1.00 0.00 O ATOM 1083 CB MET A 70 76.389 51.880 -13.740 1.00 0.00 C ATOM 1084 CG MET A 70 75.807 51.431 -15.071 1.00 0.00 C ATOM 1085 SD MET A 70 76.678 50.014 -15.767 1.00 0.00 S ATOM 1086 CE MET A 70 77.859 50.834 -16.835 1.00 0.00 C ATOM 0 H MET A 70 76.841 52.640 -11.439 1.00 0.00 H new ATOM 0 HA MET A 70 75.781 53.942 -13.695 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.428 52.176 -13.888 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.393 51.035 -13.051 1.00 0.00 H new ATOM 0 HG2 MET A 70 74.756 51.176 -14.936 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.846 52.260 -15.778 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.664 50.143 -17.085 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.360 51.156 -17.749 1.00 0.00 H new ATOM 0 HE3 MET A 70 78.272 51.702 -16.322 1.00 0.00 H new ATOM 1096 N ASP A 71 73.375 53.425 -13.916 1.00 0.00 N ATOM 1097 CA ASP A 71 71.932 53.223 -13.990 1.00 0.00 C ATOM 1098 C ASP A 71 71.605 51.829 -14.515 1.00 0.00 C ATOM 1099 O ASP A 71 72.226 51.350 -15.463 1.00 0.00 O ATOM 1100 CB ASP A 71 71.293 54.283 -14.888 1.00 0.00 C ATOM 1101 CG ASP A 71 71.884 55.662 -14.668 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.035 56.063 -13.495 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.198 56.339 -15.670 1.00 0.00 O ATOM 0 H ASP A 71 73.735 54.132 -14.557 1.00 0.00 H new ATOM 0 HA ASP A 71 71.524 53.317 -12.984 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.424 53.997 -15.932 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.220 54.316 -14.699 1.00 0.00 H new ATOM 1108 N GLY A 72 70.625 51.182 -13.891 1.00 0.00 N ATOM 1109 CA GLY A 72 70.233 49.848 -14.308 1.00 0.00 C ATOM 1110 C GLY A 72 69.891 49.780 -15.783 1.00 0.00 C ATOM 1111 O GLY A 72 70.054 48.738 -16.419 1.00 0.00 O ATOM 0 H GLY A 72 70.096 51.558 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.043 49.151 -14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.371 49.526 -13.723 1.00 0.00 H new ATOM 1115 N LYS A 73 69.415 50.893 -16.331 1.00 0.00 N ATOM 1116 CA LYS A 73 69.048 50.956 -17.741 1.00 0.00 C ATOM 1117 C LYS A 73 70.290 50.990 -18.625 1.00 0.00 C ATOM 1118 O LYS A 73 70.255 50.558 -19.776 1.00 0.00 O ATOM 1119 CB LYS A 73 68.184 52.190 -18.009 1.00 0.00 C ATOM 1120 CG LYS A 73 66.726 51.864 -18.282 1.00 0.00 C ATOM 1121 CD LYS A 73 66.149 52.754 -19.370 1.00 0.00 C ATOM 1122 CE LYS A 73 65.781 51.952 -20.609 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.388 52.833 -21.744 1.00 0.00 N ATOM 0 H LYS A 73 69.274 51.764 -15.820 1.00 0.00 H new ATOM 0 HA LYS A 73 68.476 50.060 -17.983 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.243 52.858 -17.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.593 52.731 -18.863 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.636 50.819 -18.579 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.147 51.986 -17.366 1.00 0.00 H new ATOM 0 HD2 LYS A 73 65.265 53.267 -18.991 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.874 53.523 -19.635 1.00 0.00 H new ATOM 0 HE2 LYS A 73 66.628 51.333 -20.906 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.959 51.276 -20.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 65.145 52.248 -22.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.564 53.405 -21.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 66.181 53.461 -21.986 1.00 0.00 H new ATOM 1137 N GLU A 74 71.387 51.506 -18.078 1.00 0.00 N ATOM 1138 CA GLU A 74 72.640 51.595 -18.818 1.00 0.00 C ATOM 1139 C GLU A 74 73.289 50.221 -18.956 1.00 0.00 C ATOM 1140 O GLU A 74 74.027 49.963 -19.908 1.00 0.00 O ATOM 1141 CB GLU A 74 73.603 52.558 -18.121 1.00 0.00 C ATOM 1142 CG GLU A 74 73.771 53.882 -18.847 1.00 0.00 C ATOM 1143 CD GLU A 74 74.554 54.897 -18.037 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.053 54.531 -16.952 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.667 56.056 -18.486 1.00 0.00 O ATOM 0 H GLU A 74 71.433 51.868 -17.126 1.00 0.00 H new ATOM 0 HA GLU A 74 72.417 51.974 -19.815 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.243 52.751 -17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.577 52.079 -18.026 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.279 53.710 -19.796 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.788 54.291 -19.082 1.00 0.00 H new ATOM 1152 N LEU A 75 73.010 49.342 -18.000 1.00 0.00 N ATOM 1153 CA LEU A 75 73.566 47.994 -18.013 1.00 0.00 C ATOM 1154 C LEU A 75 73.229 47.279 -19.318 1.00 0.00 C ATOM 1155 O LEU A 75 74.121 46.834 -20.041 1.00 0.00 O ATOM 1156 CB LEU A 75 73.034 47.190 -16.825 1.00 0.00 C ATOM 1157 CG LEU A 75 74.077 46.728 -15.807 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.306 47.800 -14.753 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.645 45.421 -15.157 1.00 0.00 C ATOM 0 H LEU A 75 72.401 49.539 -17.205 1.00 0.00 H new ATOM 0 HA LEU A 75 74.650 48.074 -17.933 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.292 47.796 -16.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.516 46.311 -17.209 1.00 0.00 H new ATOM 0 HG LEU A 75 75.017 46.557 -16.331 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.051 47.453 -14.037 1.00 0.00 H new ATOM 0 HD12 LEU A 75 74.661 48.712 -15.233 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.370 48.004 -14.232 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.399 45.107 -14.435 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.693 45.566 -14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.534 44.653 -15.923 1.00 0.00 H new ATOM 1171 N CYS A 76 71.939 47.173 -19.612 1.00 0.00 N ATOM 1172 CA CYS A 76 71.484 46.513 -20.831 1.00 0.00 C ATOM 1173 C CYS A 76 71.926 47.289 -22.067 1.00 0.00 C ATOM 1174 O CYS A 76 72.088 46.720 -23.146 1.00 0.00 O ATOM 1175 CB CYS A 76 69.961 46.371 -20.821 1.00 0.00 C ATOM 1176 SG CYS A 76 69.072 47.940 -20.943 1.00 0.00 S ATOM 0 H CYS A 76 71.189 47.535 -19.023 1.00 0.00 H new ATOM 0 HA CYS A 76 71.934 45.521 -20.867 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.661 45.731 -21.650 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.660 45.866 -19.903 1.00 0.00 H new ATOM 0 HG CYS A 76 69.772 48.880 -20.380 1.00 0.00 H new ATOM 1182 N LYS A 77 72.118 48.594 -21.903 1.00 0.00 N ATOM 1183 CA LYS A 77 72.541 49.450 -23.004 1.00 0.00 C ATOM 1184 C LYS A 77 73.981 49.148 -23.407 1.00 0.00 C ATOM 1185 O LYS A 77 74.325 49.181 -24.588 1.00 0.00 O ATOM 1186 CB LYS A 77 72.409 50.923 -22.612 1.00 0.00 C ATOM 1187 CG LYS A 77 71.007 51.479 -22.798 1.00 0.00 C ATOM 1188 CD LYS A 77 70.900 52.904 -22.284 1.00 0.00 C ATOM 1189 CE LYS A 77 71.188 53.917 -23.382 1.00 0.00 C ATOM 1190 NZ LYS A 77 72.650 54.110 -23.589 1.00 0.00 N ATOM 0 H LYS A 77 71.987 49.082 -21.017 1.00 0.00 H new ATOM 0 HA LYS A 77 71.893 49.248 -23.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.702 51.040 -21.569 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.106 51.513 -23.207 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.741 51.451 -23.855 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.291 50.847 -22.272 1.00 0.00 H new ATOM 0 HD2 LYS A 77 69.900 53.073 -21.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.601 53.049 -21.462 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.730 53.583 -24.313 1.00 0.00 H new ATOM 0 HE3 LYS A 77 70.728 54.871 -23.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 72.826 55.069 -23.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 73.148 53.984 -22.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 72.998 53.412 -24.277 1.00 0.00 H new ATOM 1204 N MET A 78 74.817 48.851 -22.417 1.00 0.00 N ATOM 1205 CA MET A 78 76.219 48.540 -22.669 1.00 0.00 C ATOM 1206 C MET A 78 76.351 47.363 -23.631 1.00 0.00 C ATOM 1207 O MET A 78 75.671 46.348 -23.481 1.00 0.00 O ATOM 1208 CB MET A 78 76.938 48.223 -21.356 1.00 0.00 C ATOM 1209 CG MET A 78 76.920 49.372 -20.362 1.00 0.00 C ATOM 1210 SD MET A 78 78.554 50.089 -20.099 1.00 0.00 S ATOM 1211 CE MET A 78 79.418 48.703 -19.365 1.00 0.00 C ATOM 0 H MET A 78 74.548 48.819 -21.434 1.00 0.00 H new ATOM 0 HA MET A 78 76.682 49.414 -23.127 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.473 47.350 -20.898 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.973 47.957 -21.573 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.241 50.146 -20.720 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.526 49.017 -19.410 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.286 49.066 -18.814 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.749 48.177 -18.683 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.745 48.021 -20.150 1.00 0.00 H new ATOM 1221 N ASN A 79 77.228 47.506 -24.619 1.00 0.00 N ATOM 1222 CA ASN A 79 77.447 46.455 -25.606 1.00 0.00 C ATOM 1223 C ASN A 79 78.771 45.741 -25.355 1.00 0.00 C ATOM 1224 O ASN A 79 79.455 46.005 -24.365 1.00 0.00 O ATOM 1225 CB ASN A 79 77.431 47.042 -27.019 1.00 0.00 C ATOM 1226 CG ASN A 79 76.385 48.128 -27.182 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.693 49.317 -27.109 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.141 47.722 -27.404 1.00 0.00 N ATOM 0 H ASN A 79 77.799 48.340 -24.758 1.00 0.00 H new ATOM 0 HA ASN A 79 76.639 45.729 -25.512 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.414 47.451 -27.251 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.239 46.246 -27.738 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.394 48.407 -27.522 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.932 46.725 -27.457 1.00 0.00 H new ATOM 1235 N LYS A 80 79.128 44.833 -26.257 1.00 0.00 N ATOM 1236 CA LYS A 80 80.371 44.081 -26.137 1.00 0.00 C ATOM 1237 C LYS A 80 81.567 45.021 -26.015 1.00 0.00 C ATOM 1238 O LYS A 80 82.576 44.678 -25.401 1.00 0.00 O ATOM 1239 CB LYS A 80 80.554 43.160 -27.346 1.00 0.00 C ATOM 1240 CG LYS A 80 81.417 41.944 -27.059 1.00 0.00 C ATOM 1241 CD LYS A 80 80.609 40.659 -27.128 1.00 0.00 C ATOM 1242 CE LYS A 80 81.512 39.437 -27.207 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.810 38.267 -27.804 1.00 0.00 N ATOM 0 H LYS A 80 78.573 44.600 -27.080 1.00 0.00 H new ATOM 0 HA LYS A 80 80.313 43.476 -25.232 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.575 42.827 -27.690 1.00 0.00 H new ATOM 0 HB3 LYS A 80 81.002 43.729 -28.161 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.235 41.900 -27.778 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.866 42.040 -26.070 1.00 0.00 H new ATOM 0 HD2 LYS A 80 79.968 40.583 -26.250 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.954 40.686 -27.999 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.393 39.675 -27.803 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.863 39.179 -26.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.498 37.511 -27.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 80.090 37.918 -27.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.352 38.553 -28.693 1.00 0.00 H new ATOM 1257 N GLU A 81 81.443 46.207 -26.602 1.00 0.00 N ATOM 1258 CA GLU A 81 82.514 47.195 -26.558 1.00 0.00 C ATOM 1259 C GLU A 81 82.539 47.911 -25.210 1.00 0.00 C ATOM 1260 O GLU A 81 83.557 47.917 -24.517 1.00 0.00 O ATOM 1261 CB GLU A 81 82.344 48.215 -27.686 1.00 0.00 C ATOM 1262 CG GLU A 81 82.447 47.609 -29.075 1.00 0.00 C ATOM 1263 CD GLU A 81 83.157 48.519 -30.058 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.477 49.357 -30.687 1.00 0.00 O ATOM 1265 OE2 GLU A 81 84.391 48.393 -30.199 1.00 0.00 O ATOM 0 H GLU A 81 80.613 46.507 -27.113 1.00 0.00 H new ATOM 0 HA GLU A 81 83.461 46.672 -26.690 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.374 48.701 -27.582 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.102 48.991 -27.580 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.980 46.660 -29.015 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.446 47.390 -29.447 1.00 0.00 H new ATOM 1272 N ASP A 82 81.413 48.513 -24.846 1.00 0.00 N ATOM 1273 CA ASP A 82 81.304 49.231 -23.582 1.00 0.00 C ATOM 1274 C ASP A 82 81.737 48.348 -22.416 1.00 0.00 C ATOM 1275 O ASP A 82 82.339 48.824 -21.453 1.00 0.00 O ATOM 1276 CB ASP A 82 79.868 49.713 -23.366 1.00 0.00 C ATOM 1277 CG ASP A 82 79.282 50.358 -24.607 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.057 50.928 -25.402 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.047 50.293 -24.782 1.00 0.00 O ATOM 0 H ASP A 82 80.562 48.518 -25.409 1.00 0.00 H new ATOM 0 HA ASP A 82 81.967 50.095 -23.626 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.245 48.869 -23.070 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.848 50.428 -22.544 1.00 0.00 H new ATOM 1284 N PHE A 83 81.427 47.059 -22.509 1.00 0.00 N ATOM 1285 CA PHE A 83 81.782 46.109 -21.461 1.00 0.00 C ATOM 1286 C PHE A 83 83.258 45.730 -21.549 1.00 0.00 C ATOM 1287 O PHE A 83 83.917 45.515 -20.531 1.00 0.00 O ATOM 1288 CB PHE A 83 80.915 44.854 -21.566 1.00 0.00 C ATOM 1289 CG PHE A 83 79.625 44.951 -20.801 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.628 45.242 -19.447 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.411 44.749 -21.437 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.444 45.332 -18.740 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.223 44.839 -20.736 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.240 45.129 -19.386 1.00 0.00 C ATOM 0 H PHE A 83 80.931 46.648 -23.300 1.00 0.00 H new ATOM 0 HA PHE A 83 81.603 46.586 -20.497 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.692 44.663 -22.616 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.482 43.998 -21.199 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.567 45.401 -18.937 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.393 44.519 -22.492 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.460 45.561 -17.685 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.283 44.683 -21.244 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.313 45.197 -18.836 1.00 0.00 H new ATOM 1304 N LEU A 84 83.770 45.651 -22.772 1.00 0.00 N ATOM 1305 CA LEU A 84 85.168 45.297 -22.994 1.00 0.00 C ATOM 1306 C LEU A 84 86.096 46.254 -22.253 1.00 0.00 C ATOM 1307 O LEU A 84 87.181 45.868 -21.817 1.00 0.00 O ATOM 1308 CB LEU A 84 85.487 45.316 -24.490 1.00 0.00 C ATOM 1309 CG LEU A 84 85.478 43.959 -25.195 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.433 44.142 -26.704 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.696 43.140 -24.792 1.00 0.00 C ATOM 0 H LEU A 84 83.239 45.827 -23.625 1.00 0.00 H new ATOM 0 HA LEU A 84 85.329 44.291 -22.606 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.766 45.966 -24.987 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.470 45.767 -24.626 1.00 0.00 H new ATOM 0 HG LEU A 84 84.583 43.418 -24.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.427 43.166 -27.189 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.530 44.688 -26.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.309 44.703 -27.029 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.673 42.178 -25.303 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.603 43.677 -25.070 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.685 42.978 -23.714 1.00 0.00 H new ATOM 1323 N ARG A 85 85.661 47.502 -22.112 1.00 0.00 N ATOM 1324 CA ARG A 85 86.453 48.513 -21.422 1.00 0.00 C ATOM 1325 C ARG A 85 86.464 48.261 -19.917 1.00 0.00 C ATOM 1326 O ARG A 85 87.398 48.655 -19.219 1.00 0.00 O ATOM 1327 CB ARG A 85 85.900 49.909 -21.712 1.00 0.00 C ATOM 1328 CG ARG A 85 85.870 50.258 -23.191 1.00 0.00 C ATOM 1329 CD ARG A 85 84.617 51.039 -23.555 1.00 0.00 C ATOM 1330 NE ARG A 85 84.919 52.200 -24.387 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.312 52.115 -25.653 1.00 0.00 C ATOM 1332 NH1 ARG A 85 85.450 50.929 -26.230 1.00 0.00 N ATOM 1333 NH2 ARG A 85 85.567 53.218 -26.345 1.00 0.00 N ATOM 0 H ARG A 85 84.765 47.837 -22.466 1.00 0.00 H new ATOM 0 HA ARG A 85 87.477 48.451 -21.791 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.889 49.981 -21.310 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.506 50.647 -21.186 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.752 50.845 -23.445 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.914 49.344 -23.782 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.923 50.385 -24.083 1.00 0.00 H new ATOM 0 HD3 ARG A 85 84.116 51.366 -22.644 1.00 0.00 H new ATOM 0 HE ARG A 85 84.823 53.127 -23.973 1.00 0.00 H new ATOM 0 HH11 ARG A 85 85.254 50.079 -25.702 1.00 0.00 H new ATOM 0 HH12 ARG A 85 85.752 50.867 -27.202 1.00 0.00 H new ATOM 0 HH21 ARG A 85 85.461 54.132 -25.905 1.00 0.00 H new ATOM 0 HH22 ARG A 85 85.869 53.152 -27.317 1.00 0.00 H new ATOM 1347 N ALA A 86 85.419 47.604 -19.424 1.00 0.00 N ATOM 1348 CA ALA A 86 85.310 47.298 -18.003 1.00 0.00 C ATOM 1349 C ALA A 86 85.986 45.972 -17.673 1.00 0.00 C ATOM 1350 O ALA A 86 86.649 45.839 -16.644 1.00 0.00 O ATOM 1351 CB ALA A 86 83.848 47.268 -17.581 1.00 0.00 C ATOM 0 H ALA A 86 84.636 47.274 -19.988 1.00 0.00 H new ATOM 0 HA ALA A 86 85.821 48.084 -17.447 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.781 47.038 -16.518 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.394 48.241 -17.772 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.320 46.503 -18.151 1.00 0.00 H new ATOM 1357 N THR A 87 85.813 44.990 -18.553 1.00 0.00 N ATOM 1358 CA THR A 87 86.404 43.673 -18.354 1.00 0.00 C ATOM 1359 C THR A 87 86.799 43.041 -19.683 1.00 0.00 C ATOM 1360 O THR A 87 86.483 43.567 -20.751 1.00 0.00 O ATOM 1361 CB THR A 87 85.437 42.728 -17.616 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.113 41.519 -17.255 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.232 42.401 -18.485 1.00 0.00 C ATOM 0 H THR A 87 85.268 45.083 -19.410 1.00 0.00 H new ATOM 0 HA THR A 87 87.296 43.816 -17.744 1.00 0.00 H new ATOM 0 HB THR A 87 85.089 43.232 -16.714 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.869 41.730 -16.669 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.563 41.732 -17.943 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.702 43.321 -18.734 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.566 41.915 -19.402 1.00 0.00 H new ATOM 1371 N THR A 88 87.490 41.907 -19.613 1.00 0.00 N ATOM 1372 CA THR A 88 87.928 41.203 -20.811 1.00 0.00 C ATOM 1373 C THR A 88 86.748 40.567 -21.538 1.00 0.00 C ATOM 1374 O THR A 88 85.691 40.341 -20.947 1.00 0.00 O ATOM 1375 CB THR A 88 88.959 40.109 -20.475 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.311 39.007 -19.830 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.055 40.657 -19.574 1.00 0.00 C ATOM 0 H THR A 88 87.758 41.457 -18.738 1.00 0.00 H new ATOM 0 HA THR A 88 88.394 41.944 -21.460 1.00 0.00 H new ATOM 0 HB THR A 88 89.412 39.769 -21.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.973 38.315 -19.621 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.771 39.866 -19.350 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.565 41.477 -20.079 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.615 41.021 -18.646 1.00 0.00 H new ATOM 1385 N LEU A 89 86.934 40.280 -22.821 1.00 0.00 N ATOM 1386 CA LEU A 89 85.884 39.669 -23.629 1.00 0.00 C ATOM 1387 C LEU A 89 85.367 38.392 -22.973 1.00 0.00 C ATOM 1388 O LEU A 89 84.164 38.127 -22.970 1.00 0.00 O ATOM 1389 CB LEU A 89 86.408 39.359 -25.032 1.00 0.00 C ATOM 1390 CG LEU A 89 85.370 39.371 -26.154 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.285 38.339 -25.890 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.763 40.759 -26.304 1.00 0.00 C ATOM 0 H LEU A 89 87.802 40.460 -23.325 1.00 0.00 H new ATOM 0 HA LEU A 89 85.059 40.377 -23.705 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.186 40.083 -25.276 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.881 38.377 -25.013 1.00 0.00 H new ATOM 0 HG LEU A 89 85.870 39.111 -27.087 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.556 38.363 -26.700 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.733 37.347 -25.834 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.788 38.567 -24.947 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.026 40.749 -27.107 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.279 41.047 -25.371 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.549 41.476 -26.541 1.00 0.00 H new ATOM 1404 N TYR A 90 86.282 37.606 -22.418 1.00 0.00 N ATOM 1405 CA TYR A 90 85.918 36.357 -21.759 1.00 0.00 C ATOM 1406 C TYR A 90 84.861 36.595 -20.686 1.00 0.00 C ATOM 1407 O TYR A 90 84.035 35.726 -20.409 1.00 0.00 O ATOM 1408 CB TYR A 90 87.154 35.705 -21.137 1.00 0.00 C ATOM 1409 CG TYR A 90 86.844 34.461 -20.336 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.478 34.546 -18.998 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.919 33.200 -20.916 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.194 33.412 -18.262 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.636 32.061 -20.187 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.274 32.172 -18.861 1.00 0.00 C ATOM 1415 OH TYR A 90 85.993 31.040 -18.132 1.00 0.00 O ATOM 0 H TYR A 90 87.281 37.811 -22.411 1.00 0.00 H new ATOM 0 HA TYR A 90 85.502 35.687 -22.511 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.858 35.451 -21.929 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.650 36.429 -20.490 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.415 35.515 -18.526 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.203 33.109 -21.954 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.911 33.496 -17.223 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.698 31.089 -20.653 1.00 0.00 H new ATOM 0 HH TYR A 90 86.095 30.250 -18.702 1.00 0.00 H new ATOM 1425 N ASN A 91 84.893 37.780 -20.085 1.00 0.00 N ATOM 1426 CA ASN A 91 83.938 38.134 -19.041 1.00 0.00 C ATOM 1427 C ASN A 91 82.714 38.824 -19.635 1.00 0.00 C ATOM 1428 O ASN A 91 81.587 38.611 -19.186 1.00 0.00 O ATOM 1429 CB ASN A 91 84.598 39.045 -18.004 1.00 0.00 C ATOM 1430 CG ASN A 91 85.309 38.264 -16.917 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.176 37.043 -16.826 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.069 38.966 -16.084 1.00 0.00 N ATOM 0 H ASN A 91 85.570 38.511 -20.303 1.00 0.00 H new ATOM 0 HA ASN A 91 83.614 37.215 -18.553 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.312 39.701 -18.503 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.840 39.684 -17.551 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.571 38.495 -15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.150 39.977 -16.197 1.00 0.00 H new ATOM 1439 N THR A 92 82.942 39.652 -20.650 1.00 0.00 N ATOM 1440 CA THR A 92 81.859 40.374 -21.306 1.00 0.00 C ATOM 1441 C THR A 92 80.786 39.416 -21.810 1.00 0.00 C ATOM 1442 O THR A 92 79.603 39.752 -21.835 1.00 0.00 O ATOM 1443 CB THR A 92 82.379 41.213 -22.488 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.337 42.171 -22.025 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.234 41.930 -23.187 1.00 0.00 C ATOM 0 H THR A 92 83.868 39.839 -21.036 1.00 0.00 H new ATOM 0 HA THR A 92 81.426 41.040 -20.560 1.00 0.00 H new ATOM 0 HB THR A 92 82.855 40.540 -23.201 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.119 41.703 -21.663 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.625 42.516 -24.018 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.521 41.196 -23.564 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.734 42.592 -22.480 1.00 0.00 H new ATOM 1453 N GLU A 93 81.208 38.220 -22.211 1.00 0.00 N ATOM 1454 CA GLU A 93 80.281 37.214 -22.716 1.00 0.00 C ATOM 1455 C GLU A 93 79.487 36.585 -21.575 1.00 0.00 C ATOM 1456 O GLU A 93 78.370 36.107 -21.771 1.00 0.00 O ATOM 1457 CB GLU A 93 81.040 36.128 -23.482 1.00 0.00 C ATOM 1458 CG GLU A 93 81.709 36.633 -24.750 1.00 0.00 C ATOM 1459 CD GLU A 93 81.419 35.756 -25.952 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.253 35.339 -26.115 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.358 35.486 -26.730 1.00 0.00 O ATOM 0 H GLU A 93 82.184 37.925 -22.196 1.00 0.00 H new ATOM 0 HA GLU A 93 79.584 37.707 -23.393 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.798 35.696 -22.828 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.348 35.326 -23.741 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.370 37.648 -24.956 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.786 36.683 -24.593 1.00 0.00 H new ATOM 1468 N VAL A 94 80.073 36.589 -20.381 1.00 0.00 N ATOM 1469 CA VAL A 94 79.421 36.021 -19.208 1.00 0.00 C ATOM 1470 C VAL A 94 78.415 36.998 -18.610 1.00 0.00 C ATOM 1471 O VAL A 94 77.432 36.592 -17.989 1.00 0.00 O ATOM 1472 CB VAL A 94 80.448 35.633 -18.127 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.756 34.970 -16.946 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.516 34.721 -18.711 1.00 0.00 C ATOM 0 H VAL A 94 80.998 36.980 -20.202 1.00 0.00 H new ATOM 0 HA VAL A 94 78.898 35.124 -19.541 1.00 0.00 H new ATOM 0 HB VAL A 94 80.934 36.541 -17.769 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.497 34.703 -16.193 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.032 35.661 -16.514 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.242 34.070 -17.284 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.233 34.457 -17.934 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.049 33.815 -19.097 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.032 35.237 -19.521 1.00 0.00 H new ATOM 1484 N LEU A 95 78.667 38.288 -18.802 1.00 0.00 N ATOM 1485 CA LEU A 95 77.782 39.326 -18.282 1.00 0.00 C ATOM 1486 C LEU A 95 76.596 39.547 -19.214 1.00 0.00 C ATOM 1487 O LEU A 95 75.441 39.382 -18.817 1.00 0.00 O ATOM 1488 CB LEU A 95 78.553 40.635 -18.098 1.00 0.00 C ATOM 1489 CG LEU A 95 79.770 40.573 -17.175 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.747 41.691 -17.506 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.339 40.653 -15.718 1.00 0.00 C ATOM 0 H LEU A 95 79.476 38.641 -19.313 1.00 0.00 H new ATOM 0 HA LEU A 95 77.403 38.996 -17.315 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.883 40.980 -19.078 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.866 41.387 -17.710 1.00 0.00 H new ATOM 0 HG LEU A 95 80.274 39.619 -17.332 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.607 41.632 -16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.081 41.589 -18.539 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.254 42.655 -17.378 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.218 40.607 -15.075 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.812 41.591 -15.546 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.678 39.818 -15.488 1.00 0.00 H new ATOM 1503 N LEU A 96 76.887 39.920 -20.456 1.00 0.00 N ATOM 1504 CA LEU A 96 75.844 40.162 -21.446 1.00 0.00 C ATOM 1505 C LEU A 96 74.894 38.971 -21.539 1.00 0.00 C ATOM 1506 O LEU A 96 73.675 39.134 -21.508 1.00 0.00 O ATOM 1507 CB LEU A 96 76.468 40.438 -22.815 1.00 0.00 C ATOM 1508 CG LEU A 96 75.520 40.972 -23.890 1.00 0.00 C ATOM 1509 CD1 LEU A 96 74.881 42.277 -23.438 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.259 41.166 -25.205 1.00 0.00 C ATOM 0 H LEU A 96 77.837 40.061 -20.801 1.00 0.00 H new ATOM 0 HA LEU A 96 75.273 41.035 -21.130 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.278 41.155 -22.685 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.916 39.514 -23.181 1.00 0.00 H new ATOM 0 HG LEU A 96 74.729 40.238 -24.046 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.210 42.642 -24.215 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.316 42.107 -22.521 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.659 43.018 -23.253 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.568 41.546 -25.958 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.071 41.879 -25.064 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.668 40.212 -25.537 1.00 0.00 H new ATOM 1522 N SER A 97 75.462 37.775 -21.650 1.00 0.00 N ATOM 1523 CA SER A 97 74.666 36.557 -21.748 1.00 0.00 C ATOM 1524 C SER A 97 73.682 36.456 -20.587 1.00 0.00 C ATOM 1525 O SER A 97 72.495 36.194 -20.785 1.00 0.00 O ATOM 1526 CB SER A 97 75.577 35.328 -21.768 1.00 0.00 C ATOM 1527 OG SER A 97 74.820 34.132 -21.696 1.00 0.00 O ATOM 0 H SER A 97 76.470 37.623 -21.674 1.00 0.00 H new ATOM 0 HA SER A 97 74.100 36.596 -22.679 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.175 35.329 -22.679 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.273 35.373 -20.930 1.00 0.00 H new ATOM 0 HG SER A 97 75.424 33.361 -21.712 1.00 0.00 H new ATOM 1533 N HIS A 98 74.184 36.667 -19.374 1.00 0.00 N ATOM 1534 CA HIS A 98 73.350 36.600 -18.179 1.00 0.00 C ATOM 1535 C HIS A 98 72.249 37.656 -18.226 1.00 0.00 C ATOM 1536 O HIS A 98 71.088 37.372 -17.929 1.00 0.00 O ATOM 1537 CB HIS A 98 74.202 36.790 -16.925 1.00 0.00 C ATOM 1538 CG HIS A 98 73.531 36.329 -15.668 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.236 36.671 -15.338 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.981 35.547 -14.659 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.920 36.120 -14.180 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.961 35.433 -13.747 1.00 0.00 N ATOM 0 H HIS A 98 75.164 36.886 -19.193 1.00 0.00 H new ATOM 0 HA HIS A 98 72.884 35.615 -18.146 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.139 36.247 -17.047 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.456 37.845 -16.825 1.00 0.00 H new ATOM 0 HD2 HIS A 98 74.960 35.097 -14.585 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.971 36.215 -13.673 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.001 34.903 -12.876 1.00 0.00 H new ATOM 1550 N LEU A 99 72.622 38.875 -18.599 1.00 0.00 N ATOM 1551 CA LEU A 99 71.667 39.975 -18.684 1.00 0.00 C ATOM 1552 C LEU A 99 70.610 39.697 -19.748 1.00 0.00 C ATOM 1553 O LEU A 99 69.489 40.199 -19.670 1.00 0.00 O ATOM 1554 CB LEU A 99 72.393 41.284 -19.000 1.00 0.00 C ATOM 1555 CG LEU A 99 72.343 42.358 -17.912 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.952 41.836 -16.619 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.063 43.617 -18.373 1.00 0.00 C ATOM 0 H LEU A 99 73.579 39.127 -18.847 1.00 0.00 H new ATOM 0 HA LEU A 99 71.169 40.067 -17.719 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.438 41.055 -19.209 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.969 41.700 -19.914 1.00 0.00 H new ATOM 0 HG LEU A 99 71.299 42.609 -17.723 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.908 42.613 -15.856 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.394 40.963 -16.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.991 41.557 -16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.018 44.371 -17.587 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.105 43.381 -18.590 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.583 44.002 -19.273 1.00 0.00 H new ATOM 1569 N SER A 100 70.974 38.893 -20.742 1.00 0.00 N ATOM 1570 CA SER A 100 70.058 38.549 -21.823 1.00 0.00 C ATOM 1571 C SER A 100 69.214 37.333 -21.453 1.00 0.00 C ATOM 1572 O SER A 100 68.100 37.163 -21.949 1.00 0.00 O ATOM 1573 CB SER A 100 70.836 38.272 -23.110 1.00 0.00 C ATOM 1574 OG SER A 100 69.966 37.882 -24.158 1.00 0.00 O ATOM 0 H SER A 100 71.898 38.467 -20.821 1.00 0.00 H new ATOM 0 HA SER A 100 69.392 39.396 -21.985 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.388 39.165 -23.404 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.571 37.487 -22.932 1.00 0.00 H new ATOM 0 HG SER A 100 70.488 37.712 -24.970 1.00 0.00 H new ATOM 1580 N TYR A 101 69.753 36.490 -20.580 1.00 0.00 N ATOM 1581 CA TYR A 101 69.052 35.288 -20.145 1.00 0.00 C ATOM 1582 C TYR A 101 67.783 35.645 -19.377 1.00 0.00 C ATOM 1583 O TYR A 101 66.796 34.909 -19.408 1.00 0.00 O ATOM 1584 CB TYR A 101 69.966 34.428 -19.271 1.00 0.00 C ATOM 1585 CG TYR A 101 69.268 33.236 -18.655 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.597 33.349 -17.443 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.280 31.997 -19.283 1.00 0.00 C ATOM 1588 CE1 TYR A 101 67.958 32.263 -16.876 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.643 30.906 -18.725 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.984 31.044 -17.521 1.00 0.00 C ATOM 1591 OH TYR A 101 67.349 29.960 -16.960 1.00 0.00 O ATOM 0 H TYR A 101 70.674 36.617 -20.159 1.00 0.00 H new ATOM 0 HA TYR A 101 68.770 34.721 -21.032 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.805 34.077 -19.872 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.381 35.047 -18.475 1.00 0.00 H new ATOM 0 HD1 TYR A 101 68.575 34.302 -16.936 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.797 31.885 -20.225 1.00 0.00 H new ATOM 0 HE1 TYR A 101 67.441 32.368 -15.933 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.661 29.951 -19.228 1.00 0.00 H new ATOM 0 HH TYR A 101 67.461 29.179 -17.541 1.00 0.00 H new ATOM 1601 N LEU A 102 67.816 36.780 -18.688 1.00 0.00 N ATOM 1602 CA LEU A 102 66.669 37.238 -17.911 1.00 0.00 C ATOM 1603 C LEU A 102 65.535 37.687 -18.827 1.00 0.00 C ATOM 1604 O LEU A 102 64.367 37.389 -18.578 1.00 0.00 O ATOM 1605 CB LEU A 102 67.079 38.387 -16.988 1.00 0.00 C ATOM 1606 CG LEU A 102 68.334 38.155 -16.146 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.989 39.481 -15.788 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.995 37.370 -14.887 1.00 0.00 C ATOM 0 H LEU A 102 68.625 37.401 -18.651 1.00 0.00 H new ATOM 0 HA LEU A 102 66.314 36.403 -17.307 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.233 39.278 -17.596 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.248 38.600 -16.315 1.00 0.00 H new ATOM 0 HG LEU A 102 69.040 37.571 -16.736 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.881 39.296 -15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.268 40.007 -16.701 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.288 40.091 -15.218 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.900 37.214 -14.300 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.270 37.928 -14.294 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.571 36.404 -15.163 1.00 0.00 H new ATOM 1620 N ARG A 103 65.888 38.403 -19.890 1.00 0.00 N ATOM 1621 CA ARG A 103 64.900 38.892 -20.844 1.00 0.00 C ATOM 1622 C ARG A 103 64.083 37.739 -21.419 1.00 0.00 C ATOM 1623 O ARG A 103 62.913 37.906 -21.763 1.00 0.00 O ATOM 1624 CB ARG A 103 65.588 39.658 -21.975 1.00 0.00 C ATOM 1625 CG ARG A 103 65.334 41.156 -21.939 1.00 0.00 C ATOM 1626 CD ARG A 103 66.240 41.898 -22.909 1.00 0.00 C ATOM 1627 NE ARG A 103 65.501 42.864 -23.719 1.00 0.00 N ATOM 1628 CZ ARG A 103 65.106 44.050 -23.270 1.00 0.00 C ATOM 1629 NH1 ARG A 103 65.379 44.415 -22.025 1.00 0.00 N ATOM 1630 NH2 ARG A 103 64.438 44.874 -24.067 1.00 0.00 N ATOM 0 H ARG A 103 66.851 38.657 -20.112 1.00 0.00 H new ATOM 0 HA ARG A 103 64.224 39.566 -20.317 1.00 0.00 H new ATOM 0 HB2 ARG A 103 66.662 39.479 -21.923 1.00 0.00 H new ATOM 0 HB3 ARG A 103 65.245 39.263 -22.931 1.00 0.00 H new ATOM 0 HG2 ARG A 103 64.292 41.355 -22.188 1.00 0.00 H new ATOM 0 HG3 ARG A 103 65.498 41.530 -20.928 1.00 0.00 H new ATOM 0 HD2 ARG A 103 67.022 42.415 -22.352 1.00 0.00 H new ATOM 0 HD3 ARG A 103 66.736 41.181 -23.563 1.00 0.00 H new ATOM 0 HE ARG A 103 65.276 42.614 -24.682 1.00 0.00 H new ATOM 0 HH11 ARG A 103 65.893 43.785 -21.410 1.00 0.00 H new ATOM 0 HH12 ARG A 103 65.075 45.326 -21.682 1.00 0.00 H new ATOM 0 HH21 ARG A 103 64.227 44.597 -25.026 1.00 0.00 H new ATOM 0 HH22 ARG A 103 64.135 45.784 -23.721 1.00 0.00 H new ATOM 1644 N GLU A 104 64.708 36.570 -21.521 1.00 0.00 N ATOM 1645 CA GLU A 104 64.038 35.391 -22.056 1.00 0.00 C ATOM 1646 C GLU A 104 63.055 34.815 -21.040 1.00 0.00 C ATOM 1647 O GLU A 104 62.066 34.182 -21.408 1.00 0.00 O ATOM 1648 CB GLU A 104 65.066 34.327 -22.447 1.00 0.00 C ATOM 1649 CG GLU A 104 65.060 33.991 -23.929 1.00 0.00 C ATOM 1650 CD GLU A 104 65.449 32.551 -24.202 1.00 0.00 C ATOM 1651 OE1 GLU A 104 66.641 32.217 -24.035 1.00 0.00 O ATOM 1652 OE2 GLU A 104 64.563 31.758 -24.583 1.00 0.00 O ATOM 0 H GLU A 104 65.676 36.415 -21.240 1.00 0.00 H new ATOM 0 HA GLU A 104 63.481 35.692 -22.943 1.00 0.00 H new ATOM 0 HB2 GLU A 104 66.060 34.674 -22.166 1.00 0.00 H new ATOM 0 HB3 GLU A 104 64.872 33.419 -21.876 1.00 0.00 H new ATOM 0 HG2 GLU A 104 64.066 34.179 -24.336 1.00 0.00 H new ATOM 0 HG3 GLU A 104 65.749 34.655 -24.451 1.00 0.00 H new ATOM 1659 N SER A 105 63.336 35.041 -19.761 1.00 0.00 N ATOM 1660 CA SER A 105 62.481 34.541 -18.691 1.00 0.00 C ATOM 1661 C SER A 105 61.128 35.247 -18.703 1.00 0.00 C ATOM 1662 O SER A 105 60.122 34.691 -18.263 1.00 0.00 O ATOM 1663 CB SER A 105 63.158 34.737 -17.333 1.00 0.00 C ATOM 1664 OG SER A 105 62.474 34.029 -16.315 1.00 0.00 O ATOM 0 H SER A 105 64.149 35.567 -19.440 1.00 0.00 H new ATOM 0 HA SER A 105 62.319 33.476 -18.857 1.00 0.00 H new ATOM 0 HB2 SER A 105 64.192 34.395 -17.386 1.00 0.00 H new ATOM 0 HB3 SER A 105 63.185 35.798 -17.087 1.00 0.00 H new ATOM 0 HG SER A 105 62.927 34.169 -15.458 1.00 0.00 H new ATOM 1670 N SER A 106 61.113 36.475 -19.210 1.00 0.00 N ATOM 1671 CA SER A 106 59.885 37.260 -19.277 1.00 0.00 C ATOM 1672 C SER A 106 58.790 36.493 -20.012 1.00 0.00 C ATOM 1673 O SER A 106 57.600 36.703 -19.771 1.00 0.00 O ATOM 1674 CB SER A 106 60.146 38.595 -19.977 1.00 0.00 C ATOM 1675 OG SER A 106 58.985 39.409 -19.971 1.00 0.00 O ATOM 0 H SER A 106 61.937 36.949 -19.581 1.00 0.00 H new ATOM 0 HA SER A 106 59.549 37.452 -18.258 1.00 0.00 H new ATOM 0 HB2 SER A 106 60.963 39.117 -19.479 1.00 0.00 H new ATOM 0 HB3 SER A 106 60.463 38.415 -21.004 1.00 0.00 H new ATOM 0 HG SER A 106 59.178 40.257 -20.423 1.00 0.00 H new ATOM 1681 N LEU A 107 59.200 35.603 -20.909 1.00 0.00 N ATOM 1682 CA LEU A 107 58.254 34.803 -21.680 1.00 0.00 C ATOM 1683 C LEU A 107 57.300 34.049 -20.759 1.00 0.00 C ATOM 1684 O LEU A 107 56.172 33.734 -21.140 1.00 0.00 O ATOM 1685 CB LEU A 107 59.004 33.815 -22.576 1.00 0.00 C ATOM 1686 CG LEU A 107 59.366 34.319 -23.974 1.00 0.00 C ATOM 1687 CD1 LEU A 107 60.628 35.166 -23.925 1.00 0.00 C ATOM 1688 CD2 LEU A 107 59.543 33.150 -24.932 1.00 0.00 C ATOM 0 H LEU A 107 60.180 35.417 -21.120 1.00 0.00 H new ATOM 0 HA LEU A 107 57.668 35.478 -22.304 1.00 0.00 H new ATOM 0 HB2 LEU A 107 59.923 33.520 -22.069 1.00 0.00 H new ATOM 0 HB3 LEU A 107 58.396 32.917 -22.681 1.00 0.00 H new ATOM 0 HG LEU A 107 58.549 34.942 -24.339 1.00 0.00 H new ATOM 0 HD11 LEU A 107 60.871 35.516 -24.928 1.00 0.00 H new ATOM 0 HD12 LEU A 107 60.466 36.023 -23.271 1.00 0.00 H new ATOM 0 HD13 LEU A 107 61.453 34.567 -23.540 1.00 0.00 H new ATOM 0 HD21 LEU A 107 59.800 33.527 -25.922 1.00 0.00 H new ATOM 0 HD22 LEU A 107 60.342 32.502 -24.571 1.00 0.00 H new ATOM 0 HD23 LEU A 107 58.614 32.583 -24.990 1.00 0.00 H new ATOM 1700 N LEU A 108 57.759 33.764 -19.546 1.00 0.00 N ATOM 1701 CA LEU A 108 56.946 33.049 -18.568 1.00 0.00 C ATOM 1702 C LEU A 108 55.922 33.980 -17.927 1.00 0.00 C ATOM 1703 O LEU A 108 54.840 33.548 -17.530 1.00 0.00 O ATOM 1704 CB LEU A 108 57.837 32.431 -17.489 1.00 0.00 C ATOM 1705 CG LEU A 108 58.299 33.375 -16.378 1.00 0.00 C ATOM 1706 CD1 LEU A 108 57.315 33.356 -15.218 1.00 0.00 C ATOM 1707 CD2 LEU A 108 59.694 32.998 -15.903 1.00 0.00 C ATOM 0 H LEU A 108 58.690 34.017 -19.216 1.00 0.00 H new ATOM 0 HA LEU A 108 56.411 32.254 -19.088 1.00 0.00 H new ATOM 0 HB2 LEU A 108 57.298 31.601 -17.032 1.00 0.00 H new ATOM 0 HB3 LEU A 108 58.719 32.011 -17.972 1.00 0.00 H new ATOM 0 HG LEU A 108 58.336 34.388 -16.780 1.00 0.00 H new ATOM 0 HD11 LEU A 108 57.660 34.034 -14.437 1.00 0.00 H new ATOM 0 HD12 LEU A 108 56.334 33.676 -15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 108 57.245 32.345 -14.817 1.00 0.00 H new ATOM 0 HD21 LEU A 108 60.006 33.681 -15.113 1.00 0.00 H new ATOM 0 HD22 LEU A 108 59.684 31.978 -15.519 1.00 0.00 H new ATOM 0 HD23 LEU A 108 60.393 33.065 -16.737 1.00 0.00 H new ATOM 1719 N ALA A 109 56.270 35.258 -17.831 1.00 0.00 N ATOM 1720 CA ALA A 109 55.379 36.251 -17.242 1.00 0.00 C ATOM 1721 C ALA A 109 54.022 36.250 -17.937 1.00 0.00 C ATOM 1722 O ALA A 109 52.991 36.484 -17.306 1.00 0.00 O ATOM 1723 CB ALA A 109 56.010 37.634 -17.312 1.00 0.00 C ATOM 0 H ALA A 109 57.163 35.631 -18.153 1.00 0.00 H new ATOM 0 HA ALA A 109 55.222 35.988 -16.196 1.00 0.00 H new ATOM 0 HB1 ALA A 109 55.334 38.365 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA A 109 56.952 37.632 -16.764 1.00 0.00 H new ATOM 0 HB3 ALA A 109 56.196 37.897 -18.353 1.00 0.00 H new ATOM 1729 N TYR A 110 54.029 35.987 -19.239 1.00 0.00 N ATOM 1730 CA TYR A 110 52.798 35.960 -20.019 1.00 0.00 C ATOM 1731 C TYR A 110 51.815 34.939 -19.452 1.00 0.00 C ATOM 1732 O TYR A 110 51.953 33.738 -19.677 1.00 0.00 O ATOM 1733 CB TYR A 110 53.103 35.631 -21.482 1.00 0.00 C ATOM 1734 CG TYR A 110 53.794 36.754 -22.223 1.00 0.00 C ATOM 1735 CD1 TYR A 110 53.300 38.052 -22.173 1.00 0.00 C ATOM 1736 CD2 TYR A 110 54.938 36.517 -22.973 1.00 0.00 C ATOM 1737 CE1 TYR A 110 53.927 39.081 -22.849 1.00 0.00 C ATOM 1738 CE2 TYR A 110 55.572 37.540 -23.651 1.00 0.00 C ATOM 1739 CZ TYR A 110 55.063 38.820 -23.586 1.00 0.00 C ATOM 1740 OH TYR A 110 55.690 39.842 -24.262 1.00 0.00 O ATOM 0 H TYR A 110 54.873 35.790 -19.776 1.00 0.00 H new ATOM 0 HA TYR A 110 52.341 36.948 -19.962 1.00 0.00 H new ATOM 0 HB2 TYR A 110 53.730 34.740 -21.522 1.00 0.00 H new ATOM 0 HB3 TYR A 110 52.171 35.389 -21.993 1.00 0.00 H new ATOM 0 HD1 TYR A 110 52.411 38.260 -21.596 1.00 0.00 H new ATOM 0 HD2 TYR A 110 55.339 35.516 -23.027 1.00 0.00 H new ATOM 0 HE1 TYR A 110 53.530 40.084 -22.801 1.00 0.00 H new ATOM 0 HE2 TYR A 110 56.462 37.338 -24.229 1.00 0.00 H new ATOM 0 HH TYR A 110 56.476 39.491 -24.731 1.00 0.00 H new ATOM 1750 N ASN A 111 50.823 35.429 -18.715 1.00 0.00 N ATOM 1751 CA ASN A 111 49.817 34.561 -18.115 1.00 0.00 C ATOM 1752 C ASN A 111 48.459 35.255 -18.065 1.00 0.00 C ATOM 1753 O ASN A 111 47.822 35.324 -17.014 1.00 0.00 O ATOM 1754 CB ASN A 111 50.244 34.149 -16.705 1.00 0.00 C ATOM 1755 CG ASN A 111 49.692 32.794 -16.306 1.00 0.00 C ATOM 1756 OD1 ASN A 111 48.485 32.630 -16.131 1.00 0.00 O ATOM 1757 ND2 ASN A 111 50.577 31.815 -16.160 1.00 0.00 N ATOM 0 H ASN A 111 50.695 36.422 -18.519 1.00 0.00 H new ATOM 0 HA ASN A 111 49.727 33.669 -18.735 1.00 0.00 H new ATOM 0 HB2 ASN A 111 51.332 34.125 -16.650 1.00 0.00 H new ATOM 0 HB3 ASN A 111 49.905 34.900 -15.992 1.00 0.00 H new ATOM 0 HD21 ASN A 111 50.265 30.881 -15.892 1.00 0.00 H new ATOM 0 HD22 ASN A 111 51.569 31.997 -16.315 1.00 0.00 H new ATOM 1764 N THR A 112 48.021 35.770 -19.210 1.00 0.00 N ATOM 1765 CA THR A 112 46.741 36.460 -19.298 1.00 0.00 C ATOM 1766 C THR A 112 45.587 35.521 -18.965 1.00 0.00 C ATOM 1767 O THR A 112 45.413 34.482 -19.603 1.00 0.00 O ATOM 1768 CB THR A 112 46.517 37.052 -20.702 1.00 0.00 C ATOM 1769 OG1 THR A 112 47.227 36.282 -21.678 1.00 0.00 O ATOM 1770 CG2 THR A 112 46.978 38.501 -20.758 1.00 0.00 C ATOM 0 H THR A 112 48.535 35.722 -20.090 1.00 0.00 H new ATOM 0 HA THR A 112 46.768 37.271 -18.570 1.00 0.00 H new ATOM 0 HB THR A 112 45.450 37.018 -20.920 1.00 0.00 H new ATOM 0 HG1 THR A 112 47.078 36.664 -22.568 1.00 0.00 H new ATOM 0 HG21 THR A 112 46.810 38.898 -21.759 1.00 0.00 H new ATOM 0 HG22 THR A 112 46.414 39.090 -20.035 1.00 0.00 H new ATOM 0 HG23 THR A 112 48.040 38.554 -20.520 1.00 0.00 H new ATOM 1778 N THR A 113 44.798 35.893 -17.962 1.00 0.00 N ATOM 1779 CA THR A 113 43.660 35.084 -17.544 1.00 0.00 C ATOM 1780 C THR A 113 42.702 35.890 -16.674 1.00 0.00 C ATOM 1781 O THR A 113 41.491 35.882 -16.895 1.00 0.00 O ATOM 1782 CB THR A 113 44.115 33.835 -16.765 1.00 0.00 C ATOM 1783 OG1 THR A 113 45.545 33.787 -16.708 1.00 0.00 O ATOM 1784 CG2 THR A 113 43.585 32.568 -17.419 1.00 0.00 C ATOM 0 H THR A 113 44.926 36.750 -17.424 1.00 0.00 H new ATOM 0 HA THR A 113 43.145 34.770 -18.452 1.00 0.00 H new ATOM 0 HB THR A 113 43.714 33.898 -15.753 1.00 0.00 H new ATOM 0 HG1 THR A 113 45.824 33.087 -16.081 1.00 0.00 H new ATOM 0 HG21 THR A 113 43.919 31.699 -16.852 1.00 0.00 H new ATOM 0 HG22 THR A 113 42.495 32.595 -17.434 1.00 0.00 H new ATOM 0 HG23 THR A 113 43.961 32.501 -18.440 1.00 0.00 H new ATOM 1792 N SER A 114 43.253 36.586 -15.684 1.00 0.00 N ATOM 1793 CA SER A 114 42.446 37.396 -14.778 1.00 0.00 C ATOM 1794 C SER A 114 43.271 38.535 -14.187 1.00 0.00 C ATOM 1795 O SER A 114 44.474 38.395 -13.965 1.00 0.00 O ATOM 1796 CB SER A 114 41.876 36.528 -13.655 1.00 0.00 C ATOM 1797 OG SER A 114 41.501 37.318 -12.540 1.00 0.00 O ATOM 0 H SER A 114 44.254 36.605 -15.489 1.00 0.00 H new ATOM 0 HA SER A 114 41.623 37.825 -15.349 1.00 0.00 H new ATOM 0 HB2 SER A 114 41.010 35.976 -14.021 1.00 0.00 H new ATOM 0 HB3 SER A 114 42.618 35.790 -13.349 1.00 0.00 H new ATOM 0 HG SER A 114 41.138 36.740 -11.837 1.00 0.00 H new ATOM 1803 N HIS A 115 42.615 39.663 -13.935 1.00 0.00 N ATOM 1804 CA HIS A 115 43.286 40.828 -13.369 1.00 0.00 C ATOM 1805 C HIS A 115 42.590 41.289 -12.092 1.00 0.00 C ATOM 1806 O HIS A 115 41.461 41.779 -12.129 1.00 0.00 O ATOM 1807 CB HIS A 115 43.319 41.969 -14.386 1.00 0.00 C ATOM 1808 CG HIS A 115 44.638 42.114 -15.080 1.00 0.00 C ATOM 1809 ND1 HIS A 115 45.738 42.700 -14.491 1.00 0.00 N ATOM 1810 CD2 HIS A 115 45.030 41.745 -16.322 1.00 0.00 C ATOM 1811 CE1 HIS A 115 46.750 42.686 -15.340 1.00 0.00 C ATOM 1812 NE2 HIS A 115 46.347 42.111 -16.459 1.00 0.00 N ATOM 0 H HIS A 115 41.620 39.795 -14.114 1.00 0.00 H new ATOM 0 HA HIS A 115 44.308 40.542 -13.122 1.00 0.00 H new ATOM 0 HB2 HIS A 115 42.542 41.803 -15.132 1.00 0.00 H new ATOM 0 HB3 HIS A 115 43.080 42.904 -13.879 1.00 0.00 H new ATOM 0 HD2 HIS A 115 44.421 41.254 -17.067 1.00 0.00 H new ATOM 0 HE1 HIS A 115 47.739 43.078 -15.151 1.00 0.00 H new ATOM 0 HE2 HIS A 115 46.920 41.963 -17.290 1.00 0.00 H new ATOM 1820 N THR A 116 43.271 41.129 -10.961 1.00 0.00 N ATOM 1821 CA THR A 116 42.718 41.526 -9.673 1.00 0.00 C ATOM 1822 C THR A 116 43.559 42.622 -9.028 1.00 0.00 C ATOM 1823 O THR A 116 44.779 42.657 -9.188 1.00 0.00 O ATOM 1824 CB THR A 116 42.627 40.330 -8.707 1.00 0.00 C ATOM 1825 OG1 THR A 116 42.155 40.767 -7.428 1.00 0.00 O ATOM 1826 CG2 THR A 116 43.982 39.657 -8.550 1.00 0.00 C ATOM 0 H THR A 116 44.207 40.727 -10.912 1.00 0.00 H new ATOM 0 HA THR A 116 41.714 41.906 -9.864 1.00 0.00 H new ATOM 0 HB THR A 116 41.926 39.607 -9.125 1.00 0.00 H new ATOM 0 HG1 THR A 116 42.099 40.000 -6.821 1.00 0.00 H new ATOM 0 HG21 THR A 116 43.893 38.815 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 116 44.325 39.299 -9.521 1.00 0.00 H new ATOM 0 HG23 THR A 116 44.701 40.374 -8.153 1.00 0.00 H new ATOM 1834 N ASP A 117 42.899 43.515 -8.298 1.00 0.00 N ATOM 1835 CA ASP A 117 43.587 44.612 -7.628 1.00 0.00 C ATOM 1836 C ASP A 117 43.416 44.517 -6.115 1.00 0.00 C ATOM 1837 O ASP A 117 42.657 45.280 -5.517 1.00 0.00 O ATOM 1838 CB ASP A 117 43.057 45.957 -8.129 1.00 0.00 C ATOM 1839 CG ASP A 117 43.181 46.103 -9.633 1.00 0.00 C ATOM 1840 OD1 ASP A 117 42.329 45.545 -10.355 1.00 0.00 O ATOM 1841 OD2 ASP A 117 44.130 46.776 -10.088 1.00 0.00 O ATOM 0 H ASP A 117 41.889 43.500 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 117 44.649 44.538 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.011 46.062 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.604 46.764 -7.642 1.00 0.00 H new ATOM 1846 N GLN A 118 44.124 43.574 -5.503 1.00 0.00 N ATOM 1847 CA GLN A 118 44.049 43.377 -4.060 1.00 0.00 C ATOM 1848 C GLN A 118 45.378 43.716 -3.394 1.00 0.00 C ATOM 1849 O GLN A 118 46.064 42.837 -2.872 1.00 0.00 O ATOM 1850 CB GLN A 118 43.658 41.933 -3.740 1.00 0.00 C ATOM 1851 CG GLN A 118 43.389 41.689 -2.264 1.00 0.00 C ATOM 1852 CD GLN A 118 42.473 40.504 -2.026 1.00 0.00 C ATOM 1853 OE1 GLN A 118 42.932 39.397 -1.742 1.00 0.00 O ATOM 1854 NE2 GLN A 118 41.170 40.731 -2.141 1.00 0.00 N ATOM 0 H GLN A 118 44.756 42.934 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 118 43.285 44.048 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 118 42.767 41.671 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 118 44.456 41.268 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 118 44.335 41.521 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 118 42.942 42.582 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 118 40.834 41.664 -2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 118 40.505 39.972 -1.992 1.00 0.00 H new ATOM 1863 N SER A 119 45.737 44.996 -3.416 1.00 0.00 N ATOM 1864 CA SER A 119 46.987 45.450 -2.818 1.00 0.00 C ATOM 1865 C SER A 119 46.719 46.402 -1.657 1.00 0.00 C ATOM 1866 O SER A 119 47.373 47.437 -1.524 1.00 0.00 O ATOM 1867 CB SER A 119 47.858 46.141 -3.869 1.00 0.00 C ATOM 1868 OG SER A 119 47.130 47.145 -4.554 1.00 0.00 O ATOM 0 H SER A 119 45.180 45.737 -3.842 1.00 0.00 H new ATOM 0 HA SER A 119 47.516 44.578 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 119 48.731 46.584 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 119 48.226 45.404 -4.582 1.00 0.00 H new ATOM 0 HG SER A 119 47.709 47.573 -5.219 1.00 0.00 H new ATOM 1874 N SER A 120 45.752 46.045 -0.817 1.00 0.00 N ATOM 1875 CA SER A 120 45.394 46.869 0.332 1.00 0.00 C ATOM 1876 C SER A 120 45.916 46.252 1.626 1.00 0.00 C ATOM 1877 O SER A 120 45.243 45.432 2.251 1.00 0.00 O ATOM 1878 CB SER A 120 43.876 47.039 0.410 1.00 0.00 C ATOM 1879 OG SER A 120 43.475 47.443 1.708 1.00 0.00 O ATOM 0 H SER A 120 45.203 45.191 -0.911 1.00 0.00 H new ATOM 0 HA SER A 120 45.856 47.848 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 120 43.552 47.779 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 120 43.388 46.100 0.151 1.00 0.00 H new ATOM 0 HG SER A 120 42.501 47.546 1.732 1.00 0.00 H new ATOM 1885 N ARG A 121 47.120 46.653 2.021 1.00 0.00 N ATOM 1886 CA ARG A 121 47.734 46.140 3.240 1.00 0.00 C ATOM 1887 C ARG A 121 48.033 47.273 4.217 1.00 0.00 C ATOM 1888 O ARG A 121 48.336 48.395 3.809 1.00 0.00 O ATOM 1889 CB ARG A 121 49.022 45.384 2.909 1.00 0.00 C ATOM 1890 CG ARG A 121 48.794 44.121 2.095 1.00 0.00 C ATOM 1891 CD ARG A 121 49.723 43.000 2.536 1.00 0.00 C ATOM 1892 NE ARG A 121 51.120 43.424 2.560 1.00 0.00 N ATOM 1893 CZ ARG A 121 52.123 42.631 2.922 1.00 0.00 C ATOM 1894 NH1 ARG A 121 51.884 41.379 3.286 1.00 0.00 N ATOM 1895 NH2 ARG A 121 53.368 43.090 2.918 1.00 0.00 N ATOM 0 H ARG A 121 47.689 47.331 1.515 1.00 0.00 H new ATOM 0 HA ARG A 121 47.029 45.454 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 121 49.690 46.046 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 121 49.528 45.121 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 121 47.758 43.800 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 121 48.954 44.334 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 121 49.431 42.657 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 121 49.613 42.152 1.861 1.00 0.00 H new ATOM 0 HE ARG A 121 51.338 44.381 2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 121 50.928 41.022 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 121 52.656 40.772 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 121 53.556 44.052 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 121 54.137 42.481 3.196 1.00 0.00 H new ATOM 1909 N LEU A 122 47.946 46.973 5.508 1.00 0.00 N ATOM 1910 CA LEU A 122 48.207 47.967 6.544 1.00 0.00 C ATOM 1911 C LEU A 122 49.545 47.702 7.227 1.00 0.00 C ATOM 1912 O LEU A 122 49.663 46.797 8.053 1.00 0.00 O ATOM 1913 CB LEU A 122 47.082 47.960 7.580 1.00 0.00 C ATOM 1914 CG LEU A 122 46.286 49.258 7.715 1.00 0.00 C ATOM 1915 CD1 LEU A 122 47.138 50.344 8.354 1.00 0.00 C ATOM 1916 CD2 LEU A 122 45.771 49.712 6.357 1.00 0.00 C ATOM 0 H LEU A 122 47.697 46.050 5.863 1.00 0.00 H new ATOM 0 HA LEU A 122 48.250 48.948 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 122 46.389 47.157 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 122 47.512 47.718 8.552 1.00 0.00 H new ATOM 0 HG LEU A 122 45.429 49.070 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 122 46.554 51.260 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.457 50.021 9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 122 48.015 50.531 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 122 45.207 50.637 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 122 46.614 49.882 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 122 45.123 48.942 5.938 1.00 0.00 H new ATOM 1928 N SER A 123 50.550 48.499 6.878 1.00 0.00 N ATOM 1929 CA SER A 123 51.880 48.351 7.457 1.00 0.00 C ATOM 1930 C SER A 123 51.931 48.944 8.861 1.00 0.00 C ATOM 1931 O SER A 123 51.012 49.645 9.285 1.00 0.00 O ATOM 1932 CB SER A 123 52.925 49.027 6.567 1.00 0.00 C ATOM 1933 OG SER A 123 54.100 48.241 6.472 1.00 0.00 O ATOM 0 H SER A 123 50.468 49.254 6.197 1.00 0.00 H new ATOM 0 HA SER A 123 52.104 47.286 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 123 52.510 49.188 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 123 53.172 50.008 6.972 1.00 0.00 H new ATOM 0 HG SER A 123 54.751 48.694 5.897 1.00 0.00 H new ATOM 1939 N VAL A 124 53.013 48.657 9.579 1.00 0.00 N ATOM 1940 CA VAL A 124 53.186 49.163 10.935 1.00 0.00 C ATOM 1941 C VAL A 124 54.498 49.927 11.074 1.00 0.00 C ATOM 1942 O VAL A 124 55.355 49.878 10.191 1.00 0.00 O ATOM 1943 CB VAL A 124 53.159 48.020 11.968 1.00 0.00 C ATOM 1944 CG1 VAL A 124 51.818 47.302 11.935 1.00 0.00 C ATOM 1945 CG2 VAL A 124 54.300 47.047 11.714 1.00 0.00 C ATOM 0 H VAL A 124 53.782 48.077 9.244 1.00 0.00 H new ATOM 0 HA VAL A 124 52.353 49.839 11.129 1.00 0.00 H new ATOM 0 HB VAL A 124 53.290 48.448 12.962 1.00 0.00 H new ATOM 0 HG11 VAL A 124 51.818 46.498 12.671 1.00 0.00 H new ATOM 0 HG12 VAL A 124 51.021 48.008 12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 124 51.653 46.885 10.942 1.00 0.00 H new ATOM 0 HG21 VAL A 124 54.266 46.246 12.452 1.00 0.00 H new ATOM 0 HG22 VAL A 124 54.201 46.624 10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 124 55.251 47.573 11.793 1.00 0.00 H new ATOM 1955 N LYS A 125 54.650 50.634 12.189 1.00 0.00 N ATOM 1956 CA LYS A 125 55.858 51.408 12.446 1.00 0.00 C ATOM 1957 C LYS A 125 55.952 51.798 13.917 1.00 0.00 C ATOM 1958 O LYS A 125 54.955 52.170 14.534 1.00 0.00 O ATOM 1959 CB LYS A 125 55.879 52.665 11.572 1.00 0.00 C ATOM 1960 CG LYS A 125 57.273 53.220 11.339 1.00 0.00 C ATOM 1961 CD LYS A 125 57.832 52.778 9.997 1.00 0.00 C ATOM 1962 CE LYS A 125 59.136 53.491 9.675 1.00 0.00 C ATOM 1963 NZ LYS A 125 59.986 52.698 8.743 1.00 0.00 N ATOM 0 H LYS A 125 53.951 50.687 12.930 1.00 0.00 H new ATOM 0 HA LYS A 125 56.718 50.785 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 125 55.423 52.436 10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 125 55.265 53.434 12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 125 57.244 54.309 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 125 57.936 52.888 12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 125 57.998 51.701 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 125 57.102 52.980 9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 125 58.919 54.462 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 125 59.685 53.678 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 60.866 53.218 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 60.215 51.781 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 59.472 52.541 7.853 1.00 0.00 H new ATOM 1977 N GLU A 126 57.157 51.710 14.473 1.00 0.00 N ATOM 1978 CA GLU A 126 57.379 52.054 15.872 1.00 0.00 C ATOM 1979 C GLU A 126 58.188 53.343 15.993 1.00 0.00 C ATOM 1980 O GLU A 126 58.827 53.779 15.036 1.00 0.00 O ATOM 1981 CB GLU A 126 58.104 50.915 16.591 1.00 0.00 C ATOM 1982 CG GLU A 126 59.453 50.570 15.982 1.00 0.00 C ATOM 1983 CD GLU A 126 60.142 49.425 16.699 1.00 0.00 C ATOM 1984 OE1 GLU A 126 59.479 48.397 16.951 1.00 0.00 O ATOM 1985 OE2 GLU A 126 61.345 49.558 17.008 1.00 0.00 O ATOM 0 H GLU A 126 57.993 51.404 13.976 1.00 0.00 H new ATOM 0 HA GLU A 126 56.407 52.210 16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 126 58.246 51.189 17.636 1.00 0.00 H new ATOM 0 HB3 GLU A 126 57.471 50.027 16.578 1.00 0.00 H new ATOM 0 HG2 GLU A 126 59.317 50.307 14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 126 60.096 51.450 16.010 1.00 0.00 H new ATOM 1992 N ASP A 127 58.153 53.946 17.176 1.00 0.00 N ATOM 1993 CA ASP A 127 58.882 55.185 17.424 1.00 0.00 C ATOM 1994 C ASP A 127 58.695 55.646 18.866 1.00 0.00 C ATOM 1995 O ASP A 127 57.755 55.247 19.554 1.00 0.00 O ATOM 1996 CB ASP A 127 58.416 56.278 16.461 1.00 0.00 C ATOM 1997 CG ASP A 127 56.944 56.158 16.119 1.00 0.00 C ATOM 1998 OD1 ASP A 127 56.109 56.254 17.044 1.00 0.00 O ATOM 1999 OD2 ASP A 127 56.625 55.970 14.927 1.00 0.00 O ATOM 0 H ASP A 127 57.628 53.598 17.978 1.00 0.00 H new ATOM 0 HA ASP A 127 59.942 54.993 17.257 1.00 0.00 H new ATOM 0 HB2 ASP A 127 58.604 57.255 16.906 1.00 0.00 H new ATOM 0 HB3 ASP A 127 59.004 56.226 15.545 1.00 0.00 H new ATOM 2004 N PRO A 128 59.610 56.506 19.336 1.00 0.00 N ATOM 2005 CA PRO A 128 59.568 57.040 20.701 1.00 0.00 C ATOM 2006 C PRO A 128 58.409 58.008 20.909 1.00 0.00 C ATOM 2007 O PRO A 128 57.787 58.028 21.971 1.00 0.00 O ATOM 2008 CB PRO A 128 60.906 57.770 20.838 1.00 0.00 C ATOM 2009 CG PRO A 128 61.286 58.130 19.443 1.00 0.00 C ATOM 2010 CD PRO A 128 60.757 57.024 18.572 1.00 0.00 C ATOM 0 HA PRO A 128 59.418 56.254 21.442 1.00 0.00 H new ATOM 0 HB2 PRO A 128 60.811 58.657 21.464 1.00 0.00 H new ATOM 0 HB3 PRO A 128 61.659 57.133 21.301 1.00 0.00 H new ATOM 0 HG2 PRO A 128 60.858 59.091 19.157 1.00 0.00 H new ATOM 0 HG3 PRO A 128 62.368 58.221 19.344 1.00 0.00 H new ATOM 0 HD2 PRO A 128 60.453 57.394 17.593 1.00 0.00 H new ATOM 0 HD3 PRO A 128 61.508 56.252 18.402 1.00 0.00 H new TER 2018 PRO A 128