USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1069 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 60 ASN : amide:sc= 0.0917 K(o=0.29,f=-4.3!) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0.197 USER MOD Set 2.1: A 21 MET CE :methyl -149:sc= 0 (180deg=-0.766) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 ASN : amide:sc= -1.19 K(o=-1.9,f=-7.4!) USER MOD Set 3.2: A 35 SER OG : rot 180:sc= -0.677 USER MOD Set 4.1: A 25 ASN : amide:sc= 0.126 K(o=0.72,f=-1.7!) USER MOD Set 4.2: A 42 SER OG : rot -96:sc= -0.474 USER MOD Set 4.3: A 44 THR OG1 : rot -27:sc= 1.07 USER MOD Set 5.1: A 19 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.1!) USER MOD Set 5.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 27 LYS NZ :NH3+ -108:sc= -2.17 (180deg=-3.51!) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0866 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -130:sc= -0.673 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 147:sc= -0.141 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.452 F(o=-1.9,f=-0.45) USER MOD Single : A 12 SER OG : rot -160:sc= -0.661 USER MOD Single : A 15 GLN : amide:sc= -2.12 K(o=-2.1,f=-5.3!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -65:sc= 0.441 USER MOD Single : A 46 THR OG1 : rot 100:sc= 0.468 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.841 (180deg=-1.89!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.421! F(o=-1.4,f=-0.42!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 TYR OH : rot 108:sc= 0.15! USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 78 SER OG : rot 28:sc= 1.16 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.732 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 116 ASN : amide:sc= -3.98 X(o=-4,f=-4.3) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.492 K(o=-0.49,f=-4.9!) USER MOD Single : A 126 SER OG : rot 19:sc= 0.768 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 118.184 -21.025 17.497 1.00 0.00 N ATOM 2 CA ALA A 1 117.426 -19.771 17.221 1.00 0.00 C ATOM 3 C ALA A 1 117.242 -19.611 15.715 1.00 0.00 C ATOM 4 O ALA A 1 118.028 -20.132 14.925 1.00 0.00 O ATOM 5 CB ALA A 1 118.201 -18.577 17.782 1.00 0.00 C ATOM 0 H1 ALA A 1 117.551 -21.723 17.937 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.556 -21.409 16.605 1.00 0.00 H new ATOM 0 H3 ALA A 1 118.974 -20.819 18.141 1.00 0.00 H new ATOM 0 HA ALA A 1 116.447 -19.819 17.698 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.649 -17.659 17.582 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.326 -18.698 18.858 1.00 0.00 H new ATOM 0 HB3 ALA A 1 119.180 -18.523 17.306 1.00 0.00 H new ATOM 13 N THR A 2 116.195 -18.887 15.326 1.00 0.00 N ATOM 14 CA THR A 2 115.905 -18.660 13.913 1.00 0.00 C ATOM 15 C THR A 2 115.853 -17.164 13.614 1.00 0.00 C ATOM 16 O THR A 2 115.677 -16.347 14.517 1.00 0.00 O ATOM 17 CB THR A 2 114.564 -19.300 13.546 1.00 0.00 C ATOM 18 OG1 THR A 2 113.530 -18.682 14.299 1.00 0.00 O ATOM 19 CG2 THR A 2 114.604 -20.798 13.856 1.00 0.00 C ATOM 0 H THR A 2 115.535 -18.448 15.968 1.00 0.00 H new ATOM 0 HA THR A 2 116.699 -19.113 13.319 1.00 0.00 H new ATOM 0 HB THR A 2 114.373 -19.162 12.482 1.00 0.00 H new ATOM 0 HG1 THR A 2 112.978 -19.371 14.724 1.00 0.00 H new ATOM 0 HG21 THR A 2 113.647 -21.250 13.593 1.00 0.00 H new ATOM 0 HG22 THR A 2 115.399 -21.268 13.277 1.00 0.00 H new ATOM 0 HG23 THR A 2 114.795 -20.945 14.919 1.00 0.00 H new ATOM 27 N SER A 3 116.007 -16.816 12.340 1.00 0.00 N ATOM 28 CA SER A 3 116.000 -15.414 11.938 1.00 0.00 C ATOM 29 C SER A 3 115.856 -15.292 10.424 1.00 0.00 C ATOM 30 O SER A 3 116.342 -16.140 9.674 1.00 0.00 O ATOM 31 CB SER A 3 117.298 -14.737 12.384 1.00 0.00 C ATOM 32 OG SER A 3 117.224 -13.349 12.088 1.00 0.00 O ATOM 0 H SER A 3 116.137 -17.478 11.575 1.00 0.00 H new ATOM 0 HA SER A 3 115.151 -14.923 12.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 117.452 -14.886 13.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 118.151 -15.185 11.874 1.00 0.00 H new ATOM 0 HG SER A 3 118.052 -12.909 12.373 1.00 0.00 H new ATOM 38 N THR A 4 115.188 -14.231 9.980 1.00 0.00 N ATOM 39 CA THR A 4 115.006 -13.987 8.551 1.00 0.00 C ATOM 40 C THR A 4 115.513 -12.597 8.188 1.00 0.00 C ATOM 41 O THR A 4 115.329 -11.643 8.944 1.00 0.00 O ATOM 42 CB THR A 4 113.523 -14.104 8.186 1.00 0.00 C ATOM 43 OG1 THR A 4 112.998 -15.320 8.707 1.00 0.00 O ATOM 44 CG2 THR A 4 113.368 -14.090 6.665 1.00 0.00 C ATOM 0 H THR A 4 114.765 -13.528 10.586 1.00 0.00 H new ATOM 0 HA THR A 4 115.574 -14.731 7.993 1.00 0.00 H new ATOM 0 HB THR A 4 112.978 -13.262 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 4 112.059 -15.191 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 4 112.312 -14.173 6.406 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.767 -13.157 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 4 113.914 -14.930 6.236 1.00 0.00 H new ATOM 52 N VAL A 5 116.151 -12.485 7.025 1.00 0.00 N ATOM 53 CA VAL A 5 116.701 -11.203 6.581 1.00 0.00 C ATOM 54 C VAL A 5 116.118 -10.829 5.222 1.00 0.00 C ATOM 55 O VAL A 5 116.148 -11.628 4.287 1.00 0.00 O ATOM 56 CB VAL A 5 118.231 -11.288 6.482 1.00 0.00 C ATOM 57 CG1 VAL A 5 118.804 -9.917 6.115 1.00 0.00 C ATOM 58 CG2 VAL A 5 118.814 -11.727 7.829 1.00 0.00 C ATOM 0 H VAL A 5 116.300 -13.258 6.377 1.00 0.00 H new ATOM 0 HA VAL A 5 116.435 -10.437 7.309 1.00 0.00 H new ATOM 0 HB VAL A 5 118.495 -12.014 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 5 119.890 -9.983 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.398 -9.598 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 5 118.533 -9.192 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 5 119.900 -11.786 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.542 -11.002 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.415 -12.706 8.096 1.00 0.00 H new ATOM 68 N THR A 6 115.590 -9.611 5.115 1.00 0.00 N ATOM 69 CA THR A 6 114.986 -9.154 3.865 1.00 0.00 C ATOM 70 C THR A 6 115.566 -7.810 3.441 1.00 0.00 C ATOM 71 O THR A 6 115.852 -6.952 4.274 1.00 0.00 O ATOM 72 CB THR A 6 113.471 -9.027 4.034 1.00 0.00 C ATOM 73 OG1 THR A 6 112.948 -10.249 4.535 1.00 0.00 O ATOM 74 CG2 THR A 6 112.827 -8.713 2.683 1.00 0.00 C ATOM 0 H THR A 6 115.568 -8.928 5.872 1.00 0.00 H new ATOM 0 HA THR A 6 115.207 -9.889 3.091 1.00 0.00 H new ATOM 0 HB THR A 6 113.251 -8.221 4.734 1.00 0.00 H new ATOM 0 HG1 THR A 6 111.978 -10.169 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.748 -8.623 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.228 -7.775 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.046 -9.517 1.980 1.00 0.00 H new ATOM 82 N GLY A 7 115.741 -7.638 2.137 1.00 0.00 N ATOM 83 CA GLY A 7 116.165 -6.355 1.593 1.00 0.00 C ATOM 84 C GLY A 7 115.353 -6.057 0.342 1.00 0.00 C ATOM 85 O GLY A 7 115.068 -6.968 -0.434 1.00 0.00 O ATOM 0 H GLY A 7 115.597 -8.368 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 116.022 -5.567 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.228 -6.379 1.355 1.00 0.00 H new ATOM 89 N GLY A 8 114.966 -4.797 0.158 1.00 0.00 N ATOM 90 CA GLY A 8 114.121 -4.450 -0.976 1.00 0.00 C ATOM 91 C GLY A 8 114.121 -2.953 -1.235 1.00 0.00 C ATOM 92 O GLY A 8 114.898 -2.208 -0.639 1.00 0.00 O ATOM 0 H GLY A 8 115.218 -4.017 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 8 114.471 -4.974 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 8 113.102 -4.787 -0.788 1.00 0.00 H new ATOM 96 N TYR A 9 113.206 -2.515 -2.094 1.00 0.00 N ATOM 97 CA TYR A 9 113.144 -1.114 -2.489 1.00 0.00 C ATOM 98 C TYR A 9 111.713 -0.604 -2.392 1.00 0.00 C ATOM 99 O TYR A 9 110.760 -1.378 -2.483 1.00 0.00 O ATOM 100 CB TYR A 9 113.681 -0.949 -3.914 1.00 0.00 C ATOM 101 CG TYR A 9 112.801 -1.557 -4.987 1.00 0.00 C ATOM 102 CD1 TYR A 9 112.925 -2.914 -5.307 1.00 0.00 C ATOM 103 CD2 TYR A 9 111.867 -0.760 -5.659 1.00 0.00 C ATOM 104 CE1 TYR A 9 112.113 -3.476 -6.299 1.00 0.00 C ATOM 105 CE2 TYR A 9 111.054 -1.322 -6.650 1.00 0.00 C ATOM 106 CZ TYR A 9 111.177 -2.680 -6.972 1.00 0.00 C ATOM 107 OH TYR A 9 110.377 -3.234 -7.949 1.00 0.00 O ATOM 0 H TYR A 9 112.500 -3.109 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 9 113.765 -0.525 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 9 113.805 0.114 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 9 114.670 -1.403 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 9 113.647 -3.527 -4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 9 111.774 0.287 -5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 9 112.208 -4.523 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 9 110.331 -0.708 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 9 109.783 -2.546 -8.315 1.00 0.00 H new ATOM 117 N ALA A 10 111.581 0.700 -2.193 1.00 0.00 N ATOM 118 CA ALA A 10 110.272 1.326 -2.085 1.00 0.00 C ATOM 119 C ALA A 10 110.194 2.532 -3.009 1.00 0.00 C ATOM 120 O ALA A 10 111.169 3.265 -3.162 1.00 0.00 O ATOM 121 CB ALA A 10 110.036 1.785 -0.646 1.00 0.00 C ATOM 0 H ALA A 10 112.366 1.345 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 10 109.511 0.599 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.055 2.253 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.081 0.925 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 10 110.804 2.505 -0.363 1.00 0.00 H new ATOM 127 N GLN A 11 109.032 2.730 -3.618 1.00 0.00 N ATOM 128 CA GLN A 11 108.812 3.896 -4.469 1.00 0.00 C ATOM 129 C GLN A 11 107.683 4.730 -3.885 1.00 0.00 C ATOM 130 O GLN A 11 106.634 4.189 -3.529 1.00 0.00 O ATOM 131 CB GLN A 11 108.444 3.449 -5.885 1.00 0.00 C ATOM 132 CG GLN A 11 108.417 4.663 -6.817 1.00 0.00 C ATOM 133 CD GLN A 11 109.841 5.079 -7.170 1.00 0.00 C ATOM 134 OE1 GLN A 11 110.292 6.235 -6.770 1.00 0.00 O flip ATOM 135 NE2 GLN A 11 110.564 4.329 -7.828 1.00 0.00 N flip ATOM 0 H GLN A 11 108.231 2.104 -3.541 1.00 0.00 H new ATOM 0 HA GLN A 11 109.725 4.490 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 11 109.167 2.717 -6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 11 107.470 2.959 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 11 107.863 4.423 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 11 107.896 5.490 -6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 11 110.211 3.425 -8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 11 111.516 4.612 -8.060 1.00 0.00 H new ATOM 144 N SER A 12 107.903 6.038 -3.773 1.00 0.00 N ATOM 145 CA SER A 12 106.898 6.934 -3.212 1.00 0.00 C ATOM 146 C SER A 12 106.349 7.840 -4.306 1.00 0.00 C ATOM 147 O SER A 12 107.114 8.350 -5.128 1.00 0.00 O ATOM 148 CB SER A 12 107.515 7.787 -2.104 1.00 0.00 C ATOM 149 OG SER A 12 106.492 8.545 -1.474 1.00 0.00 O ATOM 0 H SER A 12 108.766 6.499 -4.063 1.00 0.00 H new ATOM 0 HA SER A 12 106.087 6.338 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 12 108.014 7.150 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 108.273 8.451 -2.519 1.00 0.00 H new ATOM 0 HG SER A 12 106.892 9.305 -1.002 1.00 0.00 H new ATOM 155 N ASP A 13 105.041 8.080 -4.260 1.00 0.00 N ATOM 156 CA ASP A 13 104.364 8.803 -5.331 1.00 0.00 C ATOM 157 C ASP A 13 104.595 10.305 -5.217 1.00 0.00 C ATOM 158 O ASP A 13 104.377 10.907 -4.166 1.00 0.00 O ATOM 159 CB ASP A 13 102.863 8.513 -5.283 1.00 0.00 C ATOM 160 CG ASP A 13 102.169 9.157 -6.479 1.00 0.00 C ATOM 161 OD1 ASP A 13 102.160 8.544 -7.535 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.654 10.252 -6.322 1.00 0.00 O ATOM 0 H ASP A 13 104.432 7.786 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 13 104.777 8.464 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.692 7.437 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.439 8.898 -4.355 1.00 0.00 H new ATOM 167 N ALA A 14 105.041 10.889 -6.321 1.00 0.00 N ATOM 168 CA ALA A 14 105.373 12.308 -6.364 1.00 0.00 C ATOM 169 C ALA A 14 104.206 13.130 -6.899 1.00 0.00 C ATOM 170 O ALA A 14 103.481 12.699 -7.796 1.00 0.00 O ATOM 171 CB ALA A 14 106.607 12.528 -7.244 1.00 0.00 C ATOM 0 H ALA A 14 105.182 10.399 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 14 105.586 12.638 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.849 13.590 -7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.451 11.974 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 14 106.400 12.177 -8.255 1.00 0.00 H new ATOM 177 N GLN A 15 104.037 14.320 -6.334 1.00 0.00 N ATOM 178 CA GLN A 15 103.001 15.243 -6.780 1.00 0.00 C ATOM 179 C GLN A 15 103.570 16.129 -7.882 1.00 0.00 C ATOM 180 O GLN A 15 104.779 16.343 -7.939 1.00 0.00 O ATOM 181 CB GLN A 15 102.524 16.108 -5.612 1.00 0.00 C ATOM 182 CG GLN A 15 101.882 15.213 -4.542 1.00 0.00 C ATOM 183 CD GLN A 15 101.240 16.009 -3.392 1.00 0.00 C ATOM 184 OE1 GLN A 15 100.648 15.398 -2.501 1.00 0.00 O ATOM 185 NE2 GLN A 15 101.307 17.316 -3.324 1.00 0.00 N ATOM 0 H GLN A 15 104.607 14.669 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 15 102.151 14.678 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 15 103.363 16.658 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.804 16.847 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.123 14.586 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 15 102.640 14.545 -4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 15 101.793 17.840 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 15 100.874 17.809 -2.543 1.00 0.00 H new ATOM 194 N GLY A 16 102.709 16.628 -8.764 1.00 0.00 N ATOM 195 CA GLY A 16 103.165 17.302 -9.980 1.00 0.00 C ATOM 196 C GLY A 16 104.228 18.362 -9.693 1.00 0.00 C ATOM 197 O GLY A 16 104.283 18.922 -8.599 1.00 0.00 O ATOM 0 H GLY A 16 101.695 16.580 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.569 16.563 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.313 17.769 -10.475 1.00 0.00 H new ATOM 201 N GLN A 17 105.082 18.590 -10.689 1.00 0.00 N ATOM 202 CA GLN A 17 106.240 19.473 -10.553 1.00 0.00 C ATOM 203 C GLN A 17 107.226 18.953 -9.504 1.00 0.00 C ATOM 204 O GLN A 17 107.893 19.738 -8.828 1.00 0.00 O ATOM 205 CB GLN A 17 105.799 20.896 -10.197 1.00 0.00 C ATOM 206 CG GLN A 17 104.920 21.454 -11.318 1.00 0.00 C ATOM 207 CD GLN A 17 104.396 22.841 -10.951 1.00 0.00 C ATOM 208 OE1 GLN A 17 104.401 23.226 -9.781 1.00 0.00 O ATOM 209 NE2 GLN A 17 103.939 23.621 -11.892 1.00 0.00 N ATOM 0 H GLN A 17 104.991 18.168 -11.613 1.00 0.00 H new ATOM 0 HA GLN A 17 106.749 19.490 -11.517 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.248 20.893 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.672 21.533 -10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.493 21.509 -12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.083 20.780 -11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 17 103.935 23.303 -12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.586 24.549 -11.659 1.00 0.00 H new ATOM 218 N MET A 18 107.328 17.629 -9.380 1.00 0.00 N ATOM 219 CA MET A 18 108.320 17.010 -8.504 1.00 0.00 C ATOM 220 C MET A 18 108.707 15.638 -9.050 1.00 0.00 C ATOM 221 O MET A 18 108.079 15.134 -9.980 1.00 0.00 O ATOM 222 CB MET A 18 107.776 16.847 -7.082 1.00 0.00 C ATOM 223 CG MET A 18 107.393 18.211 -6.506 1.00 0.00 C ATOM 224 SD MET A 18 106.876 18.014 -4.783 1.00 0.00 S ATOM 225 CE MET A 18 106.382 19.731 -4.495 1.00 0.00 C ATOM 0 H MET A 18 106.734 16.965 -9.877 1.00 0.00 H new ATOM 0 HA MET A 18 109.194 17.661 -8.472 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.906 16.190 -7.090 1.00 0.00 H new ATOM 0 HB3 MET A 18 108.527 16.374 -6.449 1.00 0.00 H new ATOM 0 HG2 MET A 18 108.240 18.894 -6.567 1.00 0.00 H new ATOM 0 HG3 MET A 18 106.586 18.651 -7.091 1.00 0.00 H new ATOM 0 HE1 MET A 18 106.022 19.839 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 18 107.239 20.387 -4.650 1.00 0.00 H new ATOM 0 HE3 MET A 18 105.587 20.002 -5.190 1.00 0.00 H new ATOM 235 N ASN A 19 109.743 15.039 -8.469 1.00 0.00 N ATOM 236 CA ASN A 19 110.182 13.707 -8.884 1.00 0.00 C ATOM 237 C ASN A 19 109.880 12.674 -7.801 1.00 0.00 C ATOM 238 O ASN A 19 109.811 13.004 -6.617 1.00 0.00 O ATOM 239 CB ASN A 19 111.687 13.718 -9.170 1.00 0.00 C ATOM 240 CG ASN A 19 111.985 14.615 -10.370 1.00 0.00 C ATOM 241 OD1 ASN A 19 112.910 15.425 -10.326 1.00 0.00 O ATOM 242 ND2 ASN A 19 111.253 14.513 -11.446 1.00 0.00 N ATOM 0 H ASN A 19 110.292 15.450 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 19 109.638 13.436 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 19 112.229 14.076 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 19 112.035 12.704 -9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 19 111.447 15.106 -12.253 1.00 0.00 H new ATOM 0 HD22 ASN A 19 110.487 13.841 -11.480 1.00 0.00 H new ATOM 249 N LYS A 20 109.698 11.424 -8.217 1.00 0.00 N ATOM 250 CA LYS A 20 109.418 10.344 -7.276 1.00 0.00 C ATOM 251 C LYS A 20 110.618 10.119 -6.363 1.00 0.00 C ATOM 252 O LYS A 20 111.716 10.598 -6.647 1.00 0.00 O ATOM 253 CB LYS A 20 109.102 9.056 -8.038 1.00 0.00 C ATOM 254 CG LYS A 20 107.824 9.246 -8.856 1.00 0.00 C ATOM 255 CD LYS A 20 107.449 7.927 -9.532 1.00 0.00 C ATOM 256 CE LYS A 20 106.242 8.145 -10.448 1.00 0.00 C ATOM 257 NZ LYS A 20 106.703 8.692 -11.755 1.00 0.00 N ATOM 0 H LYS A 20 109.739 11.135 -9.194 1.00 0.00 H new ATOM 0 HA LYS A 20 108.556 10.623 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 20 109.932 8.797 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.979 8.229 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 107.012 9.579 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 20 107.972 10.022 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 108.293 7.550 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 107.216 7.174 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.714 7.204 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.538 8.834 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.883 8.840 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 107.189 9.598 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 107.359 8.019 -12.201 1.00 0.00 H new ATOM 271 N MET A 21 110.414 9.391 -5.265 1.00 0.00 N ATOM 272 CA MET A 21 111.491 9.170 -4.297 1.00 0.00 C ATOM 273 C MET A 21 111.778 7.680 -4.144 1.00 0.00 C ATOM 274 O MET A 21 110.870 6.860 -4.262 1.00 0.00 O ATOM 275 CB MET A 21 111.100 9.757 -2.940 1.00 0.00 C ATOM 276 CG MET A 21 110.977 11.277 -3.058 1.00 0.00 C ATOM 277 SD MET A 21 110.626 11.984 -1.429 1.00 0.00 S ATOM 278 CE MET A 21 110.426 13.701 -1.967 1.00 0.00 C ATOM 0 H MET A 21 109.527 8.949 -5.025 1.00 0.00 H new ATOM 0 HA MET A 21 112.390 9.665 -4.663 1.00 0.00 H new ATOM 0 HB2 MET A 21 110.154 9.330 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.849 9.499 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 21 111.900 11.697 -3.457 1.00 0.00 H new ATOM 0 HG3 MET A 21 110.181 11.535 -3.757 1.00 0.00 H new ATOM 0 HE1 MET A 21 110.743 14.372 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 21 111.036 13.878 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 21 109.379 13.888 -2.204 1.00 0.00 H new ATOM 288 N GLY A 22 113.035 7.338 -3.857 1.00 0.00 N ATOM 289 CA GLY A 22 113.428 5.936 -3.748 1.00 0.00 C ATOM 290 C GLY A 22 113.996 5.647 -2.366 1.00 0.00 C ATOM 291 O GLY A 22 114.773 6.435 -1.836 1.00 0.00 O ATOM 0 H GLY A 22 113.790 8.006 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.566 5.295 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.171 5.700 -4.510 1.00 0.00 H new ATOM 295 N GLY A 23 113.603 4.520 -1.782 1.00 0.00 N ATOM 296 CA GLY A 23 114.054 4.161 -0.441 1.00 0.00 C ATOM 297 C GLY A 23 114.527 2.713 -0.386 1.00 0.00 C ATOM 298 O GLY A 23 113.964 1.846 -1.050 1.00 0.00 O ATOM 0 H GLY A 23 112.976 3.841 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.865 4.823 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 23 113.241 4.308 0.270 1.00 0.00 H new ATOM 302 N PHE A 24 115.573 2.461 0.397 1.00 0.00 N ATOM 303 CA PHE A 24 116.077 1.101 0.571 1.00 0.00 C ATOM 304 C PHE A 24 115.687 0.604 1.957 1.00 0.00 C ATOM 305 O PHE A 24 115.776 1.355 2.928 1.00 0.00 O ATOM 306 CB PHE A 24 117.600 1.081 0.419 1.00 0.00 C ATOM 307 CG PHE A 24 118.072 1.476 -0.960 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.165 0.515 -1.973 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.417 2.807 -1.226 1.00 0.00 C ATOM 310 CE1 PHE A 24 118.603 0.881 -3.251 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.854 3.175 -2.505 1.00 0.00 C ATOM 312 CZ PHE A 24 118.947 2.213 -3.517 1.00 0.00 C ATOM 0 H PHE A 24 116.085 3.174 0.917 1.00 0.00 H new ATOM 0 HA PHE A 24 115.644 0.451 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 24 118.039 1.757 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.967 0.080 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 24 117.898 -0.511 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 24 118.346 3.550 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 24 118.676 0.138 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 24 119.119 4.202 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.284 2.497 -4.503 1.00 0.00 H new ATOM 322 N ASN A 25 115.241 -0.651 2.040 1.00 0.00 N ATOM 323 CA ASN A 25 114.671 -1.168 3.283 1.00 0.00 C ATOM 324 C ASN A 25 115.341 -2.469 3.711 1.00 0.00 C ATOM 325 O ASN A 25 115.550 -3.363 2.890 1.00 0.00 O ATOM 326 CB ASN A 25 113.176 -1.416 3.083 1.00 0.00 C ATOM 327 CG ASN A 25 112.495 -1.600 4.432 1.00 0.00 C ATOM 328 OD1 ASN A 25 112.544 -0.706 5.276 1.00 0.00 O ATOM 329 ND2 ASN A 25 111.857 -2.710 4.685 1.00 0.00 N ATOM 0 H ASN A 25 115.263 -1.320 1.271 1.00 0.00 H new ATOM 0 HA ASN A 25 114.837 -0.428 4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.728 -0.577 2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 25 113.025 -2.302 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 25 111.396 -2.839 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 25 111.819 -3.448 3.982 1.00 0.00 H new ATOM 336 N LEU A 26 115.677 -2.557 4.996 1.00 0.00 N ATOM 337 CA LEU A 26 116.212 -3.788 5.573 1.00 0.00 C ATOM 338 C LEU A 26 115.324 -4.227 6.730 1.00 0.00 C ATOM 339 O LEU A 26 114.883 -3.387 7.515 1.00 0.00 O ATOM 340 CB LEU A 26 117.641 -3.562 6.078 1.00 0.00 C ATOM 341 CG LEU A 26 118.555 -3.184 4.907 1.00 0.00 C ATOM 342 CD1 LEU A 26 118.484 -1.674 4.665 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.998 -3.579 5.233 1.00 0.00 C ATOM 0 H LEU A 26 115.588 -1.787 5.660 1.00 0.00 H new ATOM 0 HA LEU A 26 116.230 -4.563 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 26 117.650 -2.771 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 118.012 -4.465 6.563 1.00 0.00 H new ATOM 0 HG LEU A 26 118.227 -3.711 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 26 119.135 -1.408 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 26 117.458 -1.391 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 118.808 -1.146 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.646 -3.309 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.325 -3.055 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 26 120.052 -4.655 5.401 1.00 0.00 H new ATOM 355 N LYS A 27 115.054 -5.528 6.842 1.00 0.00 N ATOM 356 CA LYS A 27 114.128 -6.015 7.864 1.00 0.00 C ATOM 357 C LYS A 27 114.678 -7.243 8.581 1.00 0.00 C ATOM 358 O LYS A 27 115.326 -8.097 7.974 1.00 0.00 O ATOM 359 CB LYS A 27 112.783 -6.369 7.221 1.00 0.00 C ATOM 360 CG LYS A 27 112.209 -5.137 6.521 1.00 0.00 C ATOM 361 CD LYS A 27 110.763 -5.405 6.097 1.00 0.00 C ATOM 362 CE LYS A 27 110.722 -6.522 5.050 1.00 0.00 C ATOM 363 NZ LYS A 27 110.641 -7.842 5.736 1.00 0.00 N ATOM 0 H LYS A 27 115.456 -6.253 6.248 1.00 0.00 H new ATOM 0 HA LYS A 27 113.997 -5.219 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 27 112.913 -7.179 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 27 112.088 -6.725 7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 27 112.248 -4.277 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.813 -4.889 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.167 -5.687 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 27 110.321 -4.496 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.863 -6.388 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 27 111.612 -6.480 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 111.550 -8.338 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 110.427 -7.697 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 109.889 -8.414 5.301 1.00 0.00 H new ATOM 377 N TYR A 28 114.410 -7.316 9.881 1.00 0.00 N ATOM 378 CA TYR A 28 114.759 -8.489 10.675 1.00 0.00 C ATOM 379 C TYR A 28 113.492 -9.078 11.285 1.00 0.00 C ATOM 380 O TYR A 28 112.657 -8.339 11.808 1.00 0.00 O ATOM 381 CB TYR A 28 115.734 -8.100 11.790 1.00 0.00 C ATOM 382 CG TYR A 28 117.028 -7.516 11.277 1.00 0.00 C ATOM 383 CD1 TYR A 28 118.115 -8.355 11.002 1.00 0.00 C ATOM 384 CD2 TYR A 28 117.144 -6.135 11.080 1.00 0.00 C ATOM 385 CE1 TYR A 28 119.316 -7.814 10.529 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.344 -5.593 10.605 1.00 0.00 C ATOM 387 CZ TYR A 28 119.430 -6.432 10.331 1.00 0.00 C ATOM 388 OH TYR A 28 120.614 -5.896 9.864 1.00 0.00 O ATOM 0 H TYR A 28 113.951 -6.574 10.409 1.00 0.00 H new ATOM 0 HA TYR A 28 115.236 -9.229 10.032 1.00 0.00 H new ATOM 0 HB2 TYR A 28 115.253 -7.376 12.448 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.955 -8.981 12.393 1.00 0.00 H new ATOM 0 HD1 TYR A 28 118.026 -9.420 11.155 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.307 -5.487 11.295 1.00 0.00 H new ATOM 0 HE1 TYR A 28 120.154 -8.461 10.317 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.432 -4.528 10.450 1.00 0.00 H new ATOM 0 HH TYR A 28 120.523 -4.924 9.782 1.00 0.00 H new ATOM 398 N ARG A 29 113.347 -10.396 11.207 1.00 0.00 N ATOM 399 CA ARG A 29 112.138 -11.058 11.694 1.00 0.00 C ATOM 400 C ARG A 29 112.485 -12.305 12.499 1.00 0.00 C ATOM 401 O ARG A 29 113.438 -13.017 12.184 1.00 0.00 O ATOM 402 CB ARG A 29 111.245 -11.441 10.509 1.00 0.00 C ATOM 403 CG ARG A 29 109.920 -12.016 11.020 1.00 0.00 C ATOM 404 CD ARG A 29 109.079 -12.516 9.844 1.00 0.00 C ATOM 405 NE ARG A 29 108.775 -11.417 8.925 1.00 0.00 N ATOM 406 CZ ARG A 29 109.526 -11.112 7.855 1.00 0.00 C ATOM 407 NH1 ARG A 29 110.635 -11.751 7.570 1.00 0.00 N ATOM 408 NH2 ARG A 29 109.148 -10.134 7.079 1.00 0.00 N ATOM 0 H ARG A 29 114.046 -11.026 10.814 1.00 0.00 H new ATOM 0 HA ARG A 29 111.606 -10.365 12.346 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.056 -10.566 9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 29 111.752 -12.174 9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.113 -12.834 11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 29 109.371 -11.253 11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 29 109.616 -13.303 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 29 108.152 -12.956 10.213 1.00 0.00 H new ATOM 0 HE ARG A 29 107.946 -10.852 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 29 110.955 -12.510 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 29 111.178 -11.489 6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 108.295 -9.616 7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 29 109.705 -9.887 6.261 1.00 0.00 H new ATOM 422 N TYR A 30 111.699 -12.563 13.541 1.00 0.00 N ATOM 423 CA TYR A 30 111.859 -13.776 14.333 1.00 0.00 C ATOM 424 C TYR A 30 110.717 -14.737 14.021 1.00 0.00 C ATOM 425 O TYR A 30 109.585 -14.303 13.807 1.00 0.00 O ATOM 426 CB TYR A 30 111.852 -13.435 15.825 1.00 0.00 C ATOM 427 CG TYR A 30 112.975 -12.509 16.234 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.248 -13.026 16.497 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.739 -11.133 16.346 1.00 0.00 C ATOM 430 CE1 TYR A 30 115.286 -12.166 16.876 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.778 -10.276 16.725 1.00 0.00 C ATOM 432 CZ TYR A 30 115.051 -10.792 16.990 1.00 0.00 C ATOM 433 OH TYR A 30 116.076 -9.944 17.362 1.00 0.00 O ATOM 0 H TYR A 30 110.947 -11.949 13.855 1.00 0.00 H new ATOM 0 HA TYR A 30 112.811 -14.244 14.083 1.00 0.00 H new ATOM 0 HB2 TYR A 30 110.898 -12.973 16.080 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.923 -14.357 16.401 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.430 -14.087 16.408 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.757 -10.734 16.140 1.00 0.00 H new ATOM 0 HE1 TYR A 30 116.269 -12.564 17.080 1.00 0.00 H new ATOM 0 HE2 TYR A 30 113.597 -9.215 16.813 1.00 0.00 H new ATOM 0 HH TYR A 30 115.744 -9.023 17.392 1.00 0.00 H new ATOM 443 N GLU A 31 111.014 -16.033 13.991 1.00 0.00 N ATOM 444 CA GLU A 31 109.993 -17.017 13.644 1.00 0.00 C ATOM 445 C GLU A 31 109.313 -17.523 14.910 1.00 0.00 C ATOM 446 O GLU A 31 109.963 -18.017 15.830 1.00 0.00 O ATOM 447 CB GLU A 31 110.623 -18.191 12.891 1.00 0.00 C ATOM 448 CG GLU A 31 111.263 -17.685 11.594 1.00 0.00 C ATOM 449 CD GLU A 31 110.220 -17.067 10.658 1.00 0.00 C ATOM 450 OE1 GLU A 31 109.037 -17.321 10.836 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.626 -16.341 9.766 1.00 0.00 O ATOM 0 H GLU A 31 111.934 -16.421 14.198 1.00 0.00 H new ATOM 0 HA GLU A 31 109.252 -16.543 13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.375 -18.675 13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 31 109.865 -18.941 12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 31 112.027 -16.944 11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 31 111.764 -18.510 11.088 1.00 0.00 H new ATOM 458 N GLU A 32 107.991 -17.390 14.933 1.00 0.00 N ATOM 459 CA GLU A 32 107.210 -17.656 16.135 1.00 0.00 C ATOM 460 C GLU A 32 106.041 -18.588 15.835 1.00 0.00 C ATOM 461 O GLU A 32 105.541 -18.645 14.711 1.00 0.00 O ATOM 462 CB GLU A 32 106.687 -16.343 16.714 1.00 0.00 C ATOM 463 CG GLU A 32 107.875 -15.449 17.096 1.00 0.00 C ATOM 464 CD GLU A 32 108.738 -16.100 18.180 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.270 -17.013 18.844 1.00 0.00 O ATOM 466 OE2 GLU A 32 109.871 -15.671 18.328 1.00 0.00 O ATOM 0 H GLU A 32 107.436 -17.098 14.128 1.00 0.00 H new ATOM 0 HA GLU A 32 107.859 -18.144 16.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.055 -15.836 15.984 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.068 -16.539 17.590 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.484 -15.253 16.213 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.508 -14.486 17.450 1.00 0.00 H new ATOM 473 N ASP A 33 105.615 -19.318 16.859 1.00 0.00 N ATOM 474 CA ASP A 33 104.530 -20.279 16.723 1.00 0.00 C ATOM 475 C ASP A 33 103.187 -19.561 16.626 1.00 0.00 C ATOM 476 O ASP A 33 103.126 -18.333 16.548 1.00 0.00 O ATOM 477 CB ASP A 33 104.517 -21.228 17.924 1.00 0.00 C ATOM 478 CG ASP A 33 105.809 -22.041 17.976 1.00 0.00 C ATOM 479 OD1 ASP A 33 106.363 -22.318 16.923 1.00 0.00 O ATOM 480 OD2 ASP A 33 106.226 -22.379 19.071 1.00 0.00 O ATOM 0 H ASP A 33 106.008 -19.261 17.798 1.00 0.00 H new ATOM 0 HA ASP A 33 104.691 -20.852 15.810 1.00 0.00 H new ATOM 0 HB2 ASP A 33 104.402 -20.657 18.845 1.00 0.00 H new ATOM 0 HB3 ASP A 33 103.661 -21.899 17.856 1.00 0.00 H new ATOM 485 N ASN A 34 102.117 -20.338 16.527 1.00 0.00 N ATOM 486 CA ASN A 34 100.782 -19.772 16.398 1.00 0.00 C ATOM 487 C ASN A 34 100.421 -18.844 17.560 1.00 0.00 C ATOM 488 O ASN A 34 99.663 -17.893 17.370 1.00 0.00 O ATOM 489 CB ASN A 34 99.751 -20.904 16.301 1.00 0.00 C ATOM 490 CG ASN A 34 99.725 -21.718 17.590 1.00 0.00 C ATOM 491 OD1 ASN A 34 100.688 -21.708 18.356 1.00 0.00 O ATOM 492 ND2 ASN A 34 98.669 -22.430 17.879 1.00 0.00 N ATOM 0 H ASN A 34 102.147 -21.358 16.534 1.00 0.00 H new ATOM 0 HA ASN A 34 100.771 -19.170 15.490 1.00 0.00 H new ATOM 0 HB2 ASN A 34 98.763 -20.487 16.108 1.00 0.00 H new ATOM 0 HB3 ASN A 34 99.994 -21.553 15.460 1.00 0.00 H new ATOM 0 HD21 ASN A 34 98.643 -22.977 18.739 1.00 0.00 H new ATOM 0 HD22 ASN A 34 97.870 -22.439 17.244 1.00 0.00 H new ATOM 499 N SER A 35 100.954 -19.104 18.758 1.00 0.00 N ATOM 500 CA SER A 35 100.500 -18.373 19.948 1.00 0.00 C ATOM 501 C SER A 35 101.368 -17.160 20.320 1.00 0.00 C ATOM 502 O SER A 35 100.852 -16.239 20.958 1.00 0.00 O ATOM 503 CB SER A 35 100.411 -19.329 21.144 1.00 0.00 C ATOM 504 OG SER A 35 101.434 -20.313 21.056 1.00 0.00 O ATOM 0 H SER A 35 101.682 -19.797 18.930 1.00 0.00 H new ATOM 0 HA SER A 35 99.518 -17.973 19.694 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.511 -18.771 22.075 1.00 0.00 H new ATOM 0 HB3 SER A 35 99.433 -19.810 21.164 1.00 0.00 H new ATOM 0 HG SER A 35 101.372 -20.919 21.824 1.00 0.00 H new ATOM 510 N PRO A 36 102.635 -17.103 19.974 1.00 0.00 N ATOM 511 CA PRO A 36 103.410 -15.832 20.045 1.00 0.00 C ATOM 512 C PRO A 36 103.596 -15.198 18.666 1.00 0.00 C ATOM 513 O PRO A 36 103.887 -15.885 17.689 1.00 0.00 O ATOM 514 CB PRO A 36 104.755 -16.269 20.651 1.00 0.00 C ATOM 515 CG PRO A 36 104.801 -17.764 20.559 1.00 0.00 C ATOM 516 CD PRO A 36 103.575 -18.210 19.761 1.00 0.00 C ATOM 0 HA PRO A 36 102.905 -15.066 20.634 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.588 -15.822 20.108 1.00 0.00 H new ATOM 0 HB3 PRO A 36 104.837 -15.942 21.688 1.00 0.00 H new ATOM 0 HG2 PRO A 36 105.718 -18.090 20.069 1.00 0.00 H new ATOM 0 HG3 PRO A 36 104.795 -18.210 21.553 1.00 0.00 H new ATOM 0 HD2 PRO A 36 103.807 -18.348 18.705 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.176 -19.157 20.126 1.00 0.00 H new ATOM 524 N LEU A 37 103.420 -13.881 18.602 1.00 0.00 N ATOM 525 CA LEU A 37 103.524 -13.157 17.338 1.00 0.00 C ATOM 526 C LEU A 37 104.983 -12.943 16.946 1.00 0.00 C ATOM 527 O LEU A 37 105.868 -12.916 17.801 1.00 0.00 O ATOM 528 CB LEU A 37 102.824 -11.799 17.451 1.00 0.00 C ATOM 529 CG LEU A 37 101.361 -11.993 17.865 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.705 -10.625 18.062 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.611 -12.757 16.770 1.00 0.00 C ATOM 0 H LEU A 37 103.205 -13.294 19.408 1.00 0.00 H new ATOM 0 HA LEU A 37 103.040 -13.757 16.567 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.338 -11.176 18.183 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.873 -11.275 16.496 1.00 0.00 H new ATOM 0 HG LEU A 37 101.322 -12.560 18.795 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.664 -10.760 18.357 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.235 -10.076 18.841 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.748 -10.063 17.129 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.571 -12.893 17.068 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.651 -12.191 15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.076 -13.731 16.622 1.00 0.00 H new ATOM 543 N GLY A 38 105.223 -12.779 15.645 1.00 0.00 N ATOM 544 CA GLY A 38 106.579 -12.582 15.141 1.00 0.00 C ATOM 545 C GLY A 38 106.922 -11.097 15.119 1.00 0.00 C ATOM 546 O GLY A 38 106.082 -10.279 14.754 1.00 0.00 O ATOM 0 H GLY A 38 104.500 -12.779 14.926 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.290 -13.118 15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.666 -12.998 14.137 1.00 0.00 H new ATOM 550 N VAL A 39 108.155 -10.748 15.485 1.00 0.00 N ATOM 551 CA VAL A 39 108.523 -9.338 15.612 1.00 0.00 C ATOM 552 C VAL A 39 109.324 -8.896 14.392 1.00 0.00 C ATOM 553 O VAL A 39 110.337 -9.507 14.053 1.00 0.00 O ATOM 554 CB VAL A 39 109.348 -9.117 16.886 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.640 -7.625 17.062 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.567 -9.616 18.105 1.00 0.00 C ATOM 0 H VAL A 39 108.904 -11.408 15.695 1.00 0.00 H new ATOM 0 HA VAL A 39 107.612 -8.743 15.675 1.00 0.00 H new ATOM 0 HB VAL A 39 110.284 -9.668 16.798 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.226 -7.473 17.968 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.201 -7.260 16.202 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.701 -7.077 17.141 1.00 0.00 H new ATOM 0 HG21 VAL A 39 109.159 -9.456 19.006 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.628 -9.068 18.185 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.358 -10.680 17.992 1.00 0.00 H new ATOM 566 N ILE A 40 108.870 -7.827 13.742 1.00 0.00 N ATOM 567 CA ILE A 40 109.561 -7.299 12.571 1.00 0.00 C ATOM 568 C ILE A 40 110.023 -5.877 12.851 1.00 0.00 C ATOM 569 O ILE A 40 109.251 -5.064 13.355 1.00 0.00 O ATOM 570 CB ILE A 40 108.623 -7.303 11.356 1.00 0.00 C ATOM 571 CG1 ILE A 40 108.096 -8.718 11.108 1.00 0.00 C ATOM 572 CG2 ILE A 40 109.382 -6.833 10.112 1.00 0.00 C ATOM 573 CD1 ILE A 40 107.020 -8.680 10.022 1.00 0.00 C ATOM 0 H ILE A 40 108.030 -7.312 14.006 1.00 0.00 H new ATOM 0 HA ILE A 40 110.424 -7.929 12.355 1.00 0.00 H new ATOM 0 HB ILE A 40 107.789 -6.630 11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 40 108.912 -9.373 10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 40 107.684 -9.130 12.029 1.00 0.00 H new ATOM 0 HG21 ILE A 40 108.711 -6.838 9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 40 109.756 -5.822 10.274 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.220 -7.504 9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 40 106.645 -9.688 9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 40 106.200 -8.039 10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 40 107.447 -8.286 9.100 1.00 0.00 H new ATOM 585 N GLY A 41 111.285 -5.599 12.538 1.00 0.00 N ATOM 586 CA GLY A 41 111.827 -4.249 12.651 1.00 0.00 C ATOM 587 C GLY A 41 112.434 -3.839 11.315 1.00 0.00 C ATOM 588 O GLY A 41 113.178 -4.612 10.714 1.00 0.00 O ATOM 0 H GLY A 41 111.953 -6.293 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 41 111.040 -3.551 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.584 -4.213 13.434 1.00 0.00 H new ATOM 592 N SER A 42 112.111 -2.638 10.846 1.00 0.00 N ATOM 593 CA SER A 42 112.532 -2.218 9.510 1.00 0.00 C ATOM 594 C SER A 42 113.115 -0.810 9.528 1.00 0.00 C ATOM 595 O SER A 42 112.610 0.067 10.227 1.00 0.00 O ATOM 596 CB SER A 42 111.332 -2.254 8.569 1.00 0.00 C ATOM 597 OG SER A 42 111.778 -2.050 7.236 1.00 0.00 O ATOM 0 H SER A 42 111.567 -1.946 11.361 1.00 0.00 H new ATOM 0 HA SER A 42 113.306 -2.904 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.819 -3.212 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.613 -1.483 8.847 1.00 0.00 H new ATOM 0 HG SER A 42 111.683 -1.103 7.001 1.00 0.00 H new ATOM 603 N PHE A 43 114.176 -0.610 8.751 1.00 0.00 N ATOM 604 CA PHE A 43 114.783 0.711 8.609 1.00 0.00 C ATOM 605 C PHE A 43 114.758 1.124 7.143 1.00 0.00 C ATOM 606 O PHE A 43 115.111 0.328 6.271 1.00 0.00 O ATOM 607 CB PHE A 43 116.226 0.680 9.110 1.00 0.00 C ATOM 608 CG PHE A 43 116.348 0.331 10.576 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.479 -1.007 10.967 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.331 1.345 11.540 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.592 -1.330 12.324 1.00 0.00 C ATOM 612 CE2 PHE A 43 116.443 1.022 12.898 1.00 0.00 C ATOM 613 CZ PHE A 43 116.573 -0.315 13.290 1.00 0.00 C ATOM 0 H PHE A 43 114.633 -1.344 8.211 1.00 0.00 H new ATOM 0 HA PHE A 43 114.218 1.431 9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.790 -0.045 8.524 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.683 1.654 8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.493 -1.789 10.222 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.232 2.377 11.237 1.00 0.00 H new ATOM 0 HE1 PHE A 43 116.694 -2.362 12.627 1.00 0.00 H new ATOM 0 HE2 PHE A 43 116.429 1.804 13.642 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.659 -0.565 14.337 1.00 0.00 H new ATOM 623 N THR A 44 114.332 2.356 6.872 1.00 0.00 N ATOM 624 CA THR A 44 114.263 2.845 5.497 1.00 0.00 C ATOM 625 C THR A 44 114.943 4.204 5.370 1.00 0.00 C ATOM 626 O THR A 44 114.733 5.082 6.206 1.00 0.00 O ATOM 627 CB THR A 44 112.798 2.980 5.067 1.00 0.00 C ATOM 628 OG1 THR A 44 112.121 1.756 5.309 1.00 0.00 O ATOM 629 CG2 THR A 44 112.731 3.318 3.578 1.00 0.00 C ATOM 0 H THR A 44 114.032 3.028 7.578 1.00 0.00 H new ATOM 0 HA THR A 44 114.777 2.129 4.856 1.00 0.00 H new ATOM 0 HB THR A 44 112.323 3.777 5.639 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.760 1.015 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.689 3.414 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.251 4.258 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.206 2.523 3.003 1.00 0.00 H new ATOM 637 N TYR A 45 115.760 4.364 4.330 1.00 0.00 N ATOM 638 CA TYR A 45 116.365 5.663 4.030 1.00 0.00 C ATOM 639 C TYR A 45 116.088 6.038 2.579 1.00 0.00 C ATOM 640 O TYR A 45 116.194 5.195 1.690 1.00 0.00 O ATOM 641 CB TYR A 45 117.871 5.642 4.305 1.00 0.00 C ATOM 642 CG TYR A 45 118.671 4.774 3.363 1.00 0.00 C ATOM 643 CD1 TYR A 45 119.098 5.284 2.132 1.00 0.00 C ATOM 644 CD2 TYR A 45 119.004 3.466 3.735 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.857 4.483 1.268 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.762 2.666 2.871 1.00 0.00 C ATOM 647 CZ TYR A 45 120.187 3.174 1.638 1.00 0.00 C ATOM 648 OH TYR A 45 120.935 2.384 0.788 1.00 0.00 O ATOM 0 H TYR A 45 116.018 3.617 3.685 1.00 0.00 H new ATOM 0 HA TYR A 45 115.919 6.415 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 45 118.251 6.662 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.036 5.296 5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.843 6.294 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.677 3.075 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 45 120.187 4.875 0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 45 120.019 1.656 3.156 1.00 0.00 H new ATOM 0 HH TYR A 45 120.422 2.204 -0.028 1.00 0.00 H new ATOM 658 N THR A 46 115.736 7.302 2.343 1.00 0.00 N ATOM 659 CA THR A 46 115.296 7.738 1.019 1.00 0.00 C ATOM 660 C THR A 46 116.355 8.598 0.337 1.00 0.00 C ATOM 661 O THR A 46 117.152 9.266 0.995 1.00 0.00 O ATOM 662 CB THR A 46 113.996 8.540 1.136 1.00 0.00 C ATOM 663 OG1 THR A 46 114.238 9.715 1.896 1.00 0.00 O ATOM 664 CG2 THR A 46 112.923 7.694 1.825 1.00 0.00 C ATOM 0 H THR A 46 115.747 8.039 3.048 1.00 0.00 H new ATOM 0 HA THR A 46 115.130 6.846 0.414 1.00 0.00 H new ATOM 0 HB THR A 46 113.648 8.813 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.350 10.478 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 46 112.001 8.270 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 46 112.738 6.793 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.264 7.415 2.822 1.00 0.00 H new ATOM 672 N GLU A 47 116.351 8.569 -0.992 1.00 0.00 N ATOM 673 CA GLU A 47 117.307 9.335 -1.776 1.00 0.00 C ATOM 674 C GLU A 47 116.606 9.971 -2.971 1.00 0.00 C ATOM 675 O GLU A 47 115.544 9.511 -3.394 1.00 0.00 O ATOM 676 CB GLU A 47 118.433 8.423 -2.268 1.00 0.00 C ATOM 677 CG GLU A 47 119.168 7.821 -1.064 1.00 0.00 C ATOM 678 CD GLU A 47 119.824 8.906 -0.208 1.00 0.00 C ATOM 679 OE1 GLU A 47 120.000 10.017 -0.688 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.146 8.607 0.931 1.00 0.00 O ATOM 0 H GLU A 47 115.694 8.021 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 47 117.730 10.118 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.025 7.628 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 47 119.129 8.989 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.466 7.251 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.928 7.122 -1.413 1.00 0.00 H new ATOM 687 N LYS A 48 117.213 11.028 -3.509 1.00 0.00 N ATOM 688 CA LYS A 48 116.658 11.736 -4.668 1.00 0.00 C ATOM 689 C LYS A 48 117.462 11.372 -5.915 1.00 0.00 C ATOM 690 O LYS A 48 118.554 10.810 -5.821 1.00 0.00 O ATOM 691 CB LYS A 48 116.602 13.283 -4.502 1.00 0.00 C ATOM 692 CG LYS A 48 117.508 13.838 -3.385 1.00 0.00 C ATOM 693 CD LYS A 48 118.971 13.791 -3.830 1.00 0.00 C ATOM 694 CE LYS A 48 119.864 14.322 -2.707 1.00 0.00 C ATOM 695 NZ LYS A 48 121.235 13.755 -2.849 1.00 0.00 N ATOM 0 H LYS A 48 118.091 11.415 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 48 115.622 11.411 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.885 13.748 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.573 13.577 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 48 117.223 14.863 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 48 117.377 13.254 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 48 119.253 12.768 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 48 119.107 14.389 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 48 119.904 15.411 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 119.446 14.051 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 121.724 13.796 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 121.171 12.766 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 121.768 14.307 -3.551 1.00 0.00 H new ATOM 709 N SER A 49 116.909 11.694 -7.079 1.00 0.00 N ATOM 710 CA SER A 49 117.557 11.367 -8.349 1.00 0.00 C ATOM 711 C SER A 49 118.938 12.013 -8.485 1.00 0.00 C ATOM 712 O SER A 49 119.777 11.522 -9.238 1.00 0.00 O ATOM 713 CB SER A 49 116.670 11.825 -9.507 1.00 0.00 C ATOM 714 OG SER A 49 116.622 13.246 -9.525 1.00 0.00 O ATOM 0 H SER A 49 116.017 12.179 -7.172 1.00 0.00 H new ATOM 0 HA SER A 49 117.695 10.286 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 49 117.063 11.450 -10.452 1.00 0.00 H new ATOM 0 HB3 SER A 49 115.666 11.417 -9.395 1.00 0.00 H new ATOM 0 HG SER A 49 116.056 13.545 -10.267 1.00 0.00 H new ATOM 720 N ARG A 50 119.171 13.119 -7.777 1.00 0.00 N ATOM 721 CA ARG A 50 120.443 13.829 -7.873 1.00 0.00 C ATOM 722 C ARG A 50 120.718 14.259 -9.314 1.00 0.00 C ATOM 723 O ARG A 50 121.853 14.200 -9.790 1.00 0.00 O ATOM 724 CB ARG A 50 121.582 12.941 -7.361 1.00 0.00 C ATOM 725 CG ARG A 50 121.380 12.654 -5.873 1.00 0.00 C ATOM 726 CD ARG A 50 122.580 11.873 -5.331 1.00 0.00 C ATOM 727 NE ARG A 50 122.765 10.632 -6.090 1.00 0.00 N ATOM 728 CZ ARG A 50 122.120 9.489 -5.808 1.00 0.00 C ATOM 729 NH1 ARG A 50 121.265 9.394 -4.818 1.00 0.00 N ATOM 730 NH2 ARG A 50 122.352 8.436 -6.544 1.00 0.00 N ATOM 0 H ARG A 50 118.499 13.539 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 50 120.384 14.724 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 50 121.608 12.007 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 50 122.541 13.435 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 50 121.265 13.589 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 50 120.464 12.082 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 50 123.480 12.485 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 50 122.427 11.643 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 50 123.418 10.638 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 50 121.071 10.206 -4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 50 120.794 8.508 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 50 123.014 8.491 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 50 121.871 7.559 -6.345 1.00 0.00 H new ATOM 744 N THR A 51 119.669 14.701 -10.002 1.00 0.00 N ATOM 745 CA THR A 51 119.795 15.171 -11.379 1.00 0.00 C ATOM 746 C THR A 51 119.260 16.594 -11.494 1.00 0.00 C ATOM 747 O THR A 51 118.298 16.957 -10.815 1.00 0.00 O ATOM 748 CB THR A 51 119.013 14.250 -12.319 1.00 0.00 C ATOM 749 OG1 THR A 51 119.445 12.910 -12.132 1.00 0.00 O ATOM 750 CG2 THR A 51 119.258 14.669 -13.770 1.00 0.00 C ATOM 0 H THR A 51 118.721 14.744 -9.628 1.00 0.00 H new ATOM 0 HA THR A 51 120.848 15.160 -11.660 1.00 0.00 H new ATOM 0 HB THR A 51 117.948 14.324 -12.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 118.944 12.318 -12.732 1.00 0.00 H new ATOM 0 HG21 THR A 51 118.700 14.012 -14.438 1.00 0.00 H new ATOM 0 HG22 THR A 51 118.926 15.697 -13.913 1.00 0.00 H new ATOM 0 HG23 THR A 51 120.322 14.596 -13.995 1.00 0.00 H new ATOM 758 N ALA A 52 119.882 17.397 -12.350 1.00 0.00 N ATOM 759 CA ALA A 52 119.466 18.786 -12.514 1.00 0.00 C ATOM 760 C ALA A 52 118.002 18.860 -12.925 1.00 0.00 C ATOM 761 O ALA A 52 117.595 18.265 -13.922 1.00 0.00 O ATOM 762 CB ALA A 52 120.332 19.468 -13.575 1.00 0.00 C ATOM 0 H ALA A 52 120.668 17.115 -12.936 1.00 0.00 H new ATOM 0 HA ALA A 52 119.590 19.299 -11.560 1.00 0.00 H new ATOM 0 HB1 ALA A 52 120.015 20.504 -13.692 1.00 0.00 H new ATOM 0 HB2 ALA A 52 121.377 19.440 -13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 52 120.222 18.946 -14.525 1.00 0.00 H new ATOM 768 N SER A 53 117.213 19.595 -12.147 1.00 0.00 N ATOM 769 CA SER A 53 115.789 19.732 -12.429 1.00 0.00 C ATOM 770 C SER A 53 115.253 21.037 -11.852 1.00 0.00 C ATOM 771 O SER A 53 115.775 21.550 -10.861 1.00 0.00 O ATOM 772 CB SER A 53 115.021 18.555 -11.825 1.00 0.00 C ATOM 773 OG SER A 53 113.667 18.616 -12.248 1.00 0.00 O ATOM 0 H SER A 53 117.533 20.102 -11.322 1.00 0.00 H new ATOM 0 HA SER A 53 115.652 19.740 -13.510 1.00 0.00 H new ATOM 0 HB2 SER A 53 115.470 17.613 -12.138 1.00 0.00 H new ATOM 0 HB3 SER A 53 115.077 18.589 -10.737 1.00 0.00 H new ATOM 0 HG SER A 53 113.170 17.863 -11.865 1.00 0.00 H new ATOM 779 N SER A 54 114.208 21.569 -12.478 1.00 0.00 N ATOM 780 CA SER A 54 113.604 22.814 -12.012 1.00 0.00 C ATOM 781 C SER A 54 113.034 22.673 -10.599 1.00 0.00 C ATOM 782 O SER A 54 113.032 23.634 -9.831 1.00 0.00 O ATOM 783 CB SER A 54 112.489 23.236 -12.968 1.00 0.00 C ATOM 784 OG SER A 54 111.418 22.305 -12.875 1.00 0.00 O ATOM 0 H SER A 54 113.765 21.163 -13.302 1.00 0.00 H new ATOM 0 HA SER A 54 114.386 23.573 -11.988 1.00 0.00 H new ATOM 0 HB2 SER A 54 112.139 24.238 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 112.865 23.275 -13.990 1.00 0.00 H new ATOM 0 HG SER A 54 110.699 22.572 -13.485 1.00 0.00 H new ATOM 790 N GLY A 55 112.553 21.479 -10.257 1.00 0.00 N ATOM 791 CA GLY A 55 111.947 21.255 -8.948 1.00 0.00 C ATOM 792 C GLY A 55 112.854 20.425 -8.043 1.00 0.00 C ATOM 793 O GLY A 55 113.052 20.762 -6.875 1.00 0.00 O ATOM 0 H GLY A 55 112.571 20.659 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 55 111.739 22.214 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 55 110.991 20.746 -9.071 1.00 0.00 H new ATOM 797 N ASP A 56 113.405 19.344 -8.587 1.00 0.00 N ATOM 798 CA ASP A 56 114.265 18.466 -7.801 1.00 0.00 C ATOM 799 C ASP A 56 115.699 18.988 -7.780 1.00 0.00 C ATOM 800 O ASP A 56 116.381 18.997 -8.805 1.00 0.00 O ATOM 801 CB ASP A 56 114.241 17.053 -8.387 1.00 0.00 C ATOM 802 CG ASP A 56 115.060 16.107 -7.517 1.00 0.00 C ATOM 803 OD1 ASP A 56 114.502 15.567 -6.576 1.00 0.00 O ATOM 804 OD2 ASP A 56 116.234 15.936 -7.802 1.00 0.00 O ATOM 0 H ASP A 56 113.274 19.057 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 56 113.888 18.443 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 56 113.213 16.697 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 56 114.642 17.065 -9.401 1.00 0.00 H new ATOM 809 N TYR A 57 116.150 19.418 -6.608 1.00 0.00 N ATOM 810 CA TYR A 57 117.511 19.918 -6.462 1.00 0.00 C ATOM 811 C TYR A 57 117.978 19.805 -5.014 1.00 0.00 C ATOM 812 O TYR A 57 117.634 20.640 -4.177 1.00 0.00 O ATOM 813 CB TYR A 57 117.580 21.380 -6.912 1.00 0.00 C ATOM 814 CG TYR A 57 118.978 21.954 -6.887 1.00 0.00 C ATOM 815 CD1 TYR A 57 119.836 21.749 -7.973 1.00 0.00 C ATOM 816 CD2 TYR A 57 119.411 22.692 -5.780 1.00 0.00 C ATOM 817 CE1 TYR A 57 121.131 22.285 -7.952 1.00 0.00 C ATOM 818 CE2 TYR A 57 120.706 23.226 -5.759 1.00 0.00 C ATOM 819 CZ TYR A 57 121.564 23.022 -6.844 1.00 0.00 C ATOM 820 OH TYR A 57 122.840 23.549 -6.823 1.00 0.00 O ATOM 0 H TYR A 57 115.598 19.431 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 57 118.167 19.313 -7.087 1.00 0.00 H new ATOM 0 HB2 TYR A 57 117.181 21.460 -7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 57 116.938 21.981 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 57 119.501 21.178 -8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 57 118.748 22.850 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 57 121.794 22.129 -8.790 1.00 0.00 H new ATOM 0 HE2 TYR A 57 121.042 23.795 -4.905 1.00 0.00 H new ATOM 0 HH TYR A 57 122.980 24.033 -5.983 1.00 0.00 H new ATOM 830 N ASN A 58 118.761 18.771 -4.725 1.00 0.00 N ATOM 831 CA ASN A 58 119.309 18.593 -3.384 1.00 0.00 C ATOM 832 C ASN A 58 118.191 18.545 -2.341 1.00 0.00 C ATOM 833 O ASN A 58 118.247 19.219 -1.310 1.00 0.00 O ATOM 834 CB ASN A 58 120.287 19.729 -3.074 1.00 0.00 C ATOM 835 CG ASN A 58 121.391 19.771 -4.125 1.00 0.00 C ATOM 836 OD1 ASN A 58 121.982 18.663 -4.483 1.00 0.00 O flip ATOM 837 ND2 ASN A 58 121.726 20.842 -4.633 1.00 0.00 N flip ATOM 0 H ASN A 58 119.029 18.049 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 58 119.842 17.643 -3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 58 119.756 20.681 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 58 120.721 19.586 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.263 21.707 -4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.466 20.864 -5.335 1.00 0.00 H new ATOM 844 N LYS A 59 117.173 17.732 -2.609 1.00 0.00 N ATOM 845 CA LYS A 59 116.044 17.610 -1.694 1.00 0.00 C ATOM 846 C LYS A 59 116.473 16.924 -0.399 1.00 0.00 C ATOM 847 O LYS A 59 117.518 16.278 -0.343 1.00 0.00 O ATOM 848 CB LYS A 59 114.916 16.807 -2.345 1.00 0.00 C ATOM 849 CG LYS A 59 114.363 17.579 -3.543 1.00 0.00 C ATOM 850 CD LYS A 59 113.299 16.734 -4.246 1.00 0.00 C ATOM 851 CE LYS A 59 112.058 16.634 -3.356 1.00 0.00 C ATOM 852 NZ LYS A 59 110.876 16.275 -4.189 1.00 0.00 N ATOM 0 H LYS A 59 117.107 17.152 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 59 115.686 18.613 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 59 115.287 15.834 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 114.123 16.622 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.932 18.524 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 115.168 17.820 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 59 113.037 17.183 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 59 113.690 15.739 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.212 15.882 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 59 111.884 17.583 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.033 16.207 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 110.725 17.007 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.044 15.360 -4.653 1.00 0.00 H new ATOM 866 N ASN A 60 115.653 17.071 0.637 1.00 0.00 N ATOM 867 CA ASN A 60 115.961 16.489 1.938 1.00 0.00 C ATOM 868 C ASN A 60 115.917 14.964 1.879 1.00 0.00 C ATOM 869 O ASN A 60 115.543 14.383 0.859 1.00 0.00 O ATOM 870 CB ASN A 60 114.963 17.002 2.983 1.00 0.00 C ATOM 871 CG ASN A 60 113.544 16.556 2.638 1.00 0.00 C ATOM 872 OD1 ASN A 60 113.260 16.196 1.494 1.00 0.00 O ATOM 873 ND2 ASN A 60 112.628 16.557 3.568 1.00 0.00 N ATOM 0 H ASN A 60 114.773 17.586 0.601 1.00 0.00 H new ATOM 0 HA ASN A 60 116.970 16.789 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 60 115.237 16.628 3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 60 115.006 18.090 3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 60 111.677 16.260 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 60 112.863 16.855 4.515 1.00 0.00 H new ATOM 880 N GLN A 61 116.304 14.324 2.979 1.00 0.00 N ATOM 881 CA GLN A 61 116.307 12.865 3.055 1.00 0.00 C ATOM 882 C GLN A 61 115.406 12.408 4.194 1.00 0.00 C ATOM 883 O GLN A 61 115.244 13.123 5.182 1.00 0.00 O ATOM 884 CB GLN A 61 117.731 12.357 3.289 1.00 0.00 C ATOM 885 CG GLN A 61 118.609 12.721 2.089 1.00 0.00 C ATOM 886 CD GLN A 61 120.056 12.300 2.333 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.459 12.062 3.472 1.00 0.00 O ATOM 888 NE2 GLN A 61 120.870 12.192 1.318 1.00 0.00 N ATOM 0 H GLN A 61 116.619 14.791 3.829 1.00 0.00 H new ATOM 0 HA GLN A 61 115.934 12.459 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 61 118.140 12.797 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 61 117.724 11.277 3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 61 118.229 12.232 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 61 118.563 13.795 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 61 120.537 12.389 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 61 121.839 11.911 1.469 1.00 0.00 H new ATOM 897 N TYR A 62 114.826 11.218 4.055 1.00 0.00 N ATOM 898 CA TYR A 62 113.898 10.703 5.062 1.00 0.00 C ATOM 899 C TYR A 62 114.406 9.395 5.654 1.00 0.00 C ATOM 900 O TYR A 62 114.869 8.511 4.934 1.00 0.00 O ATOM 901 CB TYR A 62 112.524 10.474 4.430 1.00 0.00 C ATOM 902 CG TYR A 62 111.907 11.728 3.860 1.00 0.00 C ATOM 903 CD1 TYR A 62 111.242 12.627 4.703 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.997 11.995 2.488 1.00 0.00 C ATOM 905 CE1 TYR A 62 110.670 13.790 4.176 1.00 0.00 C ATOM 906 CE2 TYR A 62 111.426 13.158 1.961 1.00 0.00 C ATOM 907 CZ TYR A 62 110.760 14.056 2.804 1.00 0.00 C ATOM 908 OH TYR A 62 110.196 15.203 2.285 1.00 0.00 O ATOM 0 H TYR A 62 114.980 10.595 3.262 1.00 0.00 H new ATOM 0 HA TYR A 62 113.820 11.440 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 62 112.617 9.732 3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 62 111.853 10.057 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.171 12.422 5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 62 112.508 11.302 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 62 110.159 14.483 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 62 111.499 13.363 0.903 1.00 0.00 H new ATOM 0 HH TYR A 62 110.350 15.234 1.318 1.00 0.00 H new ATOM 918 N TYR A 63 114.310 9.278 6.973 1.00 0.00 N ATOM 919 CA TYR A 63 114.698 8.053 7.662 1.00 0.00 C ATOM 920 C TYR A 63 113.589 7.649 8.619 1.00 0.00 C ATOM 921 O TYR A 63 113.070 8.489 9.354 1.00 0.00 O ATOM 922 CB TYR A 63 115.998 8.277 8.438 1.00 0.00 C ATOM 923 CG TYR A 63 116.524 7.026 9.103 1.00 0.00 C ATOM 924 CD1 TYR A 63 116.128 6.706 10.406 1.00 0.00 C ATOM 925 CD2 TYR A 63 117.409 6.188 8.415 1.00 0.00 C ATOM 926 CE1 TYR A 63 116.617 5.547 11.022 1.00 0.00 C ATOM 927 CE2 TYR A 63 117.900 5.030 9.030 1.00 0.00 C ATOM 928 CZ TYR A 63 117.504 4.710 10.334 1.00 0.00 C ATOM 929 OH TYR A 63 117.986 3.569 10.942 1.00 0.00 O ATOM 0 H TYR A 63 113.967 10.017 7.587 1.00 0.00 H new ATOM 0 HA TYR A 63 114.859 7.260 6.931 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.756 8.664 7.757 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.832 9.041 9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 63 115.445 7.353 10.937 1.00 0.00 H new ATOM 0 HD2 TYR A 63 117.713 6.435 7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 63 116.310 5.299 12.027 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.584 4.384 8.499 1.00 0.00 H new ATOM 0 HH TYR A 63 117.573 2.781 10.532 1.00 0.00 H new ATOM 939 N GLY A 64 113.201 6.375 8.594 1.00 0.00 N ATOM 940 CA GLY A 64 112.100 5.914 9.436 1.00 0.00 C ATOM 941 C GLY A 64 112.403 4.565 10.069 1.00 0.00 C ATOM 942 O GLY A 64 113.116 3.742 9.491 1.00 0.00 O ATOM 0 H GLY A 64 113.625 5.654 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.908 6.648 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.191 5.840 8.839 1.00 0.00 H new ATOM 946 N ILE A 65 111.840 4.346 11.254 1.00 0.00 N ATOM 947 CA ILE A 65 111.975 3.070 11.949 1.00 0.00 C ATOM 948 C ILE A 65 110.582 2.542 12.283 1.00 0.00 C ATOM 949 O ILE A 65 109.779 3.254 12.887 1.00 0.00 O ATOM 950 CB ILE A 65 112.807 3.257 13.224 1.00 0.00 C ATOM 951 CG1 ILE A 65 112.959 1.920 13.956 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.126 4.269 14.149 1.00 0.00 C ATOM 953 CD1 ILE A 65 114.040 2.044 15.029 1.00 0.00 C ATOM 0 H ILE A 65 111.284 5.039 11.755 1.00 0.00 H new ATOM 0 HA ILE A 65 112.488 2.349 11.313 1.00 0.00 H new ATOM 0 HB ILE A 65 113.793 3.628 12.945 1.00 0.00 H new ATOM 0 HG12 ILE A 65 112.011 1.633 14.412 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.223 1.134 13.248 1.00 0.00 H new ATOM 0 HG21 ILE A 65 112.723 4.396 15.052 1.00 0.00 H new ATOM 0 HG22 ILE A 65 112.035 5.227 13.636 1.00 0.00 H new ATOM 0 HG23 ILE A 65 111.134 3.906 14.418 1.00 0.00 H new ATOM 0 HD11 ILE A 65 114.147 1.092 15.549 1.00 0.00 H new ATOM 0 HD12 ILE A 65 114.988 2.311 14.561 1.00 0.00 H new ATOM 0 HD13 ILE A 65 113.757 2.818 15.743 1.00 0.00 H new ATOM 965 N THR A 66 110.289 1.314 11.862 1.00 0.00 N ATOM 966 CA THR A 66 108.958 0.740 12.060 1.00 0.00 C ATOM 967 C THR A 66 109.051 -0.572 12.833 1.00 0.00 C ATOM 968 O THR A 66 110.076 -1.253 12.781 1.00 0.00 O ATOM 969 CB THR A 66 108.273 0.485 10.707 1.00 0.00 C ATOM 970 OG1 THR A 66 108.891 -0.626 10.074 1.00 0.00 O ATOM 971 CG2 THR A 66 108.356 1.702 9.773 1.00 0.00 C ATOM 0 H THR A 66 110.949 0.700 11.385 1.00 0.00 H new ATOM 0 HA THR A 66 108.366 1.454 12.633 1.00 0.00 H new ATOM 0 HB THR A 66 107.219 0.287 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.457 -0.794 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.858 1.472 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.867 2.555 10.243 1.00 0.00 H new ATOM 0 HG23 THR A 66 109.402 1.943 9.582 1.00 0.00 H new ATOM 979 N ALA A 67 107.970 -0.932 13.516 1.00 0.00 N ATOM 980 CA ALA A 67 107.905 -2.204 14.225 1.00 0.00 C ATOM 981 C ALA A 67 106.478 -2.738 14.163 1.00 0.00 C ATOM 982 O ALA A 67 105.534 -1.947 14.181 1.00 0.00 O ATOM 983 CB ALA A 67 108.329 -2.021 15.682 1.00 0.00 C ATOM 0 H ALA A 67 107.128 -0.362 13.594 1.00 0.00 H new ATOM 0 HA ALA A 67 108.584 -2.914 13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.276 -2.979 16.200 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.351 -1.645 15.719 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.663 -1.308 16.168 1.00 0.00 H new ATOM 989 N GLY A 68 106.319 -4.058 14.054 1.00 0.00 N ATOM 990 CA GLY A 68 104.977 -4.622 13.934 1.00 0.00 C ATOM 991 C GLY A 68 104.934 -6.122 14.228 1.00 0.00 C ATOM 992 O GLY A 68 105.964 -6.791 14.165 1.00 0.00 O ATOM 0 H GLY A 68 107.079 -4.738 14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.307 -4.103 14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.602 -4.443 12.926 1.00 0.00 H new ATOM 996 N PRO A 69 103.781 -6.662 14.562 1.00 0.00 N ATOM 997 CA PRO A 69 103.618 -8.130 14.727 1.00 0.00 C ATOM 998 C PRO A 69 103.092 -8.805 13.462 1.00 0.00 C ATOM 999 O PRO A 69 102.102 -8.366 12.869 1.00 0.00 O ATOM 1000 CB PRO A 69 102.596 -8.228 15.859 1.00 0.00 C ATOM 1001 CG PRO A 69 101.725 -7.022 15.709 1.00 0.00 C ATOM 1002 CD PRO A 69 102.512 -5.985 14.899 1.00 0.00 C ATOM 0 HA PRO A 69 104.562 -8.633 14.935 1.00 0.00 H new ATOM 0 HB2 PRO A 69 102.013 -9.146 15.784 1.00 0.00 H new ATOM 0 HB3 PRO A 69 103.087 -8.240 16.832 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.796 -7.281 15.201 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.454 -6.621 16.685 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.970 -5.689 14.001 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.688 -5.079 15.479 1.00 0.00 H new ATOM 1010 N ALA A 70 103.843 -9.792 12.986 1.00 0.00 N ATOM 1011 CA ALA A 70 103.390 -10.665 11.910 1.00 0.00 C ATOM 1012 C ALA A 70 102.467 -11.748 12.459 1.00 0.00 C ATOM 1013 O ALA A 70 102.698 -12.257 13.558 1.00 0.00 O ATOM 1014 CB ALA A 70 104.593 -11.315 11.221 1.00 0.00 C ATOM 0 H ALA A 70 104.777 -10.009 13.333 1.00 0.00 H new ATOM 0 HA ALA A 70 102.840 -10.065 11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.245 -11.965 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.237 -10.540 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.154 -11.903 11.947 1.00 0.00 H new ATOM 1020 N TYR A 71 101.458 -12.132 11.679 1.00 0.00 N ATOM 1021 CA TYR A 71 100.577 -13.232 12.053 1.00 0.00 C ATOM 1022 C TYR A 71 100.820 -14.393 11.098 1.00 0.00 C ATOM 1023 O TYR A 71 100.832 -14.199 9.880 1.00 0.00 O ATOM 1024 CB TYR A 71 99.114 -12.791 11.972 1.00 0.00 C ATOM 1025 CG TYR A 71 98.779 -11.646 12.899 1.00 0.00 C ATOM 1026 CD1 TYR A 71 98.336 -11.905 14.202 1.00 0.00 C ATOM 1027 CD2 TYR A 71 98.910 -10.325 12.454 1.00 0.00 C ATOM 1028 CE1 TYR A 71 98.027 -10.844 15.059 1.00 0.00 C ATOM 1029 CE2 TYR A 71 98.599 -9.263 13.312 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.157 -9.524 14.614 1.00 0.00 C ATOM 1031 OH TYR A 71 97.849 -8.478 15.461 1.00 0.00 O ATOM 0 H TYR A 71 101.232 -11.697 10.785 1.00 0.00 H new ATOM 0 HA TYR A 71 100.787 -13.539 13.078 1.00 0.00 H new ATOM 0 HB2 TYR A 71 98.887 -12.497 10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.473 -13.640 12.209 1.00 0.00 H new ATOM 0 HD1 TYR A 71 98.233 -12.924 14.545 1.00 0.00 H new ATOM 0 HD2 TYR A 71 99.251 -10.125 11.449 1.00 0.00 H new ATOM 0 HE1 TYR A 71 97.688 -11.044 16.065 1.00 0.00 H new ATOM 0 HE2 TYR A 71 98.700 -8.244 12.969 1.00 0.00 H new ATOM 0 HH TYR A 71 97.995 -7.627 14.997 1.00 0.00 H new ATOM 1041 N ARG A 72 100.969 -15.594 11.647 1.00 0.00 N ATOM 1042 CA ARG A 72 101.440 -16.723 10.854 1.00 0.00 C ATOM 1043 C ARG A 72 100.282 -17.562 10.326 1.00 0.00 C ATOM 1044 O ARG A 72 99.605 -18.268 11.074 1.00 0.00 O ATOM 1045 CB ARG A 72 102.359 -17.601 11.706 1.00 0.00 C ATOM 1046 CG ARG A 72 102.991 -18.688 10.834 1.00 0.00 C ATOM 1047 CD ARG A 72 103.860 -19.600 11.702 1.00 0.00 C ATOM 1048 NE ARG A 72 104.564 -20.576 10.867 1.00 0.00 N ATOM 1049 CZ ARG A 72 105.548 -20.249 10.014 1.00 0.00 C ATOM 1050 NH1 ARG A 72 105.963 -19.012 9.865 1.00 0.00 N ATOM 1051 NH2 ARG A 72 106.113 -21.192 9.311 1.00 0.00 N ATOM 0 H ARG A 72 100.773 -15.809 12.625 1.00 0.00 H new ATOM 0 HA ARG A 72 101.987 -16.326 9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.138 -16.991 12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 101.792 -18.057 12.518 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.213 -19.271 10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.595 -18.233 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.580 -19.003 12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 72 103.239 -20.117 12.433 1.00 0.00 H new ATOM 0 HE ARG A 72 104.292 -21.557 10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.535 -18.262 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.713 -18.802 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.806 -22.159 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 72 106.862 -20.962 8.658 1.00 0.00 H new ATOM 1065 N ILE A 73 100.076 -17.464 9.020 1.00 0.00 N ATOM 1066 CA ILE A 73 99.120 -18.305 8.314 1.00 0.00 C ATOM 1067 C ILE A 73 99.858 -19.493 7.703 1.00 0.00 C ATOM 1068 O ILE A 73 100.889 -19.313 7.051 1.00 0.00 O ATOM 1069 CB ILE A 73 98.403 -17.499 7.227 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.693 -16.301 7.870 1.00 0.00 C ATOM 1071 CG2 ILE A 73 97.364 -18.380 6.527 1.00 0.00 C ATOM 1072 CD1 ILE A 73 97.190 -15.335 6.793 1.00 0.00 C ATOM 0 H ILE A 73 100.566 -16.800 8.421 1.00 0.00 H new ATOM 0 HA ILE A 73 98.368 -18.669 9.014 1.00 0.00 H new ATOM 0 HB ILE A 73 99.134 -17.151 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.856 -16.649 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 73 98.377 -15.782 8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.857 -17.801 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.861 -19.236 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.633 -18.730 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.689 -14.491 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.034 -14.973 6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.489 -15.853 6.139 1.00 0.00 H new ATOM 1084 N ASN A 74 99.338 -20.699 7.910 1.00 0.00 N ATOM 1085 CA ASN A 74 100.033 -21.898 7.448 1.00 0.00 C ATOM 1086 C ASN A 74 100.192 -21.880 5.927 1.00 0.00 C ATOM 1087 O ASN A 74 101.200 -22.350 5.402 1.00 0.00 O ATOM 1088 CB ASN A 74 99.254 -23.146 7.866 1.00 0.00 C ATOM 1089 CG ASN A 74 100.119 -24.389 7.682 1.00 0.00 C ATOM 1090 OD1 ASN A 74 101.161 -24.521 8.324 1.00 0.00 O ATOM 1091 ND2 ASN A 74 99.747 -25.312 6.836 1.00 0.00 N ATOM 0 H ASN A 74 98.453 -20.872 8.386 1.00 0.00 H new ATOM 0 HA ASN A 74 101.023 -21.917 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 74 98.945 -23.059 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 74 98.346 -23.234 7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 74 100.320 -26.145 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 74 98.883 -25.199 6.306 1.00 0.00 H new ATOM 1098 N ASP A 75 99.203 -21.338 5.222 1.00 0.00 N ATOM 1099 CA ASP A 75 99.347 -21.092 3.795 1.00 0.00 C ATOM 1100 C ASP A 75 100.383 -19.992 3.574 1.00 0.00 C ATOM 1101 O ASP A 75 100.898 -19.419 4.535 1.00 0.00 O ATOM 1102 CB ASP A 75 98.007 -20.668 3.190 1.00 0.00 C ATOM 1103 CG ASP A 75 96.982 -21.793 3.321 1.00 0.00 C ATOM 1104 OD1 ASP A 75 97.380 -22.946 3.297 1.00 0.00 O ATOM 1105 OD2 ASP A 75 95.809 -21.483 3.443 1.00 0.00 O ATOM 0 H ASP A 75 98.302 -21.064 5.613 1.00 0.00 H new ATOM 0 HA ASP A 75 99.675 -22.010 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 75 97.641 -19.773 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 75 98.141 -20.410 2.139 1.00 0.00 H new ATOM 1110 N TRP A 76 100.712 -19.722 2.315 1.00 0.00 N ATOM 1111 CA TRP A 76 101.671 -18.669 1.996 1.00 0.00 C ATOM 1112 C TRP A 76 100.958 -17.322 1.884 1.00 0.00 C ATOM 1113 O TRP A 76 101.150 -16.568 0.927 1.00 0.00 O ATOM 1114 CB TRP A 76 102.387 -19.011 0.688 1.00 0.00 C ATOM 1115 CG TRP A 76 103.020 -20.367 0.697 1.00 0.00 C ATOM 1116 CD1 TRP A 76 102.664 -21.395 -0.105 1.00 0.00 C ATOM 1117 CD2 TRP A 76 104.103 -20.859 1.540 1.00 0.00 C ATOM 1118 NE1 TRP A 76 103.462 -22.487 0.185 1.00 0.00 N ATOM 1119 CE2 TRP A 76 104.365 -22.207 1.192 1.00 0.00 C ATOM 1120 CE3 TRP A 76 104.876 -20.274 2.558 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 105.361 -22.947 1.834 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 105.876 -21.014 3.205 1.00 0.00 C ATOM 1123 CH2 TRP A 76 106.118 -22.347 2.846 1.00 0.00 C ATOM 0 H TRP A 76 100.333 -20.212 1.505 1.00 0.00 H new ATOM 0 HA TRP A 76 102.409 -18.597 2.795 1.00 0.00 H new ATOM 0 HB2 TRP A 76 101.673 -18.956 -0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 76 103.154 -18.261 0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 76 101.883 -21.368 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 76 103.392 -23.389 -0.287 1.00 0.00 H new ATOM 0 HE3 TRP A 76 104.698 -19.248 2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 105.545 -23.973 1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 106.464 -20.554 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 76 106.889 -22.911 3.350 1.00 0.00 H new ATOM 1134 N ALA A 77 100.134 -17.030 2.884 1.00 0.00 N ATOM 1135 CA ALA A 77 99.280 -15.843 2.884 1.00 0.00 C ATOM 1136 C ALA A 77 99.541 -14.938 4.090 1.00 0.00 C ATOM 1137 O ALA A 77 98.668 -14.154 4.464 1.00 0.00 O ATOM 1138 CB ALA A 77 97.812 -16.268 2.881 1.00 0.00 C ATOM 0 H ALA A 77 100.038 -17.608 3.719 1.00 0.00 H new ATOM 0 HA ALA A 77 99.515 -15.273 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 77 97.177 -15.382 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 77 97.607 -16.862 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.604 -16.864 3.770 1.00 0.00 H new ATOM 1144 N SER A 78 100.721 -15.024 4.704 1.00 0.00 N ATOM 1145 CA SER A 78 100.908 -14.480 6.047 1.00 0.00 C ATOM 1146 C SER A 78 100.836 -12.961 6.018 1.00 0.00 C ATOM 1147 O SER A 78 101.247 -12.333 5.045 1.00 0.00 O ATOM 1148 CB SER A 78 102.259 -14.922 6.607 1.00 0.00 C ATOM 1149 OG SER A 78 102.392 -14.447 7.939 1.00 0.00 O ATOM 0 H SER A 78 101.550 -15.459 4.299 1.00 0.00 H new ATOM 0 HA SER A 78 100.112 -14.858 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 78 102.336 -16.009 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 78 103.067 -14.533 5.988 1.00 0.00 H new ATOM 0 HG SER A 78 101.505 -14.361 8.346 1.00 0.00 H new ATOM 1155 N ILE A 79 100.332 -12.368 7.098 1.00 0.00 N ATOM 1156 CA ILE A 79 100.004 -10.942 7.091 1.00 0.00 C ATOM 1157 C ILE A 79 100.641 -10.258 8.291 1.00 0.00 C ATOM 1158 O ILE A 79 100.547 -10.752 9.410 1.00 0.00 O ATOM 1159 CB ILE A 79 98.483 -10.742 7.139 1.00 0.00 C ATOM 1160 CG1 ILE A 79 97.821 -11.495 5.980 1.00 0.00 C ATOM 1161 CG2 ILE A 79 98.152 -9.250 7.015 1.00 0.00 C ATOM 1162 CD1 ILE A 79 96.298 -11.430 6.121 1.00 0.00 C ATOM 0 H ILE A 79 100.143 -12.845 7.980 1.00 0.00 H new ATOM 0 HA ILE A 79 100.392 -10.502 6.172 1.00 0.00 H new ATOM 0 HB ILE A 79 98.108 -11.126 8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.126 -11.058 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.151 -12.534 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 79 97.071 -9.113 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.613 -8.705 7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.536 -8.870 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 79 95.833 -11.967 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 79 96.000 -11.888 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 79 95.975 -10.389 6.105 1.00 0.00 H new ATOM 1174 N TYR A 80 101.291 -9.126 8.056 1.00 0.00 N ATOM 1175 CA TYR A 80 101.879 -8.355 9.148 1.00 0.00 C ATOM 1176 C TYR A 80 101.480 -6.889 9.045 1.00 0.00 C ATOM 1177 O TYR A 80 101.321 -6.361 7.945 1.00 0.00 O ATOM 1178 CB TYR A 80 103.405 -8.500 9.125 1.00 0.00 C ATOM 1179 CG TYR A 80 104.076 -7.828 7.949 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.191 -8.505 6.729 1.00 0.00 C ATOM 1181 CD2 TYR A 80 104.588 -6.531 8.081 1.00 0.00 C ATOM 1182 CE1 TYR A 80 104.818 -7.885 5.641 1.00 0.00 C ATOM 1183 CE2 TYR A 80 105.214 -5.912 6.992 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.329 -6.589 5.774 1.00 0.00 C ATOM 1185 OH TYR A 80 105.947 -5.978 4.701 1.00 0.00 O ATOM 0 H TYR A 80 101.425 -8.722 7.129 1.00 0.00 H new ATOM 0 HA TYR A 80 101.502 -8.743 10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.812 -8.084 10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 80 103.657 -9.560 9.115 1.00 0.00 H new ATOM 0 HD1 TYR A 80 103.796 -9.505 6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 80 104.500 -6.009 9.022 1.00 0.00 H new ATOM 0 HE1 TYR A 80 104.907 -8.407 4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 80 105.608 -4.912 7.093 1.00 0.00 H new ATOM 0 HH TYR A 80 106.243 -5.081 4.962 1.00 0.00 H new ATOM 1195 N GLY A 81 101.328 -6.245 10.200 1.00 0.00 N ATOM 1196 CA GLY A 81 101.000 -4.819 10.243 1.00 0.00 C ATOM 1197 C GLY A 81 102.061 -4.077 11.040 1.00 0.00 C ATOM 1198 O GLY A 81 102.489 -4.552 12.089 1.00 0.00 O ATOM 0 H GLY A 81 101.426 -6.684 11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 81 100.943 -4.418 9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.020 -4.674 10.699 1.00 0.00 H new ATOM 1202 N VAL A 82 102.476 -2.909 10.557 1.00 0.00 N ATOM 1203 CA VAL A 82 103.630 -2.231 11.139 1.00 0.00 C ATOM 1204 C VAL A 82 103.395 -0.720 11.220 1.00 0.00 C ATOM 1205 O VAL A 82 102.749 -0.145 10.348 1.00 0.00 O ATOM 1206 CB VAL A 82 104.862 -2.577 10.287 1.00 0.00 C ATOM 1207 CG1 VAL A 82 104.767 -1.937 8.896 1.00 0.00 C ATOM 1208 CG2 VAL A 82 106.143 -2.119 10.996 1.00 0.00 C ATOM 0 H VAL A 82 102.039 -2.419 9.777 1.00 0.00 H new ATOM 0 HA VAL A 82 103.792 -2.569 12.163 1.00 0.00 H new ATOM 0 HB VAL A 82 104.895 -3.659 10.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 105.651 -2.198 8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.876 -2.304 8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.706 -0.853 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 82 107.008 -2.370 10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 82 106.108 -1.041 11.150 1.00 0.00 H new ATOM 0 HG23 VAL A 82 106.224 -2.621 11.960 1.00 0.00 H new ATOM 1218 N VAL A 83 103.913 -0.092 12.272 1.00 0.00 N ATOM 1219 CA VAL A 83 103.816 1.355 12.423 1.00 0.00 C ATOM 1220 C VAL A 83 105.191 1.908 12.783 1.00 0.00 C ATOM 1221 O VAL A 83 105.927 1.278 13.540 1.00 0.00 O ATOM 1222 CB VAL A 83 102.785 1.703 13.507 1.00 0.00 C ATOM 1223 CG1 VAL A 83 103.211 1.105 14.850 1.00 0.00 C ATOM 1224 CG2 VAL A 83 102.666 3.222 13.641 1.00 0.00 C ATOM 0 H VAL A 83 104.404 -0.563 13.032 1.00 0.00 H new ATOM 0 HA VAL A 83 103.485 1.805 11.487 1.00 0.00 H new ATOM 0 HB VAL A 83 101.819 1.287 13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 83 102.473 1.358 15.611 1.00 0.00 H new ATOM 0 HG12 VAL A 83 103.282 0.021 14.759 1.00 0.00 H new ATOM 0 HG13 VAL A 83 104.182 1.510 15.137 1.00 0.00 H new ATOM 0 HG21 VAL A 83 101.933 3.463 14.411 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.634 3.640 13.918 1.00 0.00 H new ATOM 0 HG23 VAL A 83 102.346 3.647 12.690 1.00 0.00 H new ATOM 1234 N GLY A 84 105.543 3.063 12.225 1.00 0.00 N ATOM 1235 CA GLY A 84 106.868 3.626 12.459 1.00 0.00 C ATOM 1236 C GLY A 84 106.825 5.144 12.464 1.00 0.00 C ATOM 1237 O GLY A 84 105.798 5.749 12.163 1.00 0.00 O ATOM 0 H GLY A 84 104.941 3.619 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.256 3.267 13.412 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.555 3.281 11.686 1.00 0.00 H new ATOM 1241 N VAL A 85 107.964 5.754 12.770 1.00 0.00 N ATOM 1242 CA VAL A 85 108.072 7.208 12.753 1.00 0.00 C ATOM 1243 C VAL A 85 109.131 7.608 11.733 1.00 0.00 C ATOM 1244 O VAL A 85 110.226 7.048 11.723 1.00 0.00 O ATOM 1245 CB VAL A 85 108.441 7.718 14.153 1.00 0.00 C ATOM 1246 CG1 VAL A 85 109.788 7.134 14.593 1.00 0.00 C ATOM 1247 CG2 VAL A 85 108.527 9.246 14.142 1.00 0.00 C ATOM 0 H VAL A 85 108.822 5.268 13.032 1.00 0.00 H new ATOM 0 HA VAL A 85 107.118 7.654 12.471 1.00 0.00 H new ATOM 0 HB VAL A 85 107.670 7.401 14.855 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.038 7.504 15.587 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.723 6.046 14.616 1.00 0.00 H new ATOM 0 HG13 VAL A 85 110.563 7.436 13.889 1.00 0.00 H new ATOM 0 HG21 VAL A 85 108.789 9.603 15.138 1.00 0.00 H new ATOM 0 HG22 VAL A 85 109.290 9.562 13.431 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.563 9.663 13.849 1.00 0.00 H new ATOM 1257 N GLY A 86 108.779 8.543 10.853 1.00 0.00 N ATOM 1258 CA GLY A 86 109.720 9.016 9.841 1.00 0.00 C ATOM 1259 C GLY A 86 110.022 10.496 10.036 1.00 0.00 C ATOM 1260 O GLY A 86 109.143 11.261 10.425 1.00 0.00 O ATOM 0 H GLY A 86 107.860 8.984 10.820 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.644 8.441 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.305 8.852 8.847 1.00 0.00 H new ATOM 1264 N TYR A 87 111.263 10.893 9.771 1.00 0.00 N ATOM 1265 CA TYR A 87 111.650 12.296 9.897 1.00 0.00 C ATOM 1266 C TYR A 87 112.475 12.738 8.692 1.00 0.00 C ATOM 1267 O TYR A 87 113.206 11.939 8.105 1.00 0.00 O ATOM 1268 CB TYR A 87 112.444 12.502 11.192 1.00 0.00 C ATOM 1269 CG TYR A 87 113.806 11.843 11.197 1.00 0.00 C ATOM 1270 CD1 TYR A 87 113.932 10.505 11.590 1.00 0.00 C ATOM 1271 CD2 TYR A 87 114.937 12.571 10.813 1.00 0.00 C ATOM 1272 CE1 TYR A 87 115.192 9.895 11.596 1.00 0.00 C ATOM 1273 CE2 TYR A 87 116.197 11.961 10.820 1.00 0.00 C ATOM 1274 CZ TYR A 87 116.324 10.623 11.213 1.00 0.00 C ATOM 1275 OH TYR A 87 117.567 10.022 11.220 1.00 0.00 O ATOM 0 H TYR A 87 112.013 10.270 9.470 1.00 0.00 H new ATOM 0 HA TYR A 87 110.747 12.906 9.933 1.00 0.00 H new ATOM 0 HB2 TYR A 87 112.570 13.571 11.361 1.00 0.00 H new ATOM 0 HB3 TYR A 87 111.862 12.113 12.027 1.00 0.00 H new ATOM 0 HD1 TYR A 87 113.058 9.944 11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 87 114.838 13.603 10.511 1.00 0.00 H new ATOM 0 HE1 TYR A 87 115.290 8.862 11.896 1.00 0.00 H new ATOM 0 HE2 TYR A 87 117.071 12.522 10.522 1.00 0.00 H new ATOM 0 HH TYR A 87 118.244 10.667 10.926 1.00 0.00 H new ATOM 1285 N GLY A 88 112.348 14.010 8.331 1.00 0.00 N ATOM 1286 CA GLY A 88 113.085 14.563 7.199 1.00 0.00 C ATOM 1287 C GLY A 88 114.058 15.649 7.646 1.00 0.00 C ATOM 1288 O GLY A 88 113.730 16.480 8.491 1.00 0.00 O ATOM 0 H GLY A 88 111.741 14.679 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.633 13.766 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.384 14.976 6.473 1.00 0.00 H new ATOM 1292 N LYS A 89 115.258 15.633 7.072 1.00 0.00 N ATOM 1293 CA LYS A 89 116.273 16.628 7.408 1.00 0.00 C ATOM 1294 C LYS A 89 116.981 17.110 6.148 1.00 0.00 C ATOM 1295 O LYS A 89 117.153 16.345 5.199 1.00 0.00 O ATOM 1296 CB LYS A 89 117.297 16.030 8.375 1.00 0.00 C ATOM 1297 CG LYS A 89 116.607 15.671 9.694 1.00 0.00 C ATOM 1298 CD LYS A 89 117.585 14.934 10.614 1.00 0.00 C ATOM 1299 CE LYS A 89 118.603 15.913 11.209 1.00 0.00 C ATOM 1300 NZ LYS A 89 119.897 15.208 11.430 1.00 0.00 N ATOM 0 H LYS A 89 115.551 14.947 6.376 1.00 0.00 H new ATOM 0 HA LYS A 89 115.781 17.476 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 89 117.751 15.141 7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 89 118.102 16.743 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 89 116.246 16.576 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 89 115.736 15.045 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 89 117.037 14.439 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 89 118.104 14.156 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 89 118.747 16.758 10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 89 118.230 16.315 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 120.589 15.871 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 119.753 14.415 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 120.254 14.845 10.523 1.00 0.00 H new ATOM 1314 N PHE A 90 117.387 18.377 6.137 1.00 0.00 N ATOM 1315 CA PHE A 90 118.091 18.929 4.983 1.00 0.00 C ATOM 1316 C PHE A 90 119.597 18.933 5.225 1.00 0.00 C ATOM 1317 O PHE A 90 120.074 19.440 6.241 1.00 0.00 O ATOM 1318 CB PHE A 90 117.613 20.358 4.715 1.00 0.00 C ATOM 1319 CG PHE A 90 118.200 20.959 3.459 1.00 0.00 C ATOM 1320 CD1 PHE A 90 117.599 20.710 2.220 1.00 0.00 C ATOM 1321 CD2 PHE A 90 119.342 21.765 3.537 1.00 0.00 C ATOM 1322 CE1 PHE A 90 118.143 21.267 1.055 1.00 0.00 C ATOM 1323 CE2 PHE A 90 119.884 22.322 2.372 1.00 0.00 C ATOM 1324 CZ PHE A 90 119.286 22.074 1.132 1.00 0.00 C ATOM 0 H PHE A 90 117.243 19.034 6.904 1.00 0.00 H new ATOM 0 HA PHE A 90 117.875 18.304 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 90 116.526 20.361 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 90 117.874 20.987 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 90 116.717 20.089 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 90 119.804 21.957 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 90 117.681 21.074 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 90 120.765 22.944 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 90 119.705 22.504 0.234 1.00 0.00 H new ATOM 1334 N GLN A 91 120.343 18.360 4.282 1.00 0.00 N ATOM 1335 CA GLN A 91 121.799 18.302 4.387 1.00 0.00 C ATOM 1336 C GLN A 91 122.447 18.862 3.125 1.00 0.00 C ATOM 1337 O GLN A 91 121.898 18.741 2.029 1.00 0.00 O ATOM 1338 CB GLN A 91 122.248 16.854 4.596 1.00 0.00 C ATOM 1339 CG GLN A 91 123.758 16.818 4.855 1.00 0.00 C ATOM 1340 CD GLN A 91 124.235 15.391 5.123 1.00 0.00 C ATOM 1341 OE1 GLN A 91 123.428 14.468 5.260 1.00 0.00 O ATOM 1342 NE2 GLN A 91 125.513 15.152 5.208 1.00 0.00 N ATOM 0 H GLN A 91 119.964 17.930 3.438 1.00 0.00 H new ATOM 0 HA GLN A 91 122.110 18.905 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.714 16.415 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 91 122.005 16.256 3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 91 124.288 17.227 3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 91 123.999 17.452 5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 91 126.183 15.913 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 91 125.844 14.204 5.387 1.00 0.00 H new ATOM 1351 N THR A 92 123.618 19.471 3.284 1.00 0.00 N ATOM 1352 CA THR A 92 124.335 20.046 2.149 1.00 0.00 C ATOM 1353 C THR A 92 125.502 19.152 1.743 1.00 0.00 C ATOM 1354 O THR A 92 126.165 18.557 2.592 1.00 0.00 O ATOM 1355 CB THR A 92 124.857 21.439 2.510 1.00 0.00 C ATOM 1356 OG1 THR A 92 123.789 22.228 3.011 1.00 0.00 O ATOM 1357 CG2 THR A 92 125.442 22.102 1.263 1.00 0.00 C ATOM 0 H THR A 92 124.089 19.579 4.182 1.00 0.00 H new ATOM 0 HA THR A 92 123.644 20.125 1.310 1.00 0.00 H new ATOM 0 HB THR A 92 125.632 21.352 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 92 124.122 23.120 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 92 125.814 23.094 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 92 126.262 21.495 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 124.668 22.190 0.501 1.00 0.00 H new ATOM 1365 N THR A 93 125.746 19.063 0.440 1.00 0.00 N ATOM 1366 CA THR A 93 126.812 18.209 -0.075 1.00 0.00 C ATOM 1367 C THR A 93 128.088 19.014 -0.303 1.00 0.00 C ATOM 1368 O THR A 93 128.035 20.219 -0.543 1.00 0.00 O ATOM 1369 CB THR A 93 126.370 17.561 -1.389 1.00 0.00 C ATOM 1370 OG1 THR A 93 125.018 17.140 -1.272 1.00 0.00 O ATOM 1371 CG2 THR A 93 127.255 16.351 -1.689 1.00 0.00 C ATOM 0 H THR A 93 125.224 19.568 -0.276 1.00 0.00 H new ATOM 0 HA THR A 93 127.018 17.433 0.663 1.00 0.00 H new ATOM 0 HB THR A 93 126.461 18.284 -2.200 1.00 0.00 H new ATOM 0 HG1 THR A 93 124.730 16.726 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 93 126.938 15.892 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 93 128.293 16.672 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 93 127.166 15.626 -0.880 1.00 0.00 H new ATOM 1379 N GLU A 94 129.228 18.333 -0.215 1.00 0.00 N ATOM 1380 CA GLU A 94 130.531 18.963 -0.415 1.00 0.00 C ATOM 1381 C GLU A 94 130.804 20.019 0.659 1.00 0.00 C ATOM 1382 O GLU A 94 131.474 19.729 1.651 1.00 0.00 O ATOM 1383 CB GLU A 94 130.629 19.560 -1.826 1.00 0.00 C ATOM 1384 CG GLU A 94 130.505 18.442 -2.868 1.00 0.00 C ATOM 1385 CD GLU A 94 130.683 18.973 -4.295 1.00 0.00 C ATOM 1386 OE1 GLU A 94 130.704 20.181 -4.486 1.00 0.00 O ATOM 1387 OE2 GLU A 94 130.801 18.149 -5.189 1.00 0.00 O ATOM 0 H GLU A 94 129.275 17.336 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 94 131.300 18.196 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 94 129.841 20.298 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 94 131.580 20.079 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 94 131.254 17.675 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 94 129.529 17.966 -2.776 1.00 0.00 H new ATOM 1394 N TYR A 95 130.296 21.241 0.476 1.00 0.00 N ATOM 1395 CA TYR A 95 130.491 22.303 1.465 1.00 0.00 C ATOM 1396 C TYR A 95 129.139 22.864 1.916 1.00 0.00 C ATOM 1397 O TYR A 95 128.176 22.824 1.148 1.00 0.00 O ATOM 1398 CB TYR A 95 131.343 23.428 0.868 1.00 0.00 C ATOM 1399 CG TYR A 95 130.875 23.896 -0.491 1.00 0.00 C ATOM 1400 CD1 TYR A 95 129.943 24.934 -0.594 1.00 0.00 C ATOM 1401 CD2 TYR A 95 131.376 23.290 -1.649 1.00 0.00 C ATOM 1402 CE1 TYR A 95 129.511 25.368 -1.853 1.00 0.00 C ATOM 1403 CE2 TYR A 95 130.945 23.721 -2.910 1.00 0.00 C ATOM 1404 CZ TYR A 95 130.012 24.762 -3.011 1.00 0.00 C ATOM 1405 OH TYR A 95 129.586 25.187 -4.253 1.00 0.00 O ATOM 0 H TYR A 95 129.751 21.517 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 95 131.006 21.883 2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 95 131.341 24.275 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 95 132.375 23.086 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 95 129.556 25.401 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 95 132.096 22.489 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 95 128.792 26.170 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 95 131.331 23.252 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 95 130.033 24.662 -4.949 1.00 0.00 H new ATOM 1415 N PRO A 96 129.037 23.385 3.119 1.00 0.00 N ATOM 1416 CA PRO A 96 127.744 23.915 3.637 1.00 0.00 C ATOM 1417 C PRO A 96 127.552 25.398 3.335 1.00 0.00 C ATOM 1418 O PRO A 96 128.372 26.231 3.721 1.00 0.00 O ATOM 1419 CB PRO A 96 127.867 23.686 5.140 1.00 0.00 C ATOM 1420 CG PRO A 96 129.321 23.854 5.437 1.00 0.00 C ATOM 1421 CD PRO A 96 130.086 23.532 4.148 1.00 0.00 C ATOM 0 HA PRO A 96 126.884 23.428 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 96 127.264 24.402 5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 96 127.519 22.691 5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 96 129.532 24.872 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 96 129.629 23.188 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 96 130.784 24.329 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 96 130.670 22.618 4.252 1.00 0.00 H new ATOM 1429 N THR A 97 126.464 25.724 2.642 1.00 0.00 N ATOM 1430 CA THR A 97 126.127 27.118 2.364 1.00 0.00 C ATOM 1431 C THR A 97 124.712 27.419 2.848 1.00 0.00 C ATOM 1432 O THR A 97 123.832 26.560 2.789 1.00 0.00 O ATOM 1433 CB THR A 97 126.215 27.400 0.861 1.00 0.00 C ATOM 1434 OG1 THR A 97 125.245 26.621 0.178 1.00 0.00 O ATOM 1435 CG2 THR A 97 127.612 27.046 0.346 1.00 0.00 C ATOM 0 H THR A 97 125.803 25.045 2.264 1.00 0.00 H new ATOM 0 HA THR A 97 126.838 27.755 2.891 1.00 0.00 H new ATOM 0 HB THR A 97 126.026 28.458 0.682 1.00 0.00 H new ATOM 0 HG1 THR A 97 125.299 26.801 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 97 127.668 27.249 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 97 128.356 27.647 0.869 1.00 0.00 H new ATOM 0 HG23 THR A 97 127.809 25.989 0.525 1.00 0.00 H new ATOM 1443 N TYR A 98 124.496 28.645 3.329 1.00 0.00 N ATOM 1444 CA TYR A 98 123.180 29.069 3.817 1.00 0.00 C ATOM 1445 C TYR A 98 122.544 28.027 4.740 1.00 0.00 C ATOM 1446 O TYR A 98 121.868 27.108 4.277 1.00 0.00 O ATOM 1447 CB TYR A 98 122.250 29.332 2.632 1.00 0.00 C ATOM 1448 CG TYR A 98 122.735 30.437 1.724 1.00 0.00 C ATOM 1449 CD1 TYR A 98 122.492 31.775 2.059 1.00 0.00 C ATOM 1450 CD2 TYR A 98 123.425 30.124 0.546 1.00 0.00 C ATOM 1451 CE1 TYR A 98 122.942 32.799 1.218 1.00 0.00 C ATOM 1452 CE2 TYR A 98 123.873 31.150 -0.295 1.00 0.00 C ATOM 1453 CZ TYR A 98 123.632 32.487 0.041 1.00 0.00 C ATOM 1454 OH TYR A 98 124.075 33.497 -0.788 1.00 0.00 O ATOM 0 H TYR A 98 125.217 29.364 3.391 1.00 0.00 H new ATOM 0 HA TYR A 98 123.324 29.982 4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 98 122.144 28.415 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 98 121.259 29.588 3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 98 121.958 32.016 2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 98 123.611 29.092 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 98 122.757 33.831 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 98 124.405 30.909 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 98 124.536 33.108 -1.560 1.00 0.00 H new ATOM 1464 N LYS A 99 122.766 28.176 6.042 1.00 0.00 N ATOM 1465 CA LYS A 99 122.218 27.232 7.009 1.00 0.00 C ATOM 1466 C LYS A 99 120.725 27.471 7.204 1.00 0.00 C ATOM 1467 O LYS A 99 120.293 28.599 7.440 1.00 0.00 O ATOM 1468 CB LYS A 99 122.941 27.377 8.349 1.00 0.00 C ATOM 1469 CG LYS A 99 122.635 26.165 9.230 1.00 0.00 C ATOM 1470 CD LYS A 99 122.979 26.489 10.686 1.00 0.00 C ATOM 1471 CE LYS A 99 124.499 26.565 10.847 1.00 0.00 C ATOM 1472 NZ LYS A 99 124.863 26.289 12.265 1.00 0.00 N ATOM 0 H LYS A 99 123.316 28.933 6.449 1.00 0.00 H new ATOM 0 HA LYS A 99 122.365 26.222 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 99 124.016 27.460 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 99 122.623 28.292 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 99 121.582 25.898 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 99 123.211 25.303 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 99 122.524 27.436 10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 99 122.571 25.724 11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 99 124.982 25.842 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 99 124.858 27.552 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 125.896 26.341 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 124.414 26.995 12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 124.534 25.338 12.529 1.00 0.00 H new ATOM 1486 N HIS A 100 119.941 26.402 7.105 1.00 0.00 N ATOM 1487 CA HIS A 100 118.496 26.511 7.260 1.00 0.00 C ATOM 1488 C HIS A 100 117.851 25.125 7.267 1.00 0.00 C ATOM 1489 O HIS A 100 116.811 24.899 6.647 1.00 0.00 O ATOM 1490 CB HIS A 100 117.918 27.358 6.121 1.00 0.00 C ATOM 1491 CG HIS A 100 116.460 27.688 6.300 1.00 0.00 C ATOM 1492 ND1 HIS A 100 115.456 26.960 5.685 1.00 0.00 N ATOM 1493 CD2 HIS A 100 115.825 28.668 7.022 1.00 0.00 C ATOM 1494 CE1 HIS A 100 114.280 27.506 6.042 1.00 0.00 C ATOM 1495 NE2 HIS A 100 114.447 28.550 6.859 1.00 0.00 N ATOM 0 H HIS A 100 120.279 25.458 6.920 1.00 0.00 H new ATOM 0 HA HIS A 100 118.279 26.994 8.213 1.00 0.00 H new ATOM 0 HB2 HIS A 100 118.486 28.285 6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 100 118.049 26.825 5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 100 116.319 29.416 7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 100 113.318 27.145 5.709 1.00 0.00 H new ATOM 0 HE2 HIS A 100 113.721 29.135 7.274 1.00 0.00 H new ATOM 1503 N ASP A 101 118.475 24.196 7.986 1.00 0.00 N ATOM 1504 CA ASP A 101 117.954 22.836 8.076 1.00 0.00 C ATOM 1505 C ASP A 101 116.602 22.832 8.781 1.00 0.00 C ATOM 1506 O ASP A 101 116.381 23.591 9.725 1.00 0.00 O ATOM 1507 CB ASP A 101 118.936 21.947 8.842 1.00 0.00 C ATOM 1508 CG ASP A 101 120.261 21.840 8.090 1.00 0.00 C ATOM 1509 OD1 ASP A 101 120.242 21.905 6.871 1.00 0.00 O ATOM 1510 OD2 ASP A 101 121.278 21.693 8.747 1.00 0.00 O ATOM 0 H ASP A 101 119.335 24.358 8.510 1.00 0.00 H new ATOM 0 HA ASP A 101 117.828 22.446 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 101 119.108 22.358 9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 101 118.507 20.954 8.977 1.00 0.00 H new ATOM 1515 N THR A 102 115.696 21.971 8.320 1.00 0.00 N ATOM 1516 CA THR A 102 114.359 21.884 8.905 1.00 0.00 C ATOM 1517 C THR A 102 114.058 20.452 9.334 1.00 0.00 C ATOM 1518 O THR A 102 114.644 19.503 8.815 1.00 0.00 O ATOM 1519 CB THR A 102 113.309 22.341 7.888 1.00 0.00 C ATOM 1520 OG1 THR A 102 113.315 21.459 6.775 1.00 0.00 O ATOM 1521 CG2 THR A 102 113.621 23.764 7.419 1.00 0.00 C ATOM 0 H THR A 102 115.862 21.327 7.547 1.00 0.00 H new ATOM 0 HA THR A 102 114.324 22.533 9.780 1.00 0.00 H new ATOM 0 HB THR A 102 112.325 22.330 8.357 1.00 0.00 H new ATOM 0 HG1 THR A 102 112.642 21.749 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 102 112.870 24.082 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 102 113.610 24.440 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 102 114.606 23.786 6.952 1.00 0.00 H new ATOM 1529 N SER A 103 113.141 20.303 10.288 1.00 0.00 N ATOM 1530 CA SER A 103 112.763 18.979 10.775 1.00 0.00 C ATOM 1531 C SER A 103 111.245 18.825 10.816 1.00 0.00 C ATOM 1532 O SER A 103 110.523 19.762 11.154 1.00 0.00 O ATOM 1533 CB SER A 103 113.335 18.761 12.177 1.00 0.00 C ATOM 1534 OG SER A 103 114.750 18.882 12.129 1.00 0.00 O ATOM 0 H SER A 103 112.650 21.077 10.736 1.00 0.00 H new ATOM 0 HA SER A 103 113.169 18.234 10.090 1.00 0.00 H new ATOM 0 HB2 SER A 103 112.919 19.492 12.870 1.00 0.00 H new ATOM 0 HB3 SER A 103 113.055 17.775 12.548 1.00 0.00 H new ATOM 0 HG SER A 103 115.121 18.745 13.026 1.00 0.00 H new ATOM 1540 N ASP A 104 110.775 17.632 10.470 1.00 0.00 N ATOM 1541 CA ASP A 104 109.350 17.321 10.540 1.00 0.00 C ATOM 1542 C ASP A 104 109.163 15.818 10.711 1.00 0.00 C ATOM 1543 O ASP A 104 109.906 15.034 10.120 1.00 0.00 O ATOM 1544 CB ASP A 104 108.645 17.789 9.266 1.00 0.00 C ATOM 1545 CG ASP A 104 107.131 17.673 9.419 1.00 0.00 C ATOM 1546 OD1 ASP A 104 106.647 17.827 10.530 1.00 0.00 O ATOM 1547 OD2 ASP A 104 106.475 17.428 8.421 1.00 0.00 O ATOM 0 H ASP A 104 111.359 16.864 10.138 1.00 0.00 H new ATOM 0 HA ASP A 104 108.914 17.840 11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 104 108.917 18.823 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.978 17.190 8.418 1.00 0.00 H new ATOM 1552 N TYR A 105 108.181 15.426 11.518 1.00 0.00 N ATOM 1553 CA TYR A 105 107.930 14.010 11.795 1.00 0.00 C ATOM 1554 C TYR A 105 106.549 13.591 11.299 1.00 0.00 C ATOM 1555 O TYR A 105 105.611 14.389 11.308 1.00 0.00 O ATOM 1556 CB TYR A 105 108.024 13.757 13.300 1.00 0.00 C ATOM 1557 CG TYR A 105 109.345 14.180 13.901 1.00 0.00 C ATOM 1558 CD1 TYR A 105 110.442 13.311 13.861 1.00 0.00 C ATOM 1559 CD2 TYR A 105 109.471 15.441 14.495 1.00 0.00 C ATOM 1560 CE1 TYR A 105 111.665 13.704 14.418 1.00 0.00 C ATOM 1561 CE2 TYR A 105 110.693 15.833 15.053 1.00 0.00 C ATOM 1562 CZ TYR A 105 111.791 14.966 15.013 1.00 0.00 C ATOM 1563 OH TYR A 105 112.996 15.353 15.561 1.00 0.00 O ATOM 0 H TYR A 105 107.545 16.067 11.993 1.00 0.00 H new ATOM 0 HA TYR A 105 108.682 13.421 11.269 1.00 0.00 H new ATOM 0 HB2 TYR A 105 107.218 14.292 13.801 1.00 0.00 H new ATOM 0 HB3 TYR A 105 107.870 12.695 13.492 1.00 0.00 H new ATOM 0 HD1 TYR A 105 110.345 12.339 13.401 1.00 0.00 H new ATOM 0 HD2 TYR A 105 108.625 16.112 14.523 1.00 0.00 H new ATOM 0 HE1 TYR A 105 112.512 13.034 14.389 1.00 0.00 H new ATOM 0 HE2 TYR A 105 110.789 16.805 15.515 1.00 0.00 H new ATOM 0 HH TYR A 105 112.912 16.257 15.931 1.00 0.00 H new ATOM 1573 N GLY A 106 106.428 12.338 10.870 1.00 0.00 N ATOM 1574 CA GLY A 106 105.139 11.812 10.434 1.00 0.00 C ATOM 1575 C GLY A 106 104.987 10.363 10.875 1.00 0.00 C ATOM 1576 O GLY A 106 105.981 9.688 11.142 1.00 0.00 O ATOM 0 H GLY A 106 107.200 11.673 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.332 12.414 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.058 11.880 9.349 1.00 0.00 H new ATOM 1580 N PHE A 107 103.751 9.878 10.936 1.00 0.00 N ATOM 1581 CA PHE A 107 103.503 8.497 11.342 1.00 0.00 C ATOM 1582 C PHE A 107 103.152 7.650 10.126 1.00 0.00 C ATOM 1583 O PHE A 107 102.237 7.987 9.373 1.00 0.00 O ATOM 1584 CB PHE A 107 102.353 8.450 12.348 1.00 0.00 C ATOM 1585 CG PHE A 107 102.647 9.192 13.632 1.00 0.00 C ATOM 1586 CD1 PHE A 107 103.245 8.524 14.706 1.00 0.00 C ATOM 1587 CD2 PHE A 107 102.320 10.548 13.746 1.00 0.00 C ATOM 1588 CE1 PHE A 107 103.517 9.212 15.894 1.00 0.00 C ATOM 1589 CE2 PHE A 107 102.591 11.237 14.934 1.00 0.00 C ATOM 1590 CZ PHE A 107 103.191 10.569 16.008 1.00 0.00 C ATOM 0 H PHE A 107 102.912 10.414 10.712 1.00 0.00 H new ATOM 0 HA PHE A 107 104.405 8.099 11.806 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.460 8.874 11.888 1.00 0.00 H new ATOM 0 HB3 PHE A 107 102.127 7.410 12.582 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.497 7.477 14.618 1.00 0.00 H new ATOM 0 HD2 PHE A 107 101.858 11.063 12.917 1.00 0.00 H new ATOM 0 HE1 PHE A 107 103.978 8.696 16.723 1.00 0.00 H new ATOM 0 HE2 PHE A 107 102.337 12.283 15.022 1.00 0.00 H new ATOM 0 HZ PHE A 107 103.402 11.100 16.924 1.00 0.00 H new ATOM 1600 N SER A 108 103.878 6.550 9.933 1.00 0.00 N ATOM 1601 CA SER A 108 103.612 5.667 8.798 1.00 0.00 C ATOM 1602 C SER A 108 102.972 4.362 9.260 1.00 0.00 C ATOM 1603 O SER A 108 103.387 3.783 10.262 1.00 0.00 O ATOM 1604 CB SER A 108 104.918 5.358 8.067 1.00 0.00 C ATOM 1605 OG SER A 108 105.761 4.594 8.919 1.00 0.00 O ATOM 0 H SER A 108 104.644 6.252 10.537 1.00 0.00 H new ATOM 0 HA SER A 108 102.921 6.175 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.713 4.807 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 108 105.415 6.284 7.779 1.00 0.00 H new ATOM 0 HG SER A 108 106.599 4.392 8.454 1.00 0.00 H new ATOM 1611 N TYR A 109 101.961 3.910 8.522 1.00 0.00 N ATOM 1612 CA TYR A 109 101.317 2.628 8.806 1.00 0.00 C ATOM 1613 C TYR A 109 101.289 1.792 7.531 1.00 0.00 C ATOM 1614 O TYR A 109 101.063 2.342 6.454 1.00 0.00 O ATOM 1615 CB TYR A 109 99.882 2.855 9.288 1.00 0.00 C ATOM 1616 CG TYR A 109 99.783 3.720 10.523 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.671 5.110 10.395 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.790 3.134 11.793 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.568 5.913 11.538 1.00 0.00 C ATOM 1620 CE2 TYR A 109 99.690 3.936 12.936 1.00 0.00 C ATOM 1621 CZ TYR A 109 99.577 5.324 12.808 1.00 0.00 C ATOM 1622 OH TYR A 109 99.476 6.116 13.934 1.00 0.00 O ATOM 0 H TYR A 109 101.570 4.411 7.724 1.00 0.00 H new ATOM 0 HA TYR A 109 101.878 2.110 9.584 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.308 3.317 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.421 1.889 9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.664 5.563 9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.873 2.062 11.892 1.00 0.00 H new ATOM 0 HE1 TYR A 109 99.482 6.985 11.440 1.00 0.00 H new ATOM 0 HE2 TYR A 109 99.700 3.483 13.916 1.00 0.00 H new ATOM 0 HH TYR A 109 99.497 5.551 14.734 1.00 0.00 H new ATOM 1632 N GLY A 110 101.521 0.483 7.640 1.00 0.00 N ATOM 1633 CA GLY A 110 101.530 -0.361 6.449 1.00 0.00 C ATOM 1634 C GLY A 110 101.185 -1.812 6.761 1.00 0.00 C ATOM 1635 O GLY A 110 101.143 -2.221 7.919 1.00 0.00 O ATOM 0 H GLY A 110 101.701 -0.004 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 110 100.817 0.031 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 110 102.515 -0.317 5.983 1.00 0.00 H new ATOM 1639 N ALA A 111 100.958 -2.576 5.699 1.00 0.00 N ATOM 1640 CA ALA A 111 100.674 -4.001 5.825 1.00 0.00 C ATOM 1641 C ALA A 111 101.204 -4.743 4.603 1.00 0.00 C ATOM 1642 O ALA A 111 101.243 -4.186 3.506 1.00 0.00 O ATOM 1643 CB ALA A 111 99.166 -4.228 5.950 1.00 0.00 C ATOM 0 H ALA A 111 100.965 -2.232 4.739 1.00 0.00 H new ATOM 0 HA ALA A 111 101.166 -4.381 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 111 98.965 -5.295 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 111 98.792 -3.710 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.665 -3.841 5.063 1.00 0.00 H new ATOM 1649 N GLY A 112 101.612 -5.998 4.793 1.00 0.00 N ATOM 1650 CA GLY A 112 102.179 -6.767 3.689 1.00 0.00 C ATOM 1651 C GLY A 112 101.833 -8.251 3.769 1.00 0.00 C ATOM 1652 O GLY A 112 101.513 -8.770 4.839 1.00 0.00 O ATOM 0 H GLY A 112 101.562 -6.494 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.814 -6.363 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.263 -6.650 3.688 1.00 0.00 H new ATOM 1656 N LEU A 113 101.927 -8.917 2.616 1.00 0.00 N ATOM 1657 CA LEU A 113 101.661 -10.350 2.512 1.00 0.00 C ATOM 1658 C LEU A 113 102.979 -11.079 2.270 1.00 0.00 C ATOM 1659 O LEU A 113 103.854 -10.534 1.592 1.00 0.00 O ATOM 1660 CB LEU A 113 100.701 -10.610 1.348 1.00 0.00 C ATOM 1661 CG LEU A 113 100.228 -12.063 1.370 1.00 0.00 C ATOM 1662 CD1 LEU A 113 99.152 -12.236 2.444 1.00 0.00 C ATOM 1663 CD2 LEU A 113 99.645 -12.428 0.003 1.00 0.00 C ATOM 0 H LEU A 113 102.189 -8.479 1.733 1.00 0.00 H new ATOM 0 HA LEU A 113 101.205 -10.712 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 113 99.844 -9.940 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 113 101.198 -10.396 0.402 1.00 0.00 H new ATOM 0 HG LEU A 113 101.072 -12.716 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 113 98.816 -13.273 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 113 99.565 -11.975 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 113 98.308 -11.584 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 113 99.307 -13.464 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.802 -11.774 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 113 100.410 -12.306 -0.763 1.00 0.00 H new ATOM 1675 N GLN A 114 103.137 -12.296 2.801 1.00 0.00 N ATOM 1676 CA GLN A 114 104.414 -13.001 2.683 1.00 0.00 C ATOM 1677 C GLN A 114 104.225 -14.410 2.128 1.00 0.00 C ATOM 1678 O GLN A 114 103.317 -15.133 2.538 1.00 0.00 O ATOM 1679 CB GLN A 114 105.085 -13.080 4.056 1.00 0.00 C ATOM 1680 CG GLN A 114 106.492 -13.660 3.909 1.00 0.00 C ATOM 1681 CD GLN A 114 107.104 -13.899 5.286 1.00 0.00 C ATOM 1682 OE1 GLN A 114 106.543 -14.637 6.096 1.00 0.00 O ATOM 1683 NE2 GLN A 114 108.228 -13.315 5.600 1.00 0.00 N ATOM 0 H GLN A 114 102.411 -12.804 3.307 1.00 0.00 H new ATOM 0 HA GLN A 114 105.044 -12.444 1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 114 105.135 -12.088 4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.492 -13.703 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.452 -14.596 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 114 107.119 -12.976 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 114 108.691 -12.704 4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.644 -13.470 6.518 1.00 0.00 H new ATOM 1692 N PHE A 115 105.091 -14.789 1.192 1.00 0.00 N ATOM 1693 CA PHE A 115 105.112 -16.158 0.693 1.00 0.00 C ATOM 1694 C PHE A 115 106.564 -16.575 0.525 1.00 0.00 C ATOM 1695 O PHE A 115 107.343 -15.846 -0.086 1.00 0.00 O ATOM 1696 CB PHE A 115 104.365 -16.259 -0.638 1.00 0.00 C ATOM 1697 CG PHE A 115 104.972 -15.449 -1.757 1.00 0.00 C ATOM 1698 CD1 PHE A 115 104.661 -14.090 -1.887 1.00 0.00 C ATOM 1699 CD2 PHE A 115 105.836 -16.059 -2.675 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.213 -13.342 -2.934 1.00 0.00 C ATOM 1701 CE2 PHE A 115 106.389 -15.312 -3.721 1.00 0.00 C ATOM 1702 CZ PHE A 115 106.078 -13.954 -3.851 1.00 0.00 C ATOM 0 H PHE A 115 105.782 -14.171 0.767 1.00 0.00 H new ATOM 0 HA PHE A 115 104.611 -16.821 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 115 104.329 -17.305 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 115 103.335 -15.934 -0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 115 103.995 -13.619 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 115 106.076 -17.107 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 115 104.972 -12.294 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 115 107.056 -15.784 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 115 106.505 -13.377 -4.658 1.00 0.00 H new ATOM 1712 N ASN A 116 106.937 -17.735 1.067 1.00 0.00 N ATOM 1713 CA ASN A 116 108.355 -18.074 1.167 1.00 0.00 C ATOM 1714 C ASN A 116 108.645 -19.551 0.881 1.00 0.00 C ATOM 1715 O ASN A 116 108.071 -20.431 1.521 1.00 0.00 O ATOM 1716 CB ASN A 116 108.825 -17.768 2.592 1.00 0.00 C ATOM 1717 CG ASN A 116 108.004 -18.566 3.601 1.00 0.00 C ATOM 1718 OD1 ASN A 116 108.456 -19.603 4.087 1.00 0.00 O ATOM 1719 ND2 ASN A 116 106.819 -18.143 3.944 1.00 0.00 N ATOM 0 H ASN A 116 106.296 -18.438 1.434 1.00 0.00 H new ATOM 0 HA ASN A 116 108.881 -17.483 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 116 109.882 -18.015 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 116 108.726 -16.701 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 116 106.264 -18.672 4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 116 106.447 -17.283 3.540 1.00 0.00 H new ATOM 1726 N PRO A 117 109.517 -19.844 -0.056 1.00 0.00 N ATOM 1727 CA PRO A 117 110.244 -21.133 -0.092 1.00 0.00 C ATOM 1728 C PRO A 117 111.611 -20.957 0.566 1.00 0.00 C ATOM 1729 O PRO A 117 111.971 -19.846 0.954 1.00 0.00 O ATOM 1730 CB PRO A 117 110.373 -21.448 -1.587 1.00 0.00 C ATOM 1731 CG PRO A 117 110.074 -20.175 -2.318 1.00 0.00 C ATOM 1732 CD PRO A 117 109.841 -19.085 -1.270 1.00 0.00 C ATOM 0 HA PRO A 117 109.741 -21.938 0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.376 -21.804 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.678 -22.235 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.902 -19.906 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.194 -20.294 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.727 -18.465 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 117 109.027 -18.419 -1.557 1.00 0.00 H new ATOM 1740 N MET A 118 112.370 -22.040 0.691 1.00 0.00 N ATOM 1741 CA MET A 118 113.658 -21.975 1.374 1.00 0.00 C ATOM 1742 C MET A 118 114.617 -21.014 0.672 1.00 0.00 C ATOM 1743 O MET A 118 114.544 -20.816 -0.541 1.00 0.00 O ATOM 1744 CB MET A 118 114.286 -23.371 1.429 1.00 0.00 C ATOM 1745 CG MET A 118 113.414 -24.287 2.288 1.00 0.00 C ATOM 1746 SD MET A 118 114.212 -25.905 2.444 1.00 0.00 S ATOM 1747 CE MET A 118 112.885 -26.723 3.364 1.00 0.00 C ATOM 0 H MET A 118 112.121 -22.962 0.334 1.00 0.00 H new ATOM 0 HA MET A 118 113.483 -21.604 2.384 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.380 -23.779 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.292 -23.313 1.845 1.00 0.00 H new ATOM 0 HG2 MET A 118 113.265 -23.846 3.274 1.00 0.00 H new ATOM 0 HG3 MET A 118 112.428 -24.398 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 118 113.169 -27.754 3.573 1.00 0.00 H new ATOM 0 HE2 MET A 118 112.715 -26.196 4.303 1.00 0.00 H new ATOM 0 HE3 MET A 118 111.970 -26.711 2.771 1.00 0.00 H new ATOM 1757 N GLU A 119 115.517 -20.417 1.459 1.00 0.00 N ATOM 1758 CA GLU A 119 116.597 -19.567 0.946 1.00 0.00 C ATOM 1759 C GLU A 119 116.050 -18.210 0.460 1.00 0.00 C ATOM 1760 O GLU A 119 114.950 -17.812 0.841 1.00 0.00 O ATOM 1761 CB GLU A 119 117.366 -20.312 -0.167 1.00 0.00 C ATOM 1762 CG GLU A 119 118.880 -20.039 -0.074 1.00 0.00 C ATOM 1763 CD GLU A 119 119.646 -20.669 -1.243 1.00 0.00 C ATOM 1764 OE1 GLU A 119 119.040 -21.343 -2.063 1.00 0.00 O ATOM 1765 OE2 GLU A 119 120.846 -20.464 -1.300 1.00 0.00 O ATOM 0 H GLU A 119 115.517 -20.510 2.475 1.00 0.00 H new ATOM 0 HA GLU A 119 117.296 -19.353 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 119 117.181 -21.383 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 119 116.996 -19.997 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 119 119.055 -18.963 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 119 119.263 -20.434 0.867 1.00 0.00 H new ATOM 1772 N ASN A 120 116.817 -17.506 -0.381 1.00 0.00 N ATOM 1773 CA ASN A 120 116.510 -16.135 -0.803 1.00 0.00 C ATOM 1774 C ASN A 120 115.183 -15.997 -1.558 1.00 0.00 C ATOM 1775 O ASN A 120 114.713 -14.882 -1.780 1.00 0.00 O ATOM 1776 CB ASN A 120 117.654 -15.611 -1.679 1.00 0.00 C ATOM 1777 CG ASN A 120 117.740 -16.394 -2.988 1.00 0.00 C ATOM 1778 OD1 ASN A 120 117.203 -17.498 -3.092 1.00 0.00 O ATOM 1779 ND2 ASN A 120 118.389 -15.886 -3.999 1.00 0.00 N ATOM 0 H ASN A 120 117.675 -17.875 -0.791 1.00 0.00 H new ATOM 0 HA ASN A 120 116.405 -15.545 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.499 -14.553 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 120 118.597 -15.692 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 120 118.452 -16.403 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 120 118.833 -14.972 -3.912 1.00 0.00 H new ATOM 1786 N VAL A 121 114.581 -17.114 -1.951 1.00 0.00 N ATOM 1787 CA VAL A 121 113.457 -17.098 -2.891 1.00 0.00 C ATOM 1788 C VAL A 121 112.132 -16.703 -2.211 1.00 0.00 C ATOM 1789 O VAL A 121 111.058 -16.925 -2.777 1.00 0.00 O ATOM 1790 CB VAL A 121 113.307 -18.469 -3.595 1.00 0.00 C ATOM 1791 CG1 VAL A 121 112.384 -18.336 -4.816 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.667 -19.002 -4.081 1.00 0.00 C ATOM 0 H VAL A 121 114.850 -18.046 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 121 113.683 -16.337 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 121 112.886 -19.163 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 121 112.285 -19.305 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 121 111.402 -17.990 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 121 112.810 -17.618 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.526 -19.966 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.103 -18.296 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.336 -19.122 -3.229 1.00 0.00 H new ATOM 1802 N ALA A 122 112.177 -16.095 -1.017 1.00 0.00 N ATOM 1803 CA ALA A 122 110.950 -15.699 -0.326 1.00 0.00 C ATOM 1804 C ALA A 122 110.756 -14.193 -0.445 1.00 0.00 C ATOM 1805 O ALA A 122 111.717 -13.436 -0.337 1.00 0.00 O ATOM 1806 CB ALA A 122 111.049 -16.080 1.152 1.00 0.00 C ATOM 0 H ALA A 122 113.038 -15.871 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 122 110.102 -16.211 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 122 110.134 -15.785 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 122 111.184 -17.158 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.900 -15.569 1.603 1.00 0.00 H new ATOM 1812 N LEU A 123 109.515 -13.753 -0.665 1.00 0.00 N ATOM 1813 CA LEU A 123 109.266 -12.348 -0.984 1.00 0.00 C ATOM 1814 C LEU A 123 108.073 -11.812 -0.203 1.00 0.00 C ATOM 1815 O LEU A 123 107.179 -12.566 0.184 1.00 0.00 O ATOM 1816 CB LEU A 123 108.996 -12.177 -2.483 1.00 0.00 C ATOM 1817 CG LEU A 123 110.147 -12.775 -3.310 1.00 0.00 C ATOM 1818 CD1 LEU A 123 109.850 -14.240 -3.642 1.00 0.00 C ATOM 1819 CD2 LEU A 123 110.309 -11.999 -4.621 1.00 0.00 C ATOM 0 H LEU A 123 108.681 -14.339 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 123 110.157 -11.786 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 123 108.058 -12.666 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.882 -11.119 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 123 111.064 -12.708 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.671 -14.654 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.741 -14.808 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 123 108.926 -14.303 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 123 111.126 -12.429 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 123 109.385 -12.060 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.531 -10.955 -4.401 1.00 0.00 H new ATOM 1831 N ASP A 124 108.073 -10.502 0.025 1.00 0.00 N ATOM 1832 CA ASP A 124 106.957 -9.846 0.694 1.00 0.00 C ATOM 1833 C ASP A 124 106.619 -8.537 -0.014 1.00 0.00 C ATOM 1834 O ASP A 124 107.513 -7.845 -0.505 1.00 0.00 O ATOM 1835 CB ASP A 124 107.307 -9.576 2.162 1.00 0.00 C ATOM 1836 CG ASP A 124 108.489 -8.615 2.278 1.00 0.00 C ATOM 1837 OD1 ASP A 124 109.311 -8.594 1.376 1.00 0.00 O ATOM 1838 OD2 ASP A 124 108.554 -7.911 3.272 1.00 0.00 O ATOM 0 H ASP A 124 108.832 -9.876 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 124 106.088 -10.503 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 124 106.441 -9.156 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 124 107.548 -10.515 2.660 1.00 0.00 H new ATOM 1843 N PHE A 125 105.330 -8.214 -0.071 1.00 0.00 N ATOM 1844 CA PHE A 125 104.878 -6.972 -0.694 1.00 0.00 C ATOM 1845 C PHE A 125 104.034 -6.185 0.299 1.00 0.00 C ATOM 1846 O PHE A 125 103.142 -6.749 0.928 1.00 0.00 O ATOM 1847 CB PHE A 125 104.051 -7.279 -1.944 1.00 0.00 C ATOM 1848 CG PHE A 125 104.840 -7.962 -3.036 1.00 0.00 C ATOM 1849 CD1 PHE A 125 104.910 -9.360 -3.081 1.00 0.00 C ATOM 1850 CD2 PHE A 125 105.503 -7.197 -4.003 1.00 0.00 C ATOM 1851 CE1 PHE A 125 105.642 -9.991 -4.094 1.00 0.00 C ATOM 1852 CE2 PHE A 125 106.233 -7.829 -5.016 1.00 0.00 C ATOM 1853 CZ PHE A 125 106.304 -9.226 -5.060 1.00 0.00 C ATOM 0 H PHE A 125 104.580 -8.794 0.306 1.00 0.00 H new ATOM 0 HA PHE A 125 105.747 -6.381 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 125 103.208 -7.912 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.637 -6.349 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 125 104.400 -9.951 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 125 105.451 -6.119 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 125 105.696 -11.069 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 125 106.742 -7.239 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 125 106.870 -9.714 -5.840 1.00 0.00 H new ATOM 1863 N SER A 126 104.308 -4.890 0.435 1.00 0.00 N ATOM 1864 CA SER A 126 103.614 -4.083 1.434 1.00 0.00 C ATOM 1865 C SER A 126 103.269 -2.700 0.896 1.00 0.00 C ATOM 1866 O SER A 126 103.933 -2.192 -0.002 1.00 0.00 O ATOM 1867 CB SER A 126 104.490 -3.938 2.679 1.00 0.00 C ATOM 1868 OG SER A 126 103.756 -3.261 3.691 1.00 0.00 O ATOM 0 H SER A 126 104.994 -4.384 -0.124 1.00 0.00 H new ATOM 0 HA SER A 126 102.684 -4.592 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 126 104.802 -4.920 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 126 105.397 -3.383 2.438 1.00 0.00 H new ATOM 0 HG SER A 126 102.798 -3.314 3.491 1.00 0.00 H new ATOM 1874 N TYR A 127 102.223 -2.102 1.458 1.00 0.00 N ATOM 1875 CA TYR A 127 101.844 -0.734 1.119 1.00 0.00 C ATOM 1876 C TYR A 127 101.843 0.116 2.385 1.00 0.00 C ATOM 1877 O TYR A 127 101.425 -0.359 3.443 1.00 0.00 O ATOM 1878 CB TYR A 127 100.455 -0.716 0.480 1.00 0.00 C ATOM 1879 CG TYR A 127 100.028 0.654 0.008 1.00 0.00 C ATOM 1880 CD1 TYR A 127 99.337 1.510 0.872 1.00 0.00 C ATOM 1881 CD2 TYR A 127 100.324 1.067 -1.297 1.00 0.00 C ATOM 1882 CE1 TYR A 127 98.942 2.779 0.433 1.00 0.00 C ATOM 1883 CE2 TYR A 127 99.931 2.335 -1.737 1.00 0.00 C ATOM 1884 CZ TYR A 127 99.240 3.192 -0.872 1.00 0.00 C ATOM 1885 OH TYR A 127 98.850 4.443 -1.304 1.00 0.00 O ATOM 0 H TYR A 127 101.621 -2.545 2.152 1.00 0.00 H new ATOM 0 HA TYR A 127 102.562 -0.327 0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.444 -1.403 -0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 127 99.727 -1.087 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.108 1.192 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 127 100.856 0.406 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 127 98.408 3.439 1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 127 100.160 2.653 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 127 99.136 4.572 -2.233 1.00 0.00 H new ATOM 1895 N GLU A 128 102.325 1.354 2.279 1.00 0.00 N ATOM 1896 CA GLU A 128 102.420 2.232 3.441 1.00 0.00 C ATOM 1897 C GLU A 128 101.750 3.566 3.143 1.00 0.00 C ATOM 1898 O GLU A 128 101.771 4.041 2.007 1.00 0.00 O ATOM 1899 CB GLU A 128 103.890 2.473 3.795 1.00 0.00 C ATOM 1900 CG GLU A 128 104.565 1.140 4.136 1.00 0.00 C ATOM 1901 CD GLU A 128 106.019 1.338 4.583 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.544 2.434 4.443 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.593 0.375 5.066 1.00 0.00 O ATOM 0 H GLU A 128 102.653 1.768 1.406 1.00 0.00 H new ATOM 0 HA GLU A 128 101.917 1.754 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.402 2.947 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 128 103.963 3.156 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.006 0.641 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.538 0.485 3.265 1.00 0.00 H new ATOM 1910 N GLN A 129 101.157 4.169 4.168 1.00 0.00 N ATOM 1911 CA GLN A 129 100.489 5.455 4.008 1.00 0.00 C ATOM 1912 C GLN A 129 100.966 6.443 5.065 1.00 0.00 C ATOM 1913 O GLN A 129 101.120 6.092 6.236 1.00 0.00 O ATOM 1914 CB GLN A 129 98.974 5.281 4.121 1.00 0.00 C ATOM 1915 CG GLN A 129 98.286 6.604 3.772 1.00 0.00 C ATOM 1916 CD GLN A 129 96.765 6.464 3.822 1.00 0.00 C ATOM 1917 OE1 GLN A 129 96.233 5.363 3.975 1.00 0.00 O ATOM 1918 NE2 GLN A 129 96.026 7.531 3.697 1.00 0.00 N ATOM 0 H GLN A 129 101.125 3.790 5.114 1.00 0.00 H new ATOM 0 HA GLN A 129 100.736 5.846 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 129 98.636 4.493 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 129 98.706 4.974 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 129 98.606 7.379 4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 129 98.592 6.925 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 129 96.465 8.443 3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 129 95.009 7.454 3.726 1.00 0.00 H new ATOM 1927 N SER A 130 101.228 7.663 4.618 1.00 0.00 N ATOM 1928 CA SER A 130 101.530 8.774 5.510 1.00 0.00 C ATOM 1929 C SER A 130 100.328 9.707 5.522 1.00 0.00 C ATOM 1930 O SER A 130 99.767 9.990 4.459 1.00 0.00 O ATOM 1931 CB SER A 130 102.773 9.535 5.054 1.00 0.00 C ATOM 1932 OG SER A 130 103.244 10.342 6.125 1.00 0.00 O ATOM 0 H SER A 130 101.237 7.911 3.629 1.00 0.00 H new ATOM 0 HA SER A 130 101.733 8.388 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 130 103.548 8.836 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 130 102.537 10.157 4.190 1.00 0.00 H new ATOM 0 HG SER A 130 104.043 10.832 5.839 1.00 0.00 H new ATOM 1938 N ARG A 131 100.055 10.304 6.679 1.00 0.00 N ATOM 1939 CA ARG A 131 98.740 10.859 6.980 1.00 0.00 C ATOM 1940 C ARG A 131 98.687 12.302 6.511 1.00 0.00 C ATOM 1941 O ARG A 131 99.684 13.022 6.560 1.00 0.00 O ATOM 1942 CB ARG A 131 98.474 10.786 8.486 1.00 0.00 C ATOM 1943 CG ARG A 131 97.050 11.255 8.783 1.00 0.00 C ATOM 1944 CD ARG A 131 96.823 11.272 10.297 1.00 0.00 C ATOM 1945 NE ARG A 131 96.990 9.926 10.850 1.00 0.00 N ATOM 1946 CZ ARG A 131 96.070 8.957 10.732 1.00 0.00 C ATOM 1947 NH1 ARG A 131 94.935 9.143 10.104 1.00 0.00 N ATOM 1948 NH2 ARG A 131 96.313 7.787 11.259 1.00 0.00 N ATOM 0 H ARG A 131 100.736 10.416 7.430 1.00 0.00 H new ATOM 0 HA ARG A 131 97.974 10.282 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.611 9.764 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.191 11.408 9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 131 96.890 12.251 8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 131 96.330 10.592 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.527 11.957 10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 131 95.822 11.642 10.518 1.00 0.00 H new ATOM 0 HE ARG A 131 97.852 9.714 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 131 94.727 10.049 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 131 94.260 8.382 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 131 97.191 7.622 11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 131 95.625 7.039 11.179 1.00 0.00 H new ATOM 1962 N ILE A 132 97.509 12.720 6.058 1.00 0.00 N ATOM 1963 CA ILE A 132 97.435 13.667 4.957 1.00 0.00 C ATOM 1964 C ILE A 132 97.481 15.123 5.424 1.00 0.00 C ATOM 1965 O ILE A 132 96.503 15.699 5.900 1.00 0.00 O ATOM 1966 CB ILE A 132 96.141 13.420 4.156 1.00 0.00 C ATOM 1967 CG1 ILE A 132 96.100 11.970 3.656 1.00 0.00 C ATOM 1968 CG2 ILE A 132 96.075 14.356 2.939 1.00 0.00 C ATOM 1969 CD1 ILE A 132 94.697 11.635 3.144 1.00 0.00 C ATOM 0 H ILE A 132 96.607 12.422 6.431 1.00 0.00 H new ATOM 0 HA ILE A 132 98.311 13.505 4.330 1.00 0.00 H new ATOM 0 HB ILE A 132 95.294 13.613 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 132 96.830 11.830 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 132 96.374 11.290 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.155 14.168 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 132 96.090 15.393 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.932 14.172 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 132 94.675 10.604 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 132 93.976 11.757 3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 132 94.439 12.305 2.324 1.00 0.00 H new ATOM 1981 N ARG A 133 98.678 15.670 5.257 1.00 0.00 N ATOM 1982 CA ARG A 133 98.908 17.099 5.135 1.00 0.00 C ATOM 1983 C ARG A 133 98.820 17.452 3.648 1.00 0.00 C ATOM 1984 O ARG A 133 98.504 16.588 2.818 1.00 0.00 O ATOM 1985 CB ARG A 133 100.291 17.467 5.679 1.00 0.00 C ATOM 1986 CG ARG A 133 100.363 17.123 7.169 1.00 0.00 C ATOM 1987 CD ARG A 133 101.709 17.577 7.735 1.00 0.00 C ATOM 1988 NE ARG A 133 101.880 17.074 9.101 1.00 0.00 N ATOM 1989 CZ ARG A 133 102.097 15.783 9.394 1.00 0.00 C ATOM 1990 NH1 ARG A 133 102.175 14.859 8.467 1.00 0.00 N ATOM 1991 NH2 ARG A 133 102.237 15.435 10.645 1.00 0.00 N ATOM 0 H ARG A 133 99.534 15.118 5.202 1.00 0.00 H new ATOM 0 HA ARG A 133 98.166 17.653 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.064 16.926 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 133 100.480 18.530 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 133 99.549 17.610 7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.241 16.049 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 133 102.519 17.214 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 133 101.765 18.666 7.731 1.00 0.00 H new ATOM 0 HE ARG A 133 101.831 17.742 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 133 102.070 15.112 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 133 102.341 13.887 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 133 102.181 16.140 11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 133 102.403 14.458 10.887 1.00 0.00 H new ATOM 2005 N SER A 134 99.063 18.712 3.291 1.00 0.00 N ATOM 2006 CA SER A 134 98.887 19.135 1.897 1.00 0.00 C ATOM 2007 C SER A 134 99.639 18.224 0.909 1.00 0.00 C ATOM 2008 O SER A 134 99.370 18.267 -0.291 1.00 0.00 O ATOM 2009 CB SER A 134 99.379 20.574 1.731 1.00 0.00 C ATOM 2010 OG SER A 134 100.791 20.605 1.900 1.00 0.00 O ATOM 0 H SER A 134 99.375 19.445 3.928 1.00 0.00 H new ATOM 0 HA SER A 134 97.824 19.065 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 134 99.110 20.952 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 134 98.898 21.223 2.463 1.00 0.00 H new ATOM 0 HG SER A 134 101.113 21.524 1.793 1.00 0.00 H new ATOM 2016 N VAL A 135 100.577 17.403 1.394 1.00 0.00 N ATOM 2017 CA VAL A 135 101.157 16.332 0.583 1.00 0.00 C ATOM 2018 C VAL A 135 100.844 14.973 1.220 1.00 0.00 C ATOM 2019 O VAL A 135 101.081 14.770 2.410 1.00 0.00 O ATOM 2020 CB VAL A 135 102.675 16.514 0.469 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.259 15.444 -0.457 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.989 17.898 -0.108 1.00 0.00 C ATOM 0 H VAL A 135 100.949 17.461 2.342 1.00 0.00 H new ATOM 0 HA VAL A 135 100.722 16.372 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 135 103.117 16.420 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.338 15.579 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 135 103.045 14.455 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 135 102.811 15.535 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 135 104.069 18.023 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.540 17.990 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.582 18.667 0.549 1.00 0.00 H new ATOM 2032 N ASP A 136 100.314 14.045 0.422 1.00 0.00 N ATOM 2033 CA ASP A 136 99.968 12.708 0.913 1.00 0.00 C ATOM 2034 C ASP A 136 100.901 11.663 0.306 1.00 0.00 C ATOM 2035 O ASP A 136 101.222 11.739 -0.882 1.00 0.00 O ATOM 2036 CB ASP A 136 98.520 12.376 0.543 1.00 0.00 C ATOM 2037 CG ASP A 136 98.341 12.431 -0.970 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.833 11.535 -1.638 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.713 13.365 -1.439 1.00 0.00 O ATOM 0 H ASP A 136 100.115 14.193 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 136 100.078 12.696 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 136 98.260 11.384 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 136 97.843 13.082 1.023 1.00 0.00 H new ATOM 2044 N VAL A 137 101.341 10.685 1.106 1.00 0.00 N ATOM 2045 CA VAL A 137 102.356 9.734 0.626 1.00 0.00 C ATOM 2046 C VAL A 137 101.764 8.347 0.376 1.00 0.00 C ATOM 2047 O VAL A 137 101.015 7.822 1.200 1.00 0.00 O ATOM 2048 CB VAL A 137 103.509 9.600 1.630 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.640 8.781 1.005 1.00 0.00 C ATOM 2050 CG2 VAL A 137 104.052 10.981 2.014 1.00 0.00 C ATOM 0 H VAL A 137 101.023 10.531 2.063 1.00 0.00 H new ATOM 0 HA VAL A 137 102.731 10.135 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 137 103.133 9.102 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.458 8.687 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.270 7.790 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 137 104.999 9.283 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.869 10.866 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.418 11.489 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.256 11.572 2.467 1.00 0.00 H new ATOM 2060 N GLY A 138 102.108 7.764 -0.770 1.00 0.00 N ATOM 2061 CA GLY A 138 101.783 6.367 -1.051 1.00 0.00 C ATOM 2062 C GLY A 138 103.062 5.618 -1.414 1.00 0.00 C ATOM 2063 O GLY A 138 103.745 6.006 -2.361 1.00 0.00 O ATOM 0 H GLY A 138 102.612 8.237 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.313 5.908 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 138 101.066 6.305 -1.870 1.00 0.00 H new ATOM 2067 N THR A 139 103.414 4.582 -0.651 1.00 0.00 N ATOM 2068 CA THR A 139 104.665 3.863 -0.889 1.00 0.00 C ATOM 2069 C THR A 139 104.411 2.368 -1.047 1.00 0.00 C ATOM 2070 O THR A 139 103.664 1.784 -0.268 1.00 0.00 O ATOM 2071 CB THR A 139 105.628 4.097 0.277 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.777 5.495 0.490 1.00 0.00 O ATOM 2073 CG2 THR A 139 106.989 3.481 -0.046 1.00 0.00 C ATOM 0 H THR A 139 102.858 4.226 0.127 1.00 0.00 H new ATOM 0 HA THR A 139 105.106 4.240 -1.811 1.00 0.00 H new ATOM 0 HB THR A 139 105.228 3.630 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.392 5.648 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.672 3.650 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.874 2.409 -0.209 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.393 3.944 -0.946 1.00 0.00 H new ATOM 2081 N TRP A 140 105.020 1.749 -2.058 1.00 0.00 N ATOM 2082 CA TRP A 140 104.933 0.295 -2.210 1.00 0.00 C ATOM 2083 C TRP A 140 106.325 -0.316 -2.133 1.00 0.00 C ATOM 2084 O TRP A 140 107.271 0.208 -2.721 1.00 0.00 O ATOM 2085 CB TRP A 140 104.254 -0.085 -3.531 1.00 0.00 C ATOM 2086 CG TRP A 140 104.876 0.519 -4.748 1.00 0.00 C ATOM 2087 CD1 TRP A 140 106.066 0.153 -5.280 1.00 0.00 C ATOM 2088 CD2 TRP A 140 104.346 1.567 -5.611 1.00 0.00 C ATOM 2089 NE1 TRP A 140 106.303 0.915 -6.409 1.00 0.00 N ATOM 2090 CE2 TRP A 140 105.273 1.802 -6.656 1.00 0.00 C ATOM 2091 CE3 TRP A 140 103.168 2.332 -5.589 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 105.037 2.762 -7.644 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 102.926 3.298 -6.578 1.00 0.00 C ATOM 2094 CH2 TRP A 140 103.857 3.514 -7.602 1.00 0.00 C ATOM 0 H TRP A 140 105.571 2.222 -2.774 1.00 0.00 H new ATOM 0 HA TRP A 140 104.323 -0.100 -1.397 1.00 0.00 H new ATOM 0 HB2 TRP A 140 104.269 -1.170 -3.632 1.00 0.00 H new ATOM 0 HB3 TRP A 140 103.208 0.217 -3.486 1.00 0.00 H new ATOM 0 HD1 TRP A 140 106.722 -0.609 -4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 140 107.138 0.832 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 140 102.442 2.175 -4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 105.758 2.922 -8.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 102.016 3.879 -6.549 1.00 0.00 H new ATOM 0 HH2 TRP A 140 103.665 4.260 -8.359 1.00 0.00 H new ATOM 2105 N ILE A 141 106.438 -1.418 -1.391 1.00 0.00 N ATOM 2106 CA ILE A 141 107.735 -2.025 -1.099 1.00 0.00 C ATOM 2107 C ILE A 141 107.777 -3.461 -1.610 1.00 0.00 C ATOM 2108 O ILE A 141 106.800 -4.198 -1.470 1.00 0.00 O ATOM 2109 CB ILE A 141 107.983 -2.037 0.418 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.838 -0.630 0.998 1.00 0.00 C ATOM 2111 CG2 ILE A 141 109.398 -2.544 0.707 1.00 0.00 C ATOM 2112 CD1 ILE A 141 107.869 -0.699 2.526 1.00 0.00 C ATOM 0 H ILE A 141 105.644 -1.909 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 141 108.505 -1.436 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 141 107.247 -2.695 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 141 108.644 0.008 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 141 106.902 -0.182 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 141 109.569 -2.551 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.509 -3.555 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 141 110.125 -1.888 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 141 107.766 0.305 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 141 107.047 -1.322 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 141 108.816 -1.129 2.852 1.00 0.00 H new ATOM 2124 N ALA A 142 108.917 -3.856 -2.172 1.00 0.00 N ATOM 2125 CA ALA A 142 109.123 -5.239 -2.588 1.00 0.00 C ATOM 2126 C ALA A 142 110.486 -5.708 -2.095 1.00 0.00 C ATOM 2127 O ALA A 142 111.499 -5.075 -2.392 1.00 0.00 O ATOM 2128 CB ALA A 142 109.058 -5.348 -4.113 1.00 0.00 C ATOM 0 H ALA A 142 109.710 -3.239 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 142 108.340 -5.866 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.213 -6.385 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 142 108.081 -5.013 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.834 -4.723 -4.556 1.00 0.00 H new ATOM 2134 N GLY A 143 110.508 -6.793 -1.326 1.00 0.00 N ATOM 2135 CA GLY A 143 111.759 -7.262 -0.732 1.00 0.00 C ATOM 2136 C GLY A 143 111.881 -8.780 -0.795 1.00 0.00 C ATOM 2137 O GLY A 143 110.879 -9.491 -0.809 1.00 0.00 O ATOM 0 H GLY A 143 109.689 -7.357 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.602 -6.808 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.813 -6.936 0.307 1.00 0.00 H new ATOM 2141 N VAL A 144 113.124 -9.262 -0.812 1.00 0.00 N ATOM 2142 CA VAL A 144 113.393 -10.694 -0.856 1.00 0.00 C ATOM 2143 C VAL A 144 114.302 -11.076 0.307 1.00 0.00 C ATOM 2144 O VAL A 144 115.136 -10.278 0.729 1.00 0.00 O ATOM 2145 CB VAL A 144 114.058 -11.059 -2.188 1.00 0.00 C ATOM 2146 CG1 VAL A 144 113.110 -10.716 -3.341 1.00 0.00 C ATOM 2147 CG2 VAL A 144 115.358 -10.265 -2.354 1.00 0.00 C ATOM 0 H VAL A 144 113.960 -8.678 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 144 112.455 -11.242 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 144 114.281 -12.126 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 144 113.581 -10.975 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 144 112.184 -11.280 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 144 112.889 -9.649 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 144 115.827 -10.528 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.137 -9.198 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.037 -10.503 -1.535 1.00 0.00 H new ATOM 2157 N GLY A 145 114.126 -12.284 0.831 1.00 0.00 N ATOM 2158 CA GLY A 145 114.890 -12.709 1.997 1.00 0.00 C ATOM 2159 C GLY A 145 115.016 -14.226 2.082 1.00 0.00 C ATOM 2160 O GLY A 145 114.480 -14.962 1.246 1.00 0.00 O ATOM 0 H GLY A 145 113.470 -12.978 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.885 -12.265 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.409 -12.335 2.901 1.00 0.00 H new ATOM 2164 N TYR A 146 115.738 -14.670 3.109 1.00 0.00 N ATOM 2165 CA TYR A 146 115.922 -16.090 3.374 1.00 0.00 C ATOM 2166 C TYR A 146 115.822 -16.351 4.875 1.00 0.00 C ATOM 2167 O TYR A 146 115.868 -15.414 5.673 1.00 0.00 O ATOM 2168 CB TYR A 146 117.286 -16.554 2.845 1.00 0.00 C ATOM 2169 CG TYR A 146 118.469 -15.963 3.581 1.00 0.00 C ATOM 2170 CD1 TYR A 146 118.969 -14.709 3.211 1.00 0.00 C ATOM 2171 CD2 TYR A 146 119.063 -16.673 4.631 1.00 0.00 C ATOM 2172 CE1 TYR A 146 120.064 -14.164 3.891 1.00 0.00 C ATOM 2173 CE2 TYR A 146 120.160 -16.128 5.311 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.660 -14.873 4.941 1.00 0.00 C ATOM 2175 OH TYR A 146 121.740 -14.336 5.610 1.00 0.00 O ATOM 0 H TYR A 146 116.208 -14.058 3.775 1.00 0.00 H new ATOM 0 HA TYR A 146 115.141 -16.652 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.338 -17.641 2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.362 -16.293 1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.510 -14.162 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.676 -17.640 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.449 -13.196 3.606 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.620 -16.675 6.120 1.00 0.00 H new ATOM 0 HH TYR A 146 122.032 -14.956 6.311 1.00 0.00 H new ATOM 2185 N ARG A 147 115.706 -17.622 5.250 1.00 0.00 N ATOM 2186 CA ARG A 147 115.575 -17.996 6.657 1.00 0.00 C ATOM 2187 C ARG A 147 116.750 -18.865 7.093 1.00 0.00 C ATOM 2188 O ARG A 147 117.309 -19.614 6.294 1.00 0.00 O ATOM 2189 CB ARG A 147 114.272 -18.770 6.868 1.00 0.00 C ATOM 2190 CG ARG A 147 113.079 -17.878 6.518 1.00 0.00 C ATOM 2191 CD ARG A 147 111.779 -18.620 6.834 1.00 0.00 C ATOM 2192 NE ARG A 147 110.627 -17.864 6.331 1.00 0.00 N ATOM 2193 CZ ARG A 147 109.361 -18.122 6.686 1.00 0.00 C ATOM 2194 NH1 ARG A 147 109.048 -19.089 7.515 1.00 0.00 N ATOM 2195 NH2 ARG A 147 108.405 -17.385 6.189 1.00 0.00 N ATOM 0 H ARG A 147 115.700 -18.409 4.602 1.00 0.00 H new ATOM 0 HA ARG A 147 115.566 -17.085 7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 147 114.264 -19.665 6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 147 114.199 -19.102 7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 147 113.127 -16.949 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 147 113.110 -17.609 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 147 111.798 -19.611 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 147 111.687 -18.764 7.911 1.00 0.00 H new ATOM 0 HE ARG A 147 110.799 -17.101 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 147 109.781 -19.676 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 147 108.072 -19.254 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 147 108.628 -16.628 5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 147 107.435 -17.566 6.447 1.00 0.00 H new ATOM 2209 N PHE A 148 117.120 -18.757 8.365 1.00 0.00 N ATOM 2210 CA PHE A 148 118.241 -19.531 8.890 1.00 0.00 C ATOM 2211 C PHE A 148 117.842 -20.991 9.074 1.00 0.00 C ATOM 2212 O PHE A 148 116.655 -21.256 9.159 1.00 0.00 O ATOM 2213 CB PHE A 148 118.692 -18.950 10.230 1.00 0.00 C ATOM 2214 CG PHE A 148 119.943 -19.600 10.775 1.00 0.00 C ATOM 2215 CD1 PHE A 148 121.202 -19.145 10.368 1.00 0.00 C ATOM 2216 CD2 PHE A 148 119.842 -20.659 11.687 1.00 0.00 C ATOM 2217 CE1 PHE A 148 122.361 -19.748 10.871 1.00 0.00 C ATOM 2218 CE2 PHE A 148 121.001 -21.260 12.190 1.00 0.00 C ATOM 2219 CZ PHE A 148 122.260 -20.805 11.782 1.00 0.00 C ATOM 2220 OXT PHE A 148 118.732 -21.823 9.126 1.00 0.00 O ATOM 0 H PHE A 148 116.666 -18.148 9.046 1.00 0.00 H new ATOM 0 HA PHE A 148 119.063 -19.478 8.176 1.00 0.00 H new ATOM 0 HB2 PHE A 148 118.868 -17.881 10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 148 117.887 -19.063 10.956 1.00 0.00 H new ATOM 0 HD1 PHE A 148 121.280 -18.328 9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 148 118.871 -21.011 12.001 1.00 0.00 H new ATOM 0 HE1 PHE A 148 123.333 -19.397 10.556 1.00 0.00 H new ATOM 0 HE2 PHE A 148 120.924 -22.076 12.894 1.00 0.00 H new ATOM 0 HZ PHE A 148 123.154 -21.270 12.171 1.00 0.00 H new TER 2230 PHE A 148