USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=49 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 80 TYR OH : rot -143:sc= 1.2 USER MOD Set 1.2: A 126 SER OG : rot -163:sc= 0.557 USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= -0.832 USER MOD Set 2.3: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 58 ASN : amide:sc= -1.54 K(o=-4.8,f=-1.8!) USER MOD Set 3.2: A 60 ASN : amide:sc= -3.3 K(o=-4.8,f=-1.8) USER MOD Set 4.1: A 25 ASN : amide:sc= -4.01! C(o=-3.8!,f=-10!) USER MOD Set 4.2: A 44 THR OG1 : rot -66:sc= 0.251 USER MOD Set 5.1: A 12 SER OG : rot 180:sc= 0.247 USER MOD Set 5.2: A 139 THR OG1 : rot -80:sc= 0.265 USER MOD Single : A 1 ALA N :NH3+ 167:sc= 0 (180deg=-0.242) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0882 USER MOD Single : A 6 THR OG1 : rot -166:sc= -0.608 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.4) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 18 MET CE :methyl 135:sc= -0.128 (180deg=-1.02) USER MOD Single : A 19 ASN : amide:sc= -0.72 K(o=-0.72,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 21 MET CE :methyl -156:sc= -0.212 (180deg=-1.29) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0448) 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 34 ASN : amide:sc= -0.0694 X(o=-0.069,f=-0.084) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0057 USER MOD Single : A 42 SER OG : rot -160:sc=-0.00123 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 53 SER OG : rot -36:sc= -0.0784! 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0688 K(o=-0.069,f=-0.79) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 63 TYR OH : rot 59:sc= 0.143 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -74:sc= 0.855 USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= -0.245 (180deg=-1.06) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 92 THR OG1 : rot 128:sc= 0.894 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+ -172:sc= 0 (180deg=-0.0853) USER MOD Single : A 100 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-5.8!) USER MOD Single : A 108 SER OG : rot 180:sc=-0.000546 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -2.9! C(o=-2.9!,f=-2.5!) USER MOD Single : A 116 ASN : amide:sc= -0.468 K(o=-0.47,f=-1.8!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 130 SER OG : rot 22:sc= 1.1 USER MOD Single : A 134 SER OG : rot -67:sc= 1.25 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 115.576 -25.318 7.244 1.00 0.00 N ATOM 2 CA ALA A 1 115.501 -23.850 7.492 1.00 0.00 C ATOM 3 C ALA A 1 116.436 -23.126 6.530 1.00 0.00 C ATOM 4 O ALA A 1 117.658 -23.257 6.620 1.00 0.00 O ATOM 5 CB ALA A 1 115.909 -23.559 8.937 1.00 0.00 C ATOM 0 H1 ALA A 1 115.119 -25.826 8.028 1.00 0.00 H new ATOM 0 H2 ALA A 1 115.089 -25.545 6.354 1.00 0.00 H new ATOM 0 H3 ALA A 1 116.572 -25.608 7.177 1.00 0.00 H new ATOM 0 HA ALA A 1 114.481 -23.500 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.855 -22.486 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 1 115.234 -24.078 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.929 -23.905 9.104 1.00 0.00 H new ATOM 13 N THR A 2 115.856 -22.360 5.609 1.00 0.00 N ATOM 14 CA THR A 2 116.640 -21.617 4.626 1.00 0.00 C ATOM 15 C THR A 2 116.331 -20.126 4.712 1.00 0.00 C ATOM 16 O THR A 2 115.183 -19.730 4.914 1.00 0.00 O ATOM 17 CB THR A 2 116.324 -22.121 3.215 1.00 0.00 C ATOM 18 OG1 THR A 2 114.952 -21.888 2.928 1.00 0.00 O ATOM 19 CG2 THR A 2 116.619 -23.619 3.123 1.00 0.00 C ATOM 0 H THR A 2 114.847 -22.238 5.523 1.00 0.00 H new ATOM 0 HA THR A 2 117.697 -21.773 4.841 1.00 0.00 H new ATOM 0 HB THR A 2 116.944 -21.589 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 2 114.748 -22.208 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 2 116.393 -23.973 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 2 117.672 -23.797 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 2 116.003 -24.156 3.844 1.00 0.00 H new ATOM 27 N SER A 3 117.365 -19.303 4.558 1.00 0.00 N ATOM 28 CA SER A 3 117.204 -17.852 4.616 1.00 0.00 C ATOM 29 C SER A 3 117.712 -17.218 3.327 1.00 0.00 C ATOM 30 O SER A 3 118.652 -17.721 2.711 1.00 0.00 O ATOM 31 CB SER A 3 117.984 -17.289 5.805 1.00 0.00 C ATOM 32 OG SER A 3 117.514 -17.897 7.001 1.00 0.00 O ATOM 0 H SER A 3 118.322 -19.615 4.392 1.00 0.00 H new ATOM 0 HA SER A 3 116.146 -17.620 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 3 119.050 -17.480 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 117.858 -16.208 5.859 1.00 0.00 H new ATOM 0 HG SER A 3 118.012 -17.541 7.766 1.00 0.00 H new ATOM 38 N THR A 4 117.085 -16.117 2.920 1.00 0.00 N ATOM 39 CA THR A 4 117.468 -15.433 1.688 1.00 0.00 C ATOM 40 C THR A 4 117.715 -13.952 1.955 1.00 0.00 C ATOM 41 O THR A 4 116.915 -13.292 2.618 1.00 0.00 O ATOM 42 CB THR A 4 116.357 -15.586 0.646 1.00 0.00 C ATOM 43 OG1 THR A 4 116.033 -16.961 0.498 1.00 0.00 O ATOM 44 CG2 THR A 4 116.832 -15.025 -0.695 1.00 0.00 C ATOM 0 H THR A 4 116.312 -15.681 3.423 1.00 0.00 H new ATOM 0 HA THR A 4 118.387 -15.881 1.312 1.00 0.00 H new ATOM 0 HB THR A 4 115.474 -15.038 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 4 115.321 -17.059 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 4 116.040 -15.134 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 4 117.079 -13.969 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 4 117.716 -15.571 -1.025 1.00 0.00 H new ATOM 52 N VAL A 5 118.826 -13.432 1.437 1.00 0.00 N ATOM 53 CA VAL A 5 119.162 -12.021 1.626 1.00 0.00 C ATOM 54 C VAL A 5 119.394 -11.366 0.269 1.00 0.00 C ATOM 55 O VAL A 5 120.128 -11.898 -0.561 1.00 0.00 O ATOM 56 CB VAL A 5 120.423 -11.886 2.489 1.00 0.00 C ATOM 57 CG1 VAL A 5 120.711 -10.407 2.758 1.00 0.00 C ATOM 58 CG2 VAL A 5 120.216 -12.604 3.826 1.00 0.00 C ATOM 0 H VAL A 5 119.504 -13.960 0.888 1.00 0.00 H new ATOM 0 HA VAL A 5 118.335 -11.524 2.133 1.00 0.00 H new ATOM 0 HB VAL A 5 121.263 -12.333 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 5 121.608 -10.317 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 5 120.865 -9.888 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 5 119.866 -9.961 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 5 121.115 -12.505 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 5 119.371 -12.159 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 5 120.015 -13.660 3.645 1.00 0.00 H new ATOM 68 N THR A 6 118.751 -10.226 0.040 1.00 0.00 N ATOM 69 CA THR A 6 118.913 -9.509 -1.221 1.00 0.00 C ATOM 70 C THR A 6 118.962 -8.000 -0.996 1.00 0.00 C ATOM 71 O THR A 6 118.466 -7.491 0.009 1.00 0.00 O ATOM 72 CB THR A 6 117.776 -9.877 -2.184 1.00 0.00 C ATOM 73 OG1 THR A 6 118.016 -9.280 -3.449 1.00 0.00 O ATOM 74 CG2 THR A 6 116.426 -9.401 -1.640 1.00 0.00 C ATOM 0 H THR A 6 118.118 -9.781 0.704 1.00 0.00 H new ATOM 0 HA THR A 6 119.862 -9.807 -1.666 1.00 0.00 H new ATOM 0 HB THR A 6 117.744 -10.962 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 6 117.199 -9.318 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 6 115.636 -9.673 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 6 116.236 -9.872 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 6 116.445 -8.318 -1.517 1.00 0.00 H new ATOM 82 N GLY A 7 119.562 -7.293 -1.947 1.00 0.00 N ATOM 83 CA GLY A 7 119.609 -5.837 -1.899 1.00 0.00 C ATOM 84 C GLY A 7 119.452 -5.279 -3.307 1.00 0.00 C ATOM 85 O GLY A 7 119.841 -5.938 -4.271 1.00 0.00 O ATOM 0 H GLY A 7 120.022 -7.704 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 118.816 -5.458 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 7 120.554 -5.507 -1.468 1.00 0.00 H new ATOM 89 N GLY A 8 118.891 -4.078 -3.427 1.00 0.00 N ATOM 90 CA GLY A 8 118.634 -3.517 -4.749 1.00 0.00 C ATOM 91 C GLY A 8 118.633 -1.994 -4.738 1.00 0.00 C ATOM 92 O GLY A 8 118.627 -1.364 -3.681 1.00 0.00 O ATOM 0 H GLY A 8 118.611 -3.487 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 8 119.392 -3.873 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 8 117.672 -3.877 -5.113 1.00 0.00 H new ATOM 96 N TYR A 9 118.612 -1.425 -5.937 1.00 0.00 N ATOM 97 CA TYR A 9 118.585 0.022 -6.111 1.00 0.00 C ATOM 98 C TYR A 9 117.340 0.417 -6.897 1.00 0.00 C ATOM 99 O TYR A 9 116.902 -0.321 -7.782 1.00 0.00 O ATOM 100 CB TYR A 9 119.839 0.477 -6.860 1.00 0.00 C ATOM 101 CG TYR A 9 119.923 1.973 -7.050 1.00 0.00 C ATOM 102 CD1 TYR A 9 120.555 2.766 -6.085 1.00 0.00 C ATOM 103 CD2 TYR A 9 119.371 2.567 -8.191 1.00 0.00 C ATOM 104 CE1 TYR A 9 120.636 4.152 -6.260 1.00 0.00 C ATOM 105 CE2 TYR A 9 119.453 3.954 -8.367 1.00 0.00 C ATOM 106 CZ TYR A 9 120.085 4.746 -7.401 1.00 0.00 C ATOM 107 OH TYR A 9 120.166 6.113 -7.574 1.00 0.00 O ATOM 0 H TYR A 9 118.613 -1.950 -6.812 1.00 0.00 H new ATOM 0 HA TYR A 9 118.561 0.503 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 9 120.720 0.139 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 9 119.864 -0.006 -7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 9 120.981 2.308 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 9 118.882 1.956 -8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 9 121.124 4.763 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 9 119.029 4.413 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 9 119.735 6.362 -8.418 1.00 0.00 H new ATOM 117 N ALA A 10 116.736 1.545 -6.527 1.00 0.00 N ATOM 118 CA ALA A 10 115.540 2.016 -7.220 1.00 0.00 C ATOM 119 C ALA A 10 115.570 3.528 -7.425 1.00 0.00 C ATOM 120 O ALA A 10 116.117 4.266 -6.606 1.00 0.00 O ATOM 121 CB ALA A 10 114.294 1.635 -6.420 1.00 0.00 C ATOM 0 H ALA A 10 117.050 2.142 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 10 115.513 1.540 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 113.405 1.989 -6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 10 114.246 0.551 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 10 114.342 2.093 -5.432 1.00 0.00 H new ATOM 127 N GLN A 11 114.967 3.968 -8.526 1.00 0.00 N ATOM 128 CA GLN A 11 114.805 5.392 -8.806 1.00 0.00 C ATOM 129 C GLN A 11 113.318 5.726 -8.861 1.00 0.00 C ATOM 130 O GLN A 11 112.528 4.947 -9.397 1.00 0.00 O ATOM 131 CB GLN A 11 115.460 5.747 -10.142 1.00 0.00 C ATOM 132 CG GLN A 11 116.969 5.508 -10.050 1.00 0.00 C ATOM 133 CD GLN A 11 117.638 5.768 -11.400 1.00 0.00 C ATOM 134 OE1 GLN A 11 116.973 5.791 -12.437 1.00 0.00 O ATOM 135 NE2 GLN A 11 118.926 5.968 -11.446 1.00 0.00 N ATOM 0 H GLN A 11 114.580 3.354 -9.243 1.00 0.00 H new ATOM 0 HA GLN A 11 115.285 5.969 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 11 115.033 5.141 -10.941 1.00 0.00 H new ATOM 0 HB3 GLN A 11 115.261 6.789 -10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 11 117.401 6.162 -9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 11 117.162 4.483 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 11 119.476 5.949 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 11 119.383 6.144 -12.341 1.00 0.00 H new ATOM 144 N SER A 12 112.927 6.876 -8.313 1.00 0.00 N ATOM 145 CA SER A 12 111.510 7.216 -8.212 1.00 0.00 C ATOM 146 C SER A 12 111.201 8.492 -8.984 1.00 0.00 C ATOM 147 O SER A 12 111.951 9.465 -8.912 1.00 0.00 O ATOM 148 CB SER A 12 111.135 7.416 -6.743 1.00 0.00 C ATOM 149 OG SER A 12 111.489 6.252 -6.008 1.00 0.00 O ATOM 0 H SER A 12 113.563 7.579 -7.937 1.00 0.00 H new ATOM 0 HA SER A 12 110.930 6.398 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 12 111.651 8.287 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 12 110.066 7.608 -6.651 1.00 0.00 H new ATOM 0 HG SER A 12 111.252 6.376 -5.065 1.00 0.00 H new ATOM 155 N ASP A 13 110.079 8.475 -9.697 1.00 0.00 N ATOM 156 CA ASP A 13 109.614 9.647 -10.429 1.00 0.00 C ATOM 157 C ASP A 13 108.277 10.075 -9.846 1.00 0.00 C ATOM 158 O ASP A 13 107.442 9.226 -9.546 1.00 0.00 O ATOM 159 CB ASP A 13 109.450 9.312 -11.914 1.00 0.00 C ATOM 160 CG ASP A 13 110.793 8.915 -12.523 1.00 0.00 C ATOM 161 OD1 ASP A 13 111.806 9.434 -12.079 1.00 0.00 O ATOM 162 OD2 ASP A 13 110.789 8.095 -13.426 1.00 0.00 O ATOM 0 H ASP A 13 109.473 7.659 -9.783 1.00 0.00 H new ATOM 0 HA ASP A 13 110.341 10.454 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 13 108.735 8.498 -12.033 1.00 0.00 H new ATOM 0 HB3 ASP A 13 109.043 10.173 -12.445 1.00 0.00 H new ATOM 167 N ALA A 14 108.065 11.377 -9.692 1.00 0.00 N ATOM 168 CA ALA A 14 106.883 11.868 -8.992 1.00 0.00 C ATOM 169 C ALA A 14 106.172 12.936 -9.810 1.00 0.00 C ATOM 170 O ALA A 14 106.704 14.020 -10.049 1.00 0.00 O ATOM 171 CB ALA A 14 107.294 12.445 -7.638 1.00 0.00 C ATOM 0 H ALA A 14 108.689 12.106 -10.038 1.00 0.00 H new ATOM 0 HA ALA A 14 106.196 11.034 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.411 12.812 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.772 11.668 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 14 107.993 13.267 -7.790 1.00 0.00 H new ATOM 177 N GLN A 15 104.959 12.608 -10.232 1.00 0.00 N ATOM 178 CA GLN A 15 104.117 13.557 -10.946 1.00 0.00 C ATOM 179 C GLN A 15 103.526 14.556 -9.959 1.00 0.00 C ATOM 180 O GLN A 15 102.843 14.170 -9.007 1.00 0.00 O ATOM 181 CB GLN A 15 102.993 12.818 -11.673 1.00 0.00 C ATOM 182 CG GLN A 15 103.590 11.920 -12.760 1.00 0.00 C ATOM 183 CD GLN A 15 102.496 11.102 -13.444 1.00 0.00 C ATOM 184 OE1 GLN A 15 101.395 10.955 -12.913 1.00 0.00 O ATOM 185 NE2 GLN A 15 102.738 10.555 -14.604 1.00 0.00 N ATOM 0 H GLN A 15 104.536 11.691 -10.092 1.00 0.00 H new ATOM 0 HA GLN A 15 104.721 14.089 -11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 15 102.421 12.218 -10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.301 13.534 -12.117 1.00 0.00 H new ATOM 0 HG2 GLN A 15 104.110 12.530 -13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 15 104.330 11.251 -12.321 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.650 10.676 -15.045 1.00 0.00 H new ATOM 0 HE22 GLN A 15 102.015 10.006 -15.070 1.00 0.00 H new ATOM 194 N GLY A 16 103.808 15.830 -10.205 1.00 0.00 N ATOM 195 CA GLY A 16 103.401 16.911 -9.308 1.00 0.00 C ATOM 196 C GLY A 16 104.511 17.320 -8.328 1.00 0.00 C ATOM 197 O GLY A 16 104.421 18.374 -7.699 1.00 0.00 O ATOM 0 H GLY A 16 104.323 16.144 -11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.108 17.778 -9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.522 16.598 -8.744 1.00 0.00 H new ATOM 201 N GLN A 17 105.555 16.498 -8.193 1.00 0.00 N ATOM 202 CA GLN A 17 106.733 16.864 -7.414 1.00 0.00 C ATOM 203 C GLN A 17 107.949 16.938 -8.334 1.00 0.00 C ATOM 204 O GLN A 17 108.023 16.208 -9.323 1.00 0.00 O ATOM 205 CB GLN A 17 106.970 15.836 -6.303 1.00 0.00 C ATOM 206 CG GLN A 17 108.063 16.333 -5.354 1.00 0.00 C ATOM 207 CD GLN A 17 108.389 15.255 -4.325 1.00 0.00 C ATOM 208 OE1 GLN A 17 108.801 14.154 -4.689 1.00 0.00 O ATOM 209 NE2 GLN A 17 108.230 15.509 -3.056 1.00 0.00 N ATOM 0 H GLN A 17 105.605 15.571 -8.616 1.00 0.00 H new ATOM 0 HA GLN A 17 106.572 17.839 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 17 106.046 15.667 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 17 107.261 14.880 -6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 17 108.958 16.590 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 17 107.733 17.241 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 17 107.888 16.423 -2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 17 108.447 14.794 -2.362 1.00 0.00 H new ATOM 218 N MET A 18 108.897 17.811 -8.013 1.00 0.00 N ATOM 219 CA MET A 18 110.091 17.962 -8.839 1.00 0.00 C ATOM 220 C MET A 18 111.260 17.167 -8.264 1.00 0.00 C ATOM 221 O MET A 18 111.212 16.705 -7.123 1.00 0.00 O ATOM 222 CB MET A 18 110.476 19.440 -8.931 1.00 0.00 C ATOM 223 CG MET A 18 109.359 20.218 -9.629 1.00 0.00 C ATOM 224 SD MET A 18 109.909 21.913 -9.942 1.00 0.00 S ATOM 225 CE MET A 18 111.070 21.531 -11.276 1.00 0.00 C ATOM 0 H MET A 18 108.864 18.420 -7.195 1.00 0.00 H new ATOM 0 HA MET A 18 109.866 17.577 -9.834 1.00 0.00 H new ATOM 0 HB2 MET A 18 110.646 19.845 -7.933 1.00 0.00 H new ATOM 0 HB3 MET A 18 111.409 19.550 -9.483 1.00 0.00 H new ATOM 0 HG2 MET A 18 109.094 19.731 -10.568 1.00 0.00 H new ATOM 0 HG3 MET A 18 108.463 20.224 -9.009 1.00 0.00 H new ATOM 0 HE1 MET A 18 110.935 22.242 -12.091 1.00 0.00 H new ATOM 0 HE2 MET A 18 112.091 21.599 -10.900 1.00 0.00 H new ATOM 0 HE3 MET A 18 110.885 20.521 -11.642 1.00 0.00 H new ATOM 235 N ASN A 19 112.313 17.013 -9.068 1.00 0.00 N ATOM 236 CA ASN A 19 113.536 16.328 -8.640 1.00 0.00 C ATOM 237 C ASN A 19 113.321 14.824 -8.480 1.00 0.00 C ATOM 238 O ASN A 19 112.488 14.381 -7.689 1.00 0.00 O ATOM 239 CB ASN A 19 114.060 16.912 -7.323 1.00 0.00 C ATOM 240 CG ASN A 19 115.496 16.455 -7.074 1.00 0.00 C ATOM 241 OD1 ASN A 19 116.202 16.067 -8.005 1.00 0.00 O ATOM 242 ND2 ASN A 19 115.972 16.480 -5.859 1.00 0.00 N ATOM 0 H ASN A 19 112.344 17.357 -10.028 1.00 0.00 H new ATOM 0 HA ASN A 19 114.276 16.487 -9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 19 114.019 18.001 -7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 19 113.422 16.595 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 19 116.930 16.178 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 19 115.386 16.802 -5.088 1.00 0.00 H new ATOM 249 N LYS A 20 114.087 14.050 -9.245 1.00 0.00 N ATOM 250 CA LYS A 20 114.065 12.593 -9.140 1.00 0.00 C ATOM 251 C LYS A 20 114.722 12.156 -7.832 1.00 0.00 C ATOM 252 O LYS A 20 115.570 12.869 -7.296 1.00 0.00 O ATOM 253 CB LYS A 20 114.818 11.985 -10.326 1.00 0.00 C ATOM 254 CG LYS A 20 114.677 10.462 -10.307 1.00 0.00 C ATOM 255 CD LYS A 20 115.346 9.874 -11.552 1.00 0.00 C ATOM 256 CE LYS A 20 116.859 10.081 -11.467 1.00 0.00 C ATOM 257 NZ LYS A 20 117.534 9.237 -12.493 1.00 0.00 N ATOM 0 H LYS A 20 114.733 14.409 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 20 113.032 12.247 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 20 114.424 12.384 -11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 20 115.871 12.262 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 115.137 10.054 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 20 113.623 10.184 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 20 115.118 8.811 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 20 114.953 10.353 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 117.103 11.131 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 117.217 9.819 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 118.565 9.312 -12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 117.244 8.246 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 117.265 9.564 -13.443 1.00 0.00 H new ATOM 271 N MET A 21 114.335 10.990 -7.315 1.00 0.00 N ATOM 272 CA MET A 21 114.854 10.530 -6.027 1.00 0.00 C ATOM 273 C MET A 21 115.518 9.165 -6.175 1.00 0.00 C ATOM 274 O MET A 21 115.193 8.415 -7.093 1.00 0.00 O ATOM 275 CB MET A 21 113.708 10.434 -5.018 1.00 0.00 C ATOM 276 CG MET A 21 113.114 11.825 -4.790 1.00 0.00 C ATOM 277 SD MET A 21 111.915 11.765 -3.435 1.00 0.00 S ATOM 278 CE MET A 21 110.776 10.570 -4.178 1.00 0.00 C ATOM 0 H MET A 21 113.673 10.354 -7.761 1.00 0.00 H new ATOM 0 HA MET A 21 115.597 11.245 -5.674 1.00 0.00 H new ATOM 0 HB2 MET A 21 112.940 9.754 -5.387 1.00 0.00 H new ATOM 0 HB3 MET A 21 114.071 10.023 -4.076 1.00 0.00 H new ATOM 0 HG2 MET A 21 113.907 12.535 -4.555 1.00 0.00 H new ATOM 0 HG3 MET A 21 112.630 12.178 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 21 109.784 10.694 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 21 110.724 10.737 -5.254 1.00 0.00 H new ATOM 0 HE3 MET A 21 111.133 9.558 -3.985 1.00 0.00 H new ATOM 288 N GLY A 22 116.432 8.838 -5.264 1.00 0.00 N ATOM 289 CA GLY A 22 117.129 7.556 -5.329 1.00 0.00 C ATOM 290 C GLY A 22 117.215 6.927 -3.945 1.00 0.00 C ATOM 291 O GLY A 22 117.400 7.635 -2.957 1.00 0.00 O ATOM 0 H GLY A 22 116.705 9.434 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 22 116.605 6.884 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 22 118.131 7.700 -5.733 1.00 0.00 H new ATOM 295 N GLY A 23 117.069 5.606 -3.874 1.00 0.00 N ATOM 296 CA GLY A 23 117.101 4.926 -2.585 1.00 0.00 C ATOM 297 C GLY A 23 117.593 3.488 -2.703 1.00 0.00 C ATOM 298 O GLY A 23 117.684 2.933 -3.798 1.00 0.00 O ATOM 0 H GLY A 23 116.930 4.996 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 23 117.750 5.475 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 23 116.102 4.932 -2.149 1.00 0.00 H new ATOM 302 N PHE A 24 117.882 2.893 -1.548 1.00 0.00 N ATOM 303 CA PHE A 24 118.360 1.514 -1.485 1.00 0.00 C ATOM 304 C PHE A 24 117.403 0.677 -0.644 1.00 0.00 C ATOM 305 O PHE A 24 116.784 1.194 0.287 1.00 0.00 O ATOM 306 CB PHE A 24 119.751 1.473 -0.846 1.00 0.00 C ATOM 307 CG PHE A 24 120.794 2.271 -1.593 1.00 0.00 C ATOM 308 CD1 PHE A 24 121.553 1.664 -2.601 1.00 0.00 C ATOM 309 CD2 PHE A 24 121.005 3.618 -1.272 1.00 0.00 C ATOM 310 CE1 PHE A 24 122.525 2.404 -3.286 1.00 0.00 C ATOM 311 CE2 PHE A 24 121.975 4.358 -1.959 1.00 0.00 C ATOM 312 CZ PHE A 24 122.735 3.751 -2.966 1.00 0.00 C ATOM 0 H PHE A 24 117.793 3.347 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 24 118.411 1.112 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 24 119.682 1.850 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 24 120.079 0.436 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 24 121.389 0.626 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 24 120.419 4.086 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 24 123.113 1.935 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 24 122.137 5.397 -1.712 1.00 0.00 H new ATOM 0 HZ PHE A 24 123.483 4.322 -3.496 1.00 0.00 H new ATOM 322 N ASN A 25 117.283 -0.610 -0.970 1.00 0.00 N ATOM 323 CA ASN A 25 116.386 -1.499 -0.235 1.00 0.00 C ATOM 324 C ASN A 25 117.121 -2.760 0.202 1.00 0.00 C ATOM 325 O ASN A 25 117.903 -3.319 -0.564 1.00 0.00 O ATOM 326 CB ASN A 25 115.202 -1.893 -1.122 1.00 0.00 C ATOM 327 CG ASN A 25 114.405 -0.658 -1.541 1.00 0.00 C ATOM 328 OD1 ASN A 25 114.556 0.415 -0.959 1.00 0.00 O ATOM 329 ND2 ASN A 25 113.555 -0.751 -2.527 1.00 0.00 N ATOM 0 H ASN A 25 117.792 -1.057 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 25 116.028 -0.970 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 25 115.563 -2.416 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 25 114.554 -2.585 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 25 113.016 0.066 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.429 -1.641 -3.010 1.00 0.00 H new ATOM 336 N LEU A 26 116.862 -3.203 1.432 1.00 0.00 N ATOM 337 CA LEU A 26 117.442 -4.448 1.929 1.00 0.00 C ATOM 338 C LEU A 26 116.328 -5.343 2.460 1.00 0.00 C ATOM 339 O LEU A 26 115.438 -4.874 3.170 1.00 0.00 O ATOM 340 CB LEU A 26 118.450 -4.155 3.042 1.00 0.00 C ATOM 341 CG LEU A 26 119.156 -5.448 3.450 1.00 0.00 C ATOM 342 CD1 LEU A 26 120.175 -5.836 2.376 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.878 -5.234 4.782 1.00 0.00 C ATOM 0 H LEU A 26 116.258 -2.721 2.098 1.00 0.00 H new ATOM 0 HA LEU A 26 117.961 -4.954 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 26 119.181 -3.422 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.941 -3.720 3.902 1.00 0.00 H new ATOM 0 HG LEU A 26 118.420 -6.245 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.678 -6.758 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.663 -5.987 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.911 -5.040 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.382 -6.155 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.613 -4.437 4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.154 -4.958 5.548 1.00 0.00 H new ATOM 355 N LYS A 27 116.377 -6.631 2.126 1.00 0.00 N ATOM 356 CA LYS A 27 115.284 -7.539 2.469 1.00 0.00 C ATOM 357 C LYS A 27 115.778 -8.751 3.251 1.00 0.00 C ATOM 358 O LYS A 27 116.864 -9.275 2.998 1.00 0.00 O ATOM 359 CB LYS A 27 114.600 -8.014 1.188 1.00 0.00 C ATOM 360 CG LYS A 27 113.990 -6.814 0.462 1.00 0.00 C ATOM 361 CD LYS A 27 113.215 -7.296 -0.766 1.00 0.00 C ATOM 362 CE LYS A 27 112.706 -6.089 -1.557 1.00 0.00 C ATOM 363 NZ LYS A 27 113.824 -5.513 -2.357 1.00 0.00 N ATOM 0 H LYS A 27 117.152 -7.066 1.624 1.00 0.00 H new ATOM 0 HA LYS A 27 114.582 -6.994 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.321 -8.515 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 27 113.824 -8.742 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.326 -6.270 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 27 114.775 -6.121 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 27 113.857 -7.912 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.377 -7.921 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 111.891 -6.389 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 27 112.306 -5.337 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 113.453 -4.781 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 114.527 -5.090 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 114.274 -6.265 -2.917 1.00 0.00 H new ATOM 377 N TYR A 28 114.960 -9.187 4.204 1.00 0.00 N ATOM 378 CA TYR A 28 115.231 -10.408 4.957 1.00 0.00 C ATOM 379 C TYR A 28 114.065 -11.378 4.792 1.00 0.00 C ATOM 380 O TYR A 28 112.905 -10.965 4.839 1.00 0.00 O ATOM 381 CB TYR A 28 115.422 -10.082 6.439 1.00 0.00 C ATOM 382 CG TYR A 28 115.790 -11.283 7.277 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.136 -11.620 7.467 1.00 0.00 C ATOM 384 CD2 TYR A 28 114.785 -12.059 7.867 1.00 0.00 C ATOM 385 CE1 TYR A 28 117.476 -12.733 8.243 1.00 0.00 C ATOM 386 CE2 TYR A 28 115.125 -13.173 8.644 1.00 0.00 C ATOM 387 CZ TYR A 28 116.472 -13.510 8.832 1.00 0.00 C ATOM 388 OH TYR A 28 116.807 -14.608 9.598 1.00 0.00 O ATOM 0 H TYR A 28 114.100 -8.710 4.474 1.00 0.00 H new ATOM 0 HA TYR A 28 116.144 -10.866 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 28 116.201 -9.326 6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 28 114.502 -9.645 6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 28 117.912 -11.020 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 28 113.747 -11.798 7.723 1.00 0.00 H new ATOM 0 HE1 TYR A 28 118.514 -12.993 8.388 1.00 0.00 H new ATOM 0 HE2 TYR A 28 114.350 -13.772 9.098 1.00 0.00 H new ATOM 0 HH TYR A 28 115.991 -15.035 9.933 1.00 0.00 H new ATOM 398 N ARG A 29 114.376 -12.659 4.587 1.00 0.00 N ATOM 399 CA ARG A 29 113.344 -13.664 4.335 1.00 0.00 C ATOM 400 C ARG A 29 113.558 -14.907 5.195 1.00 0.00 C ATOM 401 O ARG A 29 114.690 -15.352 5.391 1.00 0.00 O ATOM 402 CB ARG A 29 113.355 -14.055 2.855 1.00 0.00 C ATOM 403 CG ARG A 29 112.178 -14.987 2.558 1.00 0.00 C ATOM 404 CD ARG A 29 112.256 -15.466 1.107 1.00 0.00 C ATOM 405 NE ARG A 29 112.180 -14.324 0.191 1.00 0.00 N ATOM 406 CZ ARG A 29 111.874 -14.439 -1.110 1.00 0.00 C ATOM 407 NH1 ARG A 29 111.618 -15.598 -1.669 1.00 0.00 N ATOM 408 NH2 ARG A 29 111.830 -13.361 -1.845 1.00 0.00 N ATOM 0 H ARG A 29 115.329 -13.023 4.591 1.00 0.00 H new ATOM 0 HA ARG A 29 112.378 -13.231 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 29 113.290 -13.162 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 29 114.294 -14.549 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 112.198 -15.841 3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 29 111.236 -14.466 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 29 113.187 -16.009 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 29 111.442 -16.161 0.902 1.00 0.00 H new ATOM 0 HE ARG A 29 112.370 -13.393 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 29 111.648 -16.451 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 29 111.389 -15.646 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 29 112.027 -12.451 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 29 111.599 -13.429 -2.836 1.00 0.00 H new ATOM 422 N TYR A 30 112.461 -15.463 5.707 1.00 0.00 N ATOM 423 CA TYR A 30 112.525 -16.670 6.530 1.00 0.00 C ATOM 424 C TYR A 30 111.551 -17.725 6.009 1.00 0.00 C ATOM 425 O TYR A 30 110.419 -17.408 5.643 1.00 0.00 O ATOM 426 CB TYR A 30 112.179 -16.329 7.980 1.00 0.00 C ATOM 427 CG TYR A 30 112.304 -17.505 8.921 1.00 0.00 C ATOM 428 CD1 TYR A 30 113.545 -17.822 9.486 1.00 0.00 C ATOM 429 CD2 TYR A 30 111.177 -18.278 9.226 1.00 0.00 C ATOM 430 CE1 TYR A 30 113.658 -18.912 10.357 1.00 0.00 C ATOM 431 CE2 TYR A 30 111.291 -19.367 10.098 1.00 0.00 C ATOM 432 CZ TYR A 30 112.532 -19.685 10.663 1.00 0.00 C ATOM 433 OH TYR A 30 112.644 -20.759 11.522 1.00 0.00 O ATOM 0 H TYR A 30 111.519 -15.098 5.567 1.00 0.00 H new ATOM 0 HA TYR A 30 113.538 -17.069 6.481 1.00 0.00 H new ATOM 0 HB2 TYR A 30 112.834 -15.528 8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.159 -15.947 8.022 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.414 -17.226 9.250 1.00 0.00 H new ATOM 0 HD2 TYR A 30 110.220 -18.034 8.789 1.00 0.00 H new ATOM 0 HE1 TYR A 30 114.615 -19.157 10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 30 110.421 -19.962 10.335 1.00 0.00 H new ATOM 0 HH TYR A 30 111.768 -21.186 11.627 1.00 0.00 H new ATOM 443 N GLU A 31 111.995 -18.979 5.976 1.00 0.00 N ATOM 444 CA GLU A 31 111.163 -20.070 5.471 1.00 0.00 C ATOM 445 C GLU A 31 111.208 -21.277 6.408 1.00 0.00 C ATOM 446 O GLU A 31 112.222 -21.533 7.056 1.00 0.00 O ATOM 447 CB GLU A 31 111.643 -20.488 4.080 1.00 0.00 C ATOM 448 CG GLU A 31 111.503 -19.306 3.113 1.00 0.00 C ATOM 449 CD GLU A 31 111.889 -19.694 1.681 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.430 -20.771 1.478 1.00 0.00 O ATOM 451 OE2 GLU A 31 111.631 -18.894 0.797 1.00 0.00 O ATOM 0 H GLU A 31 112.922 -19.265 6.291 1.00 0.00 H new ATOM 0 HA GLU A 31 110.135 -19.713 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 31 112.682 -20.813 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 111.059 -21.336 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.475 -18.944 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 31 112.135 -18.484 3.450 1.00 0.00 H new ATOM 458 N GLU A 32 110.100 -22.013 6.471 1.00 0.00 N ATOM 459 CA GLU A 32 110.031 -23.213 7.301 1.00 0.00 C ATOM 460 C GLU A 32 110.316 -24.457 6.463 1.00 0.00 C ATOM 461 O GLU A 32 109.890 -24.554 5.312 1.00 0.00 O ATOM 462 CB GLU A 32 108.647 -23.330 7.940 1.00 0.00 C ATOM 463 CG GLU A 32 108.649 -24.474 8.962 1.00 0.00 C ATOM 464 CD GLU A 32 107.261 -24.700 9.572 1.00 0.00 C ATOM 465 OE1 GLU A 32 106.321 -24.015 9.195 1.00 0.00 O ATOM 466 OE2 GLU A 32 107.159 -25.569 10.423 1.00 0.00 O ATOM 0 H GLU A 32 109.243 -21.801 5.960 1.00 0.00 H new ATOM 0 HA GLU A 32 110.784 -23.135 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 108.380 -22.393 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 32 107.895 -23.515 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.987 -25.391 8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 32 109.362 -24.250 9.756 1.00 0.00 H new ATOM 473 N ASP A 33 111.039 -25.406 7.050 1.00 0.00 N ATOM 474 CA ASP A 33 111.486 -26.586 6.316 1.00 0.00 C ATOM 475 C ASP A 33 110.325 -27.471 5.859 1.00 0.00 C ATOM 476 O ASP A 33 110.304 -27.918 4.711 1.00 0.00 O ATOM 477 CB ASP A 33 112.429 -27.410 7.193 1.00 0.00 C ATOM 478 CG ASP A 33 113.036 -28.548 6.381 1.00 0.00 C ATOM 479 OD1 ASP A 33 114.019 -28.307 5.699 1.00 0.00 O ATOM 480 OD2 ASP A 33 112.509 -29.647 6.451 1.00 0.00 O ATOM 0 H ASP A 33 111.327 -25.382 8.028 1.00 0.00 H new ATOM 0 HA ASP A 33 112.001 -26.231 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 33 113.220 -26.773 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 33 111.885 -27.812 8.048 1.00 0.00 H new ATOM 485 N ASN A 34 109.363 -27.726 6.744 1.00 0.00 N ATOM 486 CA ASN A 34 108.281 -28.666 6.426 1.00 0.00 C ATOM 487 C ASN A 34 106.956 -27.978 6.080 1.00 0.00 C ATOM 488 O ASN A 34 106.046 -28.625 5.561 1.00 0.00 O ATOM 489 CB ASN A 34 108.056 -29.598 7.619 1.00 0.00 C ATOM 490 CG ASN A 34 107.250 -30.817 7.185 1.00 0.00 C ATOM 491 OD1 ASN A 34 107.696 -31.585 6.332 1.00 0.00 O ATOM 492 ND2 ASN A 34 106.084 -31.043 7.724 1.00 0.00 N ATOM 0 H ASN A 34 109.307 -27.305 7.672 1.00 0.00 H new ATOM 0 HA ASN A 34 108.597 -29.218 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 34 109.015 -29.914 8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 34 107.529 -29.067 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 34 105.540 -31.857 7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 34 105.717 -30.406 8.430 1.00 0.00 H new ATOM 499 N SER A 35 106.837 -26.682 6.357 1.00 0.00 N ATOM 500 CA SER A 35 105.633 -25.938 6.004 1.00 0.00 C ATOM 501 C SER A 35 106.006 -24.494 5.658 1.00 0.00 C ATOM 502 O SER A 35 105.733 -23.577 6.438 1.00 0.00 O ATOM 503 CB SER A 35 104.634 -25.981 7.164 1.00 0.00 C ATOM 504 OG SER A 35 103.518 -25.158 6.850 1.00 0.00 O ATOM 0 H SER A 35 107.556 -26.128 6.822 1.00 0.00 H new ATOM 0 HA SER A 35 105.163 -26.394 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 35 104.307 -27.006 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 35 105.109 -25.635 8.082 1.00 0.00 H new ATOM 0 HG SER A 35 102.875 -25.183 7.589 1.00 0.00 H new ATOM 510 N PRO A 36 106.608 -24.261 4.511 1.00 0.00 N ATOM 511 CA PRO A 36 107.201 -22.924 4.214 1.00 0.00 C ATOM 512 C PRO A 36 106.153 -21.843 3.963 1.00 0.00 C ATOM 513 O PRO A 36 105.181 -22.046 3.235 1.00 0.00 O ATOM 514 CB PRO A 36 108.045 -23.162 2.960 1.00 0.00 C ATOM 515 CG PRO A 36 107.409 -24.322 2.273 1.00 0.00 C ATOM 516 CD PRO A 36 106.782 -25.185 3.368 1.00 0.00 C ATOM 0 HA PRO A 36 107.776 -22.553 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 36 108.053 -22.281 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 36 109.082 -23.378 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.653 -23.986 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 36 108.147 -24.890 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 36 105.828 -25.603 3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 36 107.426 -26.024 3.630 1.00 0.00 H new ATOM 524 N LEU A 37 106.381 -20.694 4.586 1.00 0.00 N ATOM 525 CA LEU A 37 105.603 -19.490 4.323 1.00 0.00 C ATOM 526 C LEU A 37 106.575 -18.372 3.975 1.00 0.00 C ATOM 527 O LEU A 37 107.586 -18.214 4.664 1.00 0.00 O ATOM 528 CB LEU A 37 104.787 -19.106 5.559 1.00 0.00 C ATOM 529 CG LEU A 37 103.895 -17.906 5.236 1.00 0.00 C ATOM 530 CD1 LEU A 37 102.720 -18.360 4.368 1.00 0.00 C ATOM 531 CD2 LEU A 37 103.366 -17.301 6.537 1.00 0.00 C ATOM 0 H LEU A 37 107.111 -20.570 5.288 1.00 0.00 H new ATOM 0 HA LEU A 37 104.910 -19.663 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 37 104.176 -19.950 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 105.454 -18.863 6.386 1.00 0.00 H new ATOM 0 HG LEU A 37 104.475 -17.157 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.085 -17.504 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 103.098 -18.791 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 37 102.139 -19.109 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.730 -16.446 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 37 102.787 -18.050 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 104.204 -16.976 7.154 1.00 0.00 H new ATOM 543 N GLY A 38 106.285 -17.595 2.932 1.00 0.00 N ATOM 544 CA GLY A 38 107.243 -16.598 2.480 1.00 0.00 C ATOM 545 C GLY A 38 106.953 -15.263 3.142 1.00 0.00 C ATOM 546 O GLY A 38 105.887 -14.690 2.946 1.00 0.00 O ATOM 0 H GLY A 38 105.417 -17.636 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 38 108.256 -16.920 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 38 107.190 -16.495 1.396 1.00 0.00 H new ATOM 550 N VAL A 39 107.896 -14.776 3.940 1.00 0.00 N ATOM 551 CA VAL A 39 107.749 -13.466 4.561 1.00 0.00 C ATOM 552 C VAL A 39 108.960 -12.614 4.210 1.00 0.00 C ATOM 553 O VAL A 39 110.099 -13.054 4.350 1.00 0.00 O ATOM 554 CB VAL A 39 107.616 -13.628 6.082 1.00 0.00 C ATOM 555 CG1 VAL A 39 108.866 -14.302 6.654 1.00 0.00 C ATOM 556 CG2 VAL A 39 107.433 -12.255 6.738 1.00 0.00 C ATOM 0 H VAL A 39 108.762 -15.263 4.170 1.00 0.00 H new ATOM 0 HA VAL A 39 106.850 -12.973 4.191 1.00 0.00 H new ATOM 0 HB VAL A 39 106.746 -14.251 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 39 108.759 -14.411 7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 39 108.989 -15.285 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 39 109.741 -13.690 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 39 107.339 -12.377 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 39 108.297 -11.628 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 39 106.532 -11.782 6.347 1.00 0.00 H new ATOM 566 N ILE A 40 108.702 -11.398 3.750 1.00 0.00 N ATOM 567 CA ILE A 40 109.780 -10.481 3.398 1.00 0.00 C ATOM 568 C ILE A 40 109.558 -9.142 4.086 1.00 0.00 C ATOM 569 O ILE A 40 108.453 -8.599 4.048 1.00 0.00 O ATOM 570 CB ILE A 40 109.825 -10.286 1.877 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.996 -11.643 1.184 1.00 0.00 C ATOM 572 CG2 ILE A 40 111.006 -9.386 1.500 1.00 0.00 C ATOM 573 CD1 ILE A 40 109.862 -11.468 -0.329 1.00 0.00 C ATOM 0 H ILE A 40 107.763 -11.024 3.612 1.00 0.00 H new ATOM 0 HA ILE A 40 110.730 -10.901 3.729 1.00 0.00 H new ATOM 0 HB ILE A 40 108.892 -9.822 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.971 -12.066 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 40 109.245 -12.345 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.031 -9.252 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 40 110.892 -8.415 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 40 111.936 -9.849 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.984 -12.434 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.877 -11.064 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.630 -10.781 -0.685 1.00 0.00 H new ATOM 585 N GLY A 41 110.602 -8.637 4.734 1.00 0.00 N ATOM 586 CA GLY A 41 110.566 -7.289 5.291 1.00 0.00 C ATOM 587 C GLY A 41 111.638 -6.438 4.623 1.00 0.00 C ATOM 588 O GLY A 41 112.793 -6.852 4.537 1.00 0.00 O ATOM 0 H GLY A 41 111.478 -9.136 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 109.583 -6.845 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 41 110.732 -7.324 6.368 1.00 0.00 H new ATOM 592 N SER A 42 111.241 -5.263 4.143 1.00 0.00 N ATOM 593 CA SER A 42 112.155 -4.379 3.425 1.00 0.00 C ATOM 594 C SER A 42 112.128 -2.975 4.018 1.00 0.00 C ATOM 595 O SER A 42 111.056 -2.454 4.330 1.00 0.00 O ATOM 596 CB SER A 42 111.758 -4.312 1.951 1.00 0.00 C ATOM 597 OG SER A 42 112.837 -3.773 1.200 1.00 0.00 O ATOM 0 H SER A 42 110.292 -4.901 4.238 1.00 0.00 H new ATOM 0 HA SER A 42 113.164 -4.781 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.506 -5.307 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.869 -3.693 1.829 1.00 0.00 H new ATOM 0 HG SER A 42 112.502 -3.434 0.344 1.00 0.00 H new ATOM 603 N PHE A 43 113.298 -2.357 4.174 1.00 0.00 N ATOM 604 CA PHE A 43 113.358 -0.962 4.610 1.00 0.00 C ATOM 605 C PHE A 43 114.066 -0.128 3.551 1.00 0.00 C ATOM 606 O PHE A 43 115.142 -0.491 3.074 1.00 0.00 O ATOM 607 CB PHE A 43 114.073 -0.833 5.958 1.00 0.00 C ATOM 608 CG PHE A 43 115.503 -1.318 5.963 1.00 0.00 C ATOM 609 CD1 PHE A 43 115.787 -2.653 6.272 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.544 -0.428 5.675 1.00 0.00 C ATOM 611 CE1 PHE A 43 117.114 -3.099 6.295 1.00 0.00 C ATOM 612 CE2 PHE A 43 117.871 -0.874 5.694 1.00 0.00 C ATOM 613 CZ PHE A 43 118.156 -2.210 6.004 1.00 0.00 C ATOM 0 H PHE A 43 114.205 -2.792 4.008 1.00 0.00 H new ATOM 0 HA PHE A 43 112.340 -0.594 4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 43 114.057 0.213 6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.512 -1.392 6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 43 114.983 -3.339 6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.324 0.602 5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 43 117.334 -4.128 6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.675 -0.188 5.470 1.00 0.00 H new ATOM 0 HZ PHE A 43 119.180 -2.554 6.019 1.00 0.00 H new ATOM 623 N THR A 44 113.453 0.994 3.188 1.00 0.00 N ATOM 624 CA THR A 44 113.952 1.818 2.095 1.00 0.00 C ATOM 625 C THR A 44 114.427 3.167 2.616 1.00 0.00 C ATOM 626 O THR A 44 113.746 3.805 3.420 1.00 0.00 O ATOM 627 CB THR A 44 112.833 2.030 1.067 1.00 0.00 C ATOM 628 OG1 THR A 44 112.361 0.767 0.622 1.00 0.00 O ATOM 629 CG2 THR A 44 113.351 2.832 -0.132 1.00 0.00 C ATOM 0 H THR A 44 112.610 1.353 3.636 1.00 0.00 H new ATOM 0 HA THR A 44 114.794 1.309 1.627 1.00 0.00 H new ATOM 0 HB THR A 44 112.022 2.587 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 44 113.069 0.311 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 112.544 2.973 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.709 3.804 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.169 2.290 -0.606 1.00 0.00 H new ATOM 637 N TYR A 45 115.597 3.581 2.141 1.00 0.00 N ATOM 638 CA TYR A 45 116.124 4.906 2.441 1.00 0.00 C ATOM 639 C TYR A 45 116.271 5.683 1.139 1.00 0.00 C ATOM 640 O TYR A 45 116.975 5.241 0.233 1.00 0.00 O ATOM 641 CB TYR A 45 117.484 4.788 3.132 1.00 0.00 C ATOM 642 CG TYR A 45 118.129 6.122 3.427 1.00 0.00 C ATOM 643 CD1 TYR A 45 117.380 7.149 4.013 1.00 0.00 C ATOM 644 CD2 TYR A 45 119.478 6.331 3.115 1.00 0.00 C ATOM 645 CE1 TYR A 45 117.979 8.384 4.287 1.00 0.00 C ATOM 646 CE2 TYR A 45 120.077 7.567 3.389 1.00 0.00 C ATOM 647 CZ TYR A 45 119.327 8.593 3.976 1.00 0.00 C ATOM 648 OH TYR A 45 119.917 9.811 4.247 1.00 0.00 O ATOM 0 H TYR A 45 116.200 3.015 1.544 1.00 0.00 H new ATOM 0 HA TYR A 45 115.440 5.429 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.362 4.238 4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.153 4.202 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 45 116.340 6.988 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 45 120.057 5.539 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.400 9.176 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 45 121.117 7.729 3.148 1.00 0.00 H new ATOM 0 HH TYR A 45 120.857 9.788 3.970 1.00 0.00 H new ATOM 658 N THR A 46 115.590 6.822 1.049 1.00 0.00 N ATOM 659 CA THR A 46 115.584 7.614 -0.178 1.00 0.00 C ATOM 660 C THR A 46 116.022 9.046 0.103 1.00 0.00 C ATOM 661 O THR A 46 115.691 9.609 1.147 1.00 0.00 O ATOM 662 CB THR A 46 114.177 7.615 -0.779 1.00 0.00 C ATOM 663 OG1 THR A 46 113.721 6.276 -0.915 1.00 0.00 O ATOM 664 CG2 THR A 46 114.206 8.285 -2.152 1.00 0.00 C ATOM 0 H THR A 46 115.036 7.217 1.809 1.00 0.00 H new ATOM 0 HA THR A 46 116.286 7.169 -0.884 1.00 0.00 H new ATOM 0 HB THR A 46 113.503 8.165 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.819 6.275 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 46 113.203 8.285 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.556 9.312 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.880 7.737 -2.810 1.00 0.00 H new ATOM 672 N GLU A 47 116.759 9.626 -0.840 1.00 0.00 N ATOM 673 CA GLU A 47 117.285 10.976 -0.674 1.00 0.00 C ATOM 674 C GLU A 47 117.118 11.765 -1.967 1.00 0.00 C ATOM 675 O GLU A 47 117.120 11.189 -3.056 1.00 0.00 O ATOM 676 CB GLU A 47 118.766 10.904 -0.289 1.00 0.00 C ATOM 677 CG GLU A 47 119.278 12.298 0.097 1.00 0.00 C ATOM 678 CD GLU A 47 120.777 12.289 0.417 1.00 0.00 C ATOM 679 OE1 GLU A 47 121.406 11.245 0.314 1.00 0.00 O ATOM 680 OE2 GLU A 47 121.281 13.344 0.766 1.00 0.00 O ATOM 0 H GLU A 47 117.005 9.183 -1.725 1.00 0.00 H new ATOM 0 HA GLU A 47 116.732 11.482 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.900 10.215 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 47 119.348 10.512 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 47 119.085 12.994 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 47 118.724 12.661 0.963 1.00 0.00 H new ATOM 687 N LYS A 48 116.939 13.076 -1.836 1.00 0.00 N ATOM 688 CA LYS A 48 116.829 13.948 -2.998 1.00 0.00 C ATOM 689 C LYS A 48 118.212 14.432 -3.422 1.00 0.00 C ATOM 690 O LYS A 48 119.038 14.782 -2.578 1.00 0.00 O ATOM 691 CB LYS A 48 115.946 15.153 -2.663 1.00 0.00 C ATOM 692 CG LYS A 48 114.525 14.678 -2.352 1.00 0.00 C ATOM 693 CD LYS A 48 113.620 15.889 -2.122 1.00 0.00 C ATOM 694 CE LYS A 48 112.231 15.413 -1.690 1.00 0.00 C ATOM 695 NZ LYS A 48 111.350 16.593 -1.461 1.00 0.00 N ATOM 0 H LYS A 48 116.867 13.556 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 48 116.379 13.387 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.356 15.690 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.932 15.850 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 48 114.143 14.077 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.529 14.041 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 48 114.048 16.537 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.546 16.480 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 48 111.801 14.768 -2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 112.305 14.819 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 110.406 16.270 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 111.758 17.192 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 111.270 17.142 -2.340 1.00 0.00 H new ATOM 709 N SER A 49 118.462 14.453 -4.728 1.00 0.00 N ATOM 710 CA SER A 49 119.762 14.875 -5.243 1.00 0.00 C ATOM 711 C SER A 49 119.661 16.238 -5.920 1.00 0.00 C ATOM 712 O SER A 49 118.758 16.480 -6.721 1.00 0.00 O ATOM 713 CB SER A 49 120.278 13.846 -6.250 1.00 0.00 C ATOM 714 OG SER A 49 121.586 14.216 -6.667 1.00 0.00 O ATOM 0 H SER A 49 117.788 14.185 -5.445 1.00 0.00 H new ATOM 0 HA SER A 49 120.454 14.951 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 49 120.294 12.854 -5.799 1.00 0.00 H new ATOM 0 HB3 SER A 49 119.610 13.794 -7.110 1.00 0.00 H new ATOM 0 HG SER A 49 121.922 13.559 -7.311 1.00 0.00 H new ATOM 720 N ARG A 50 120.598 17.122 -5.591 1.00 0.00 N ATOM 721 CA ARG A 50 120.626 18.457 -6.179 1.00 0.00 C ATOM 722 C ARG A 50 122.049 18.834 -6.577 1.00 0.00 C ATOM 723 O ARG A 50 123.016 18.324 -6.012 1.00 0.00 O ATOM 724 CB ARG A 50 120.087 19.481 -5.176 1.00 0.00 C ATOM 725 CG ARG A 50 118.619 19.176 -4.871 1.00 0.00 C ATOM 726 CD ARG A 50 118.072 20.219 -3.895 1.00 0.00 C ATOM 727 NE ARG A 50 117.973 21.525 -4.553 1.00 0.00 N ATOM 728 CZ ARG A 50 117.313 22.570 -4.029 1.00 0.00 C ATOM 729 NH1 ARG A 50 116.699 22.499 -2.873 1.00 0.00 N ATOM 730 NH2 ARG A 50 117.282 23.693 -4.693 1.00 0.00 N ATOM 0 H ARG A 50 121.346 16.939 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 50 119.998 18.456 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 50 120.674 19.450 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 50 120.183 20.488 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 50 118.036 19.184 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 50 118.525 18.178 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 50 117.091 19.910 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 50 118.724 20.291 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 50 118.430 21.646 -5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 50 116.713 21.629 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 50 116.207 23.314 -2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 50 117.754 23.766 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 50 116.785 24.498 -4.311 1.00 0.00 H new ATOM 744 N THR A 51 122.171 19.729 -7.553 1.00 0.00 N ATOM 745 CA THR A 51 123.486 20.177 -7.998 1.00 0.00 C ATOM 746 C THR A 51 124.082 21.152 -6.988 1.00 0.00 C ATOM 747 O THR A 51 123.356 21.899 -6.330 1.00 0.00 O ATOM 748 CB THR A 51 123.377 20.859 -9.364 1.00 0.00 C ATOM 749 OG1 THR A 51 122.564 22.018 -9.249 1.00 0.00 O ATOM 750 CG2 THR A 51 122.757 19.894 -10.377 1.00 0.00 C ATOM 0 H THR A 51 121.385 20.154 -8.046 1.00 0.00 H new ATOM 0 HA THR A 51 124.137 19.307 -8.082 1.00 0.00 H new ATOM 0 HB THR A 51 124.372 21.145 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 51 122.495 22.457 -10.122 1.00 0.00 H new ATOM 0 HG21 THR A 51 122.682 20.384 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 51 123.385 19.007 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 51 121.762 19.602 -10.040 1.00 0.00 H new ATOM 758 N ALA A 52 125.407 21.141 -6.866 1.00 0.00 N ATOM 759 CA ALA A 52 126.086 22.017 -5.917 1.00 0.00 C ATOM 760 C ALA A 52 126.716 23.206 -6.632 1.00 0.00 C ATOM 761 O ALA A 52 127.369 23.050 -7.665 1.00 0.00 O ATOM 762 CB ALA A 52 127.173 21.235 -5.176 1.00 0.00 C ATOM 0 H ALA A 52 126.027 20.540 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 52 125.349 22.388 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 52 127.677 21.894 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 52 126.719 20.403 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 52 127.898 20.851 -5.894 1.00 0.00 H new ATOM 768 N SER A 53 126.519 24.396 -6.072 1.00 0.00 N ATOM 769 CA SER A 53 127.097 25.608 -6.640 1.00 0.00 C ATOM 770 C SER A 53 127.078 26.732 -5.610 1.00 0.00 C ATOM 771 O SER A 53 128.126 27.176 -5.140 1.00 0.00 O ATOM 772 CB SER A 53 126.312 26.037 -7.881 1.00 0.00 C ATOM 773 OG SER A 53 125.987 24.887 -8.651 1.00 0.00 O ATOM 0 H SER A 53 125.965 24.546 -5.228 1.00 0.00 H new ATOM 0 HA SER A 53 128.128 25.400 -6.924 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.403 26.561 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 53 126.903 26.733 -8.477 1.00 0.00 H new ATOM 0 HG SER A 53 126.724 24.243 -8.604 1.00 0.00 H new ATOM 779 N SER A 54 125.878 27.187 -5.264 1.00 0.00 N ATOM 780 CA SER A 54 125.726 28.239 -4.263 1.00 0.00 C ATOM 781 C SER A 54 126.294 27.808 -2.910 1.00 0.00 C ATOM 782 O SER A 54 126.841 28.628 -2.172 1.00 0.00 O ATOM 783 CB SER A 54 124.247 28.590 -4.102 1.00 0.00 C ATOM 784 OG SER A 54 123.712 28.949 -5.370 1.00 0.00 O ATOM 0 H SER A 54 125.001 26.847 -5.659 1.00 0.00 H new ATOM 0 HA SER A 54 126.282 29.111 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 54 123.702 27.740 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 54 124.131 29.414 -3.398 1.00 0.00 H new ATOM 0 HG SER A 54 122.763 29.173 -5.273 1.00 0.00 H new ATOM 790 N GLY A 55 126.164 26.523 -2.589 1.00 0.00 N ATOM 791 CA GLY A 55 126.628 26.010 -1.299 1.00 0.00 C ATOM 792 C GLY A 55 125.490 25.790 -0.291 1.00 0.00 C ATOM 793 O GLY A 55 125.724 25.239 0.786 1.00 0.00 O ATOM 0 H GLY A 55 125.744 25.821 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 55 127.152 25.067 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 55 127.350 26.709 -0.876 1.00 0.00 H new ATOM 797 N ASP A 56 124.269 26.209 -0.623 1.00 0.00 N ATOM 798 CA ASP A 56 123.127 25.999 0.259 1.00 0.00 C ATOM 799 C ASP A 56 122.528 24.616 0.026 1.00 0.00 C ATOM 800 O ASP A 56 122.114 24.290 -1.087 1.00 0.00 O ATOM 801 CB ASP A 56 122.065 27.069 0.003 1.00 0.00 C ATOM 802 CG ASP A 56 120.930 26.929 1.011 1.00 0.00 C ATOM 803 OD1 ASP A 56 121.064 27.455 2.103 1.00 0.00 O ATOM 804 OD2 ASP A 56 119.941 26.297 0.677 1.00 0.00 O ATOM 0 H ASP A 56 124.048 26.694 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 56 123.467 26.069 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 56 122.510 28.061 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 56 121.676 26.972 -1.011 1.00 0.00 H new ATOM 809 N TYR A 57 122.483 23.805 1.080 1.00 0.00 N ATOM 810 CA TYR A 57 121.964 22.444 0.970 1.00 0.00 C ATOM 811 C TYR A 57 120.644 22.305 1.724 1.00 0.00 C ATOM 812 O TYR A 57 120.507 22.781 2.851 1.00 0.00 O ATOM 813 CB TYR A 57 122.980 21.456 1.545 1.00 0.00 C ATOM 814 CG TYR A 57 124.326 21.510 0.862 1.00 0.00 C ATOM 815 CD1 TYR A 57 124.527 20.828 -0.344 1.00 0.00 C ATOM 816 CD2 TYR A 57 125.372 22.242 1.436 1.00 0.00 C ATOM 817 CE1 TYR A 57 125.776 20.878 -0.976 1.00 0.00 C ATOM 818 CE2 TYR A 57 126.620 22.292 0.804 1.00 0.00 C ATOM 819 CZ TYR A 57 126.823 21.610 -0.402 1.00 0.00 C ATOM 820 OH TYR A 57 128.053 21.660 -1.024 1.00 0.00 O ATOM 0 H TYR A 57 122.798 24.064 2.015 1.00 0.00 H new ATOM 0 HA TYR A 57 121.791 22.227 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 57 123.112 21.660 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 57 122.580 20.446 1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 57 123.720 20.264 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 57 125.216 22.768 2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 57 125.932 20.352 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 57 127.427 22.857 1.247 1.00 0.00 H new ATOM 0 HH TYR A 57 128.666 22.211 -0.494 1.00 0.00 H new ATOM 830 N ASN A 58 119.677 21.649 1.089 1.00 0.00 N ATOM 831 CA ASN A 58 118.378 21.418 1.712 1.00 0.00 C ATOM 832 C ASN A 58 118.259 19.961 2.146 1.00 0.00 C ATOM 833 O ASN A 58 118.410 19.049 1.332 1.00 0.00 O ATOM 834 CB ASN A 58 117.259 21.752 0.723 1.00 0.00 C ATOM 835 CG ASN A 58 115.927 21.867 1.456 1.00 0.00 C ATOM 836 OD1 ASN A 58 115.759 22.743 2.304 1.00 0.00 O ATOM 837 ND2 ASN A 58 114.967 21.030 1.179 1.00 0.00 N ATOM 0 H ASN A 58 119.768 21.269 0.147 1.00 0.00 H new ATOM 0 HA ASN A 58 118.288 22.061 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 58 117.483 22.688 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 58 117.196 20.978 -0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.073 21.100 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.109 20.305 0.476 1.00 0.00 H new ATOM 844 N LYS A 59 117.990 19.745 3.430 1.00 0.00 N ATOM 845 CA LYS A 59 117.919 18.390 3.964 1.00 0.00 C ATOM 846 C LYS A 59 116.566 17.750 3.667 1.00 0.00 C ATOM 847 O LYS A 59 115.533 18.192 4.169 1.00 0.00 O ATOM 848 CB LYS A 59 118.151 18.414 5.476 1.00 0.00 C ATOM 849 CG LYS A 59 118.441 16.995 5.971 1.00 0.00 C ATOM 850 CD LYS A 59 118.229 16.924 7.485 1.00 0.00 C ATOM 851 CE LYS A 59 119.358 17.669 8.202 1.00 0.00 C ATOM 852 NZ LYS A 59 120.536 16.768 8.343 1.00 0.00 N ATOM 0 H LYS A 59 117.819 20.483 4.114 1.00 0.00 H new ATOM 0 HA LYS A 59 118.695 17.796 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 59 118.986 19.072 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 59 117.273 18.815 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 59 117.786 16.283 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 119.465 16.715 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 59 117.267 17.363 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 118.204 15.884 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 119.634 18.561 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 59 119.022 18.002 9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 121.303 17.274 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 120.268 15.930 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 120.861 16.471 7.401 1.00 0.00 H new ATOM 866 N ASN A 60 116.587 16.704 2.846 1.00 0.00 N ATOM 867 CA ASN A 60 115.378 15.946 2.537 1.00 0.00 C ATOM 868 C ASN A 60 115.623 14.460 2.777 1.00 0.00 C ATOM 869 O ASN A 60 116.615 13.910 2.293 1.00 0.00 O ATOM 870 CB ASN A 60 114.982 16.166 1.075 1.00 0.00 C ATOM 871 CG ASN A 60 114.706 17.645 0.824 1.00 0.00 C ATOM 872 OD1 ASN A 60 115.341 18.259 -0.032 1.00 0.00 O ATOM 873 ND2 ASN A 60 113.785 18.252 1.520 1.00 0.00 N ATOM 0 H ASN A 60 117.428 16.362 2.382 1.00 0.00 H new ATOM 0 HA ASN A 60 114.572 16.290 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 60 115.780 15.820 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 60 114.096 15.577 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 60 113.589 19.239 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 60 113.261 17.739 2.229 1.00 0.00 H new ATOM 880 N GLN A 61 114.728 13.811 3.519 1.00 0.00 N ATOM 881 CA GLN A 61 114.887 12.386 3.799 1.00 0.00 C ATOM 882 C GLN A 61 113.539 11.671 3.831 1.00 0.00 C ATOM 883 O GLN A 61 112.543 12.236 4.280 1.00 0.00 O ATOM 884 CB GLN A 61 115.634 12.198 5.126 1.00 0.00 C ATOM 885 CG GLN A 61 114.798 12.725 6.299 1.00 0.00 C ATOM 886 CD GLN A 61 115.652 12.794 7.560 1.00 0.00 C ATOM 887 OE1 GLN A 61 116.812 13.203 7.504 1.00 0.00 O ATOM 888 NE2 GLN A 61 115.144 12.417 8.702 1.00 0.00 N ATOM 0 H GLN A 61 113.899 14.240 3.931 1.00 0.00 H new ATOM 0 HA GLN A 61 115.472 11.941 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.856 11.142 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 61 116.589 12.723 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 61 114.406 13.714 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 61 113.940 12.074 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 61 114.183 12.079 8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 61 115.708 12.461 9.551 1.00 0.00 H new ATOM 897 N TYR A 62 113.519 10.432 3.345 1.00 0.00 N ATOM 898 CA TYR A 62 112.305 9.623 3.380 1.00 0.00 C ATOM 899 C TYR A 62 112.632 8.190 3.791 1.00 0.00 C ATOM 900 O TYR A 62 113.572 7.592 3.270 1.00 0.00 O ATOM 901 CB TYR A 62 111.655 9.631 1.995 1.00 0.00 C ATOM 902 CG TYR A 62 110.302 8.960 1.948 1.00 0.00 C ATOM 903 CD1 TYR A 62 109.153 9.684 2.285 1.00 0.00 C ATOM 904 CD2 TYR A 62 110.196 7.621 1.556 1.00 0.00 C ATOM 905 CE1 TYR A 62 107.897 9.069 2.232 1.00 0.00 C ATOM 906 CE2 TYR A 62 108.940 7.004 1.505 1.00 0.00 C ATOM 907 CZ TYR A 62 107.791 7.728 1.842 1.00 0.00 C ATOM 908 OH TYR A 62 106.552 7.121 1.790 1.00 0.00 O ATOM 0 H TYR A 62 114.325 9.969 2.925 1.00 0.00 H new ATOM 0 HA TYR A 62 111.616 10.044 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 62 111.549 10.663 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.321 9.134 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 62 109.235 10.718 2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.083 7.063 1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 62 107.010 9.628 2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 62 108.858 5.970 1.206 1.00 0.00 H new ATOM 0 HH TYR A 62 106.655 6.191 1.500 1.00 0.00 H new ATOM 918 N TYR A 63 111.856 7.645 4.726 1.00 0.00 N ATOM 919 CA TYR A 63 112.057 6.271 5.179 1.00 0.00 C ATOM 920 C TYR A 63 110.742 5.507 5.075 1.00 0.00 C ATOM 921 O TYR A 63 109.700 6.045 5.434 1.00 0.00 O ATOM 922 CB TYR A 63 112.533 6.260 6.633 1.00 0.00 C ATOM 923 CG TYR A 63 113.802 7.048 6.863 1.00 0.00 C ATOM 924 CD1 TYR A 63 115.049 6.429 6.717 1.00 0.00 C ATOM 925 CD2 TYR A 63 113.729 8.398 7.225 1.00 0.00 C ATOM 926 CE1 TYR A 63 116.223 7.160 6.934 1.00 0.00 C ATOM 927 CE2 TYR A 63 114.903 9.129 7.442 1.00 0.00 C ATOM 928 CZ TYR A 63 116.150 8.510 7.296 1.00 0.00 C ATOM 929 OH TYR A 63 117.307 9.231 7.510 1.00 0.00 O ATOM 0 H TYR A 63 111.085 8.132 5.183 1.00 0.00 H new ATOM 0 HA TYR A 63 112.812 5.797 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 63 111.744 6.665 7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 63 112.695 5.228 6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 63 115.105 5.387 6.437 1.00 0.00 H new ATOM 0 HD2 TYR A 63 112.767 8.876 7.337 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.185 6.682 6.822 1.00 0.00 H new ATOM 0 HE2 TYR A 63 114.847 10.171 7.722 1.00 0.00 H new ATOM 0 HH TYR A 63 117.852 9.224 6.696 1.00 0.00 H new ATOM 939 N GLY A 64 110.789 4.268 4.593 1.00 0.00 N ATOM 940 CA GLY A 64 109.562 3.494 4.399 1.00 0.00 C ATOM 941 C GLY A 64 109.749 2.033 4.797 1.00 0.00 C ATOM 942 O GLY A 64 110.773 1.432 4.485 1.00 0.00 O ATOM 0 H GLY A 64 111.648 3.783 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 64 108.758 3.932 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 64 109.257 3.551 3.354 1.00 0.00 H new ATOM 946 N ILE A 65 108.762 1.468 5.494 1.00 0.00 N ATOM 947 CA ILE A 65 108.828 0.065 5.905 1.00 0.00 C ATOM 948 C ILE A 65 107.716 -0.734 5.232 1.00 0.00 C ATOM 949 O ILE A 65 106.586 -0.258 5.117 1.00 0.00 O ATOM 950 CB ILE A 65 108.718 -0.040 7.430 1.00 0.00 C ATOM 951 CG1 ILE A 65 107.377 0.531 7.907 1.00 0.00 C ATOM 952 CG2 ILE A 65 109.865 0.748 8.071 1.00 0.00 C ATOM 953 CD1 ILE A 65 107.225 0.309 9.415 1.00 0.00 C ATOM 0 H ILE A 65 107.914 1.955 5.784 1.00 0.00 H new ATOM 0 HA ILE A 65 109.787 -0.351 5.595 1.00 0.00 H new ATOM 0 HB ILE A 65 108.777 -1.089 7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 65 107.323 1.596 7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 65 106.557 0.050 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 65 109.793 0.678 9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 65 110.819 0.334 7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 65 109.801 1.794 7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 65 106.271 0.717 9.748 1.00 0.00 H new ATOM 0 HD12 ILE A 65 107.259 -0.759 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 65 108.037 0.811 9.940 1.00 0.00 H new ATOM 965 N THR A 66 108.058 -1.927 4.748 1.00 0.00 N ATOM 966 CA THR A 66 107.091 -2.773 4.049 1.00 0.00 C ATOM 967 C THR A 66 107.157 -4.215 4.544 1.00 0.00 C ATOM 968 O THR A 66 108.144 -4.635 5.149 1.00 0.00 O ATOM 969 CB THR A 66 107.370 -2.761 2.542 1.00 0.00 C ATOM 970 OG1 THR A 66 108.668 -3.285 2.302 1.00 0.00 O ATOM 971 CG2 THR A 66 107.283 -1.336 1.990 1.00 0.00 C ATOM 0 H THR A 66 108.992 -2.328 4.826 1.00 0.00 H new ATOM 0 HA THR A 66 106.098 -2.371 4.252 1.00 0.00 H new ATOM 0 HB THR A 66 106.622 -3.375 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.850 -3.280 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.484 -1.348 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 66 106.284 -0.937 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 66 108.019 -0.706 2.490 1.00 0.00 H new ATOM 979 N ALA A 67 106.092 -4.966 4.278 1.00 0.00 N ATOM 980 CA ALA A 67 106.066 -6.397 4.563 1.00 0.00 C ATOM 981 C ALA A 67 105.105 -7.086 3.600 1.00 0.00 C ATOM 982 O ALA A 67 104.102 -6.490 3.203 1.00 0.00 O ATOM 983 CB ALA A 67 105.619 -6.641 6.006 1.00 0.00 C ATOM 0 H ALA A 67 105.232 -4.605 3.864 1.00 0.00 H new ATOM 0 HA ALA A 67 107.068 -6.806 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.604 -7.712 6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 67 106.315 -6.154 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 67 104.620 -6.231 6.152 1.00 0.00 H new ATOM 989 N GLY A 68 105.417 -8.323 3.203 1.00 0.00 N ATOM 990 CA GLY A 68 104.567 -9.025 2.244 1.00 0.00 C ATOM 991 C GLY A 68 104.617 -10.552 2.411 1.00 0.00 C ATOM 992 O GLY A 68 105.682 -11.087 2.724 1.00 0.00 O ATOM 0 H GLY A 68 106.232 -8.847 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.538 -8.685 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.877 -8.764 1.232 1.00 0.00 H new ATOM 996 N PRO A 69 103.517 -11.266 2.247 1.00 0.00 N ATOM 997 CA PRO A 69 103.554 -12.756 2.130 1.00 0.00 C ATOM 998 C PRO A 69 104.058 -13.199 0.752 1.00 0.00 C ATOM 999 O PRO A 69 104.037 -12.404 -0.192 1.00 0.00 O ATOM 1000 CB PRO A 69 102.104 -13.214 2.369 1.00 0.00 C ATOM 1001 CG PRO A 69 101.314 -11.988 2.683 1.00 0.00 C ATOM 1002 CD PRO A 69 102.123 -10.797 2.181 1.00 0.00 C ATOM 0 HA PRO A 69 104.243 -13.199 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.706 -13.716 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.054 -13.928 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.338 -12.023 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.135 -11.908 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.841 -10.522 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 69 101.967 -9.916 2.804 1.00 0.00 H new ATOM 1010 N ALA A 70 104.469 -14.467 0.621 1.00 0.00 N ATOM 1011 CA ALA A 70 104.915 -14.976 -0.677 1.00 0.00 C ATOM 1012 C ALA A 70 104.402 -16.399 -0.899 1.00 0.00 C ATOM 1013 O ALA A 70 104.308 -17.188 0.041 1.00 0.00 O ATOM 1014 CB ALA A 70 106.446 -14.941 -0.761 1.00 0.00 C ATOM 0 H ALA A 70 104.501 -15.145 1.382 1.00 0.00 H new ATOM 0 HA ALA A 70 104.507 -14.337 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.766 -15.322 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 70 106.794 -13.915 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 70 106.868 -15.561 0.030 1.00 0.00 H new ATOM 1020 N TYR A 71 104.072 -16.719 -2.149 1.00 0.00 N ATOM 1021 CA TYR A 71 103.517 -18.026 -2.486 1.00 0.00 C ATOM 1022 C TYR A 71 104.385 -18.727 -3.525 1.00 0.00 C ATOM 1023 O TYR A 71 104.755 -18.126 -4.533 1.00 0.00 O ATOM 1024 CB TYR A 71 102.098 -17.864 -3.031 1.00 0.00 C ATOM 1025 CG TYR A 71 101.143 -17.237 -2.042 1.00 0.00 C ATOM 1026 CD1 TYR A 71 100.988 -15.845 -2.005 1.00 0.00 C ATOM 1027 CD2 TYR A 71 100.413 -18.046 -1.165 1.00 0.00 C ATOM 1028 CE1 TYR A 71 100.103 -15.265 -1.088 1.00 0.00 C ATOM 1029 CE2 TYR A 71 99.528 -17.465 -0.248 1.00 0.00 C ATOM 1030 CZ TYR A 71 99.373 -16.075 -0.210 1.00 0.00 C ATOM 1031 OH TYR A 71 98.499 -15.502 0.692 1.00 0.00 O ATOM 0 H TYR A 71 104.180 -16.090 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 71 103.493 -18.633 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 71 102.131 -17.251 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 71 101.716 -18.842 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 71 101.550 -15.220 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 71 100.532 -19.119 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 71 99.983 -14.192 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 71 98.965 -18.090 0.430 1.00 0.00 H new ATOM 0 HH TYR A 71 98.072 -16.205 1.226 1.00 0.00 H new ATOM 1041 N ARG A 72 104.737 -19.981 -3.254 1.00 0.00 N ATOM 1042 CA ARG A 72 105.454 -20.799 -4.228 1.00 0.00 C ATOM 1043 C ARG A 72 104.573 -21.961 -4.678 1.00 0.00 C ATOM 1044 O ARG A 72 104.327 -22.892 -3.911 1.00 0.00 O ATOM 1045 CB ARG A 72 106.743 -21.343 -3.605 1.00 0.00 C ATOM 1046 CG ARG A 72 107.552 -22.086 -4.671 1.00 0.00 C ATOM 1047 CD ARG A 72 108.783 -22.724 -4.025 1.00 0.00 C ATOM 1048 NE ARG A 72 109.637 -21.691 -3.431 1.00 0.00 N ATOM 1049 CZ ARG A 72 110.900 -21.912 -3.034 1.00 0.00 C ATOM 1050 NH1 ARG A 72 111.473 -23.086 -3.150 1.00 0.00 N ATOM 1051 NH2 ARG A 72 111.579 -20.926 -2.517 1.00 0.00 N ATOM 0 H ARG A 72 104.538 -20.452 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 72 105.705 -20.183 -5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.332 -20.525 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 72 106.505 -22.015 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.936 -22.853 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 72 107.857 -21.396 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 72 108.473 -23.435 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 72 109.345 -23.285 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 72 109.251 -20.754 -3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 72 110.957 -23.868 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 72 112.435 -23.217 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 72 111.149 -20.006 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 72 112.540 -21.075 -2.209 1.00 0.00 H new ATOM 1065 N ILE A 73 104.100 -21.906 -5.920 1.00 0.00 N ATOM 1066 CA ILE A 73 103.227 -22.952 -6.448 1.00 0.00 C ATOM 1067 C ILE A 73 103.716 -23.425 -7.816 1.00 0.00 C ATOM 1068 O ILE A 73 104.004 -22.613 -8.694 1.00 0.00 O ATOM 1069 CB ILE A 73 101.790 -22.420 -6.541 1.00 0.00 C ATOM 1070 CG1 ILE A 73 100.851 -23.529 -7.027 1.00 0.00 C ATOM 1071 CG2 ILE A 73 101.727 -21.237 -7.510 1.00 0.00 C ATOM 1072 CD1 ILE A 73 100.744 -24.616 -5.956 1.00 0.00 C ATOM 0 H ILE A 73 104.305 -21.153 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 73 103.248 -23.807 -5.773 1.00 0.00 H new ATOM 0 HB ILE A 73 101.476 -22.089 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 73 99.865 -23.117 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 73 101.227 -23.956 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.703 -20.868 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 73 102.380 -20.440 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.053 -21.559 -8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 73 100.076 -25.404 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 73 101.731 -25.036 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 73 100.348 -24.184 -5.037 1.00 0.00 H new ATOM 1084 N ASN A 74 103.777 -24.744 -7.986 1.00 0.00 N ATOM 1085 CA ASN A 74 104.184 -25.349 -9.253 1.00 0.00 C ATOM 1086 C ASN A 74 105.605 -24.926 -9.649 1.00 0.00 C ATOM 1087 O ASN A 74 106.561 -25.646 -9.366 1.00 0.00 O ATOM 1088 CB ASN A 74 103.166 -24.998 -10.346 1.00 0.00 C ATOM 1089 CG ASN A 74 101.803 -25.600 -10.015 1.00 0.00 C ATOM 1090 OD1 ASN A 74 101.713 -26.563 -9.251 1.00 0.00 O ATOM 1091 ND2 ASN A 74 100.728 -25.087 -10.547 1.00 0.00 N ATOM 0 H ASN A 74 103.548 -25.419 -7.256 1.00 0.00 H new ATOM 0 HA ASN A 74 104.203 -26.432 -9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 74 103.080 -23.915 -10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 74 103.512 -25.373 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 74 99.813 -25.483 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 74 100.802 -24.290 -11.179 1.00 0.00 H new ATOM 1098 N ASP A 75 105.754 -23.770 -10.299 1.00 0.00 N ATOM 1099 CA ASP A 75 107.069 -23.297 -10.715 1.00 0.00 C ATOM 1100 C ASP A 75 107.924 -22.940 -9.503 1.00 0.00 C ATOM 1101 O ASP A 75 107.416 -22.451 -8.494 1.00 0.00 O ATOM 1102 CB ASP A 75 106.921 -22.070 -11.617 1.00 0.00 C ATOM 1103 CG ASP A 75 106.184 -22.440 -12.903 1.00 0.00 C ATOM 1104 OD1 ASP A 75 106.334 -23.566 -13.352 1.00 0.00 O ATOM 1105 OD2 ASP A 75 105.478 -21.591 -13.420 1.00 0.00 O ATOM 0 H ASP A 75 104.983 -23.150 -10.546 1.00 0.00 H new ATOM 0 HA ASP A 75 107.562 -24.098 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 75 106.375 -21.287 -11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 75 107.905 -21.667 -11.857 1.00 0.00 H new ATOM 1110 N TRP A 76 109.224 -23.189 -9.614 1.00 0.00 N ATOM 1111 CA TRP A 76 110.149 -22.881 -8.528 1.00 0.00 C ATOM 1112 C TRP A 76 110.051 -21.412 -8.119 1.00 0.00 C ATOM 1113 O TRP A 76 110.165 -21.080 -6.939 1.00 0.00 O ATOM 1114 CB TRP A 76 111.581 -23.191 -8.966 1.00 0.00 C ATOM 1115 CG TRP A 76 111.819 -24.643 -9.236 1.00 0.00 C ATOM 1116 CD1 TRP A 76 111.963 -25.596 -8.288 1.00 0.00 C ATOM 1117 CD2 TRP A 76 111.941 -25.322 -10.520 1.00 0.00 C ATOM 1118 NE1 TRP A 76 112.166 -26.816 -8.906 1.00 0.00 N ATOM 1119 CE2 TRP A 76 112.161 -26.700 -10.281 1.00 0.00 C ATOM 1120 CE3 TRP A 76 111.883 -24.882 -11.854 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 112.318 -27.609 -11.331 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 112.039 -25.791 -12.911 1.00 0.00 C ATOM 1123 CH2 TRP A 76 112.256 -27.151 -12.651 1.00 0.00 C ATOM 0 H TRP A 76 109.660 -23.601 -10.439 1.00 0.00 H new ATOM 0 HA TRP A 76 109.881 -23.497 -7.670 1.00 0.00 H new ATOM 0 HB2 TRP A 76 111.810 -22.620 -9.866 1.00 0.00 H new ATOM 0 HB3 TRP A 76 112.271 -22.855 -8.191 1.00 0.00 H new ATOM 0 HD1 TRP A 76 111.926 -25.431 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 76 112.303 -27.695 -8.406 1.00 0.00 H new ATOM 0 HE3 TRP A 76 111.717 -23.836 -12.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 112.486 -28.656 -11.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 111.992 -25.441 -13.931 1.00 0.00 H new ATOM 0 HH2 TRP A 76 112.375 -27.845 -13.470 1.00 0.00 H new ATOM 1134 N ALA A 77 109.839 -20.534 -9.097 1.00 0.00 N ATOM 1135 CA ALA A 77 109.745 -19.106 -8.824 1.00 0.00 C ATOM 1136 C ALA A 77 108.620 -18.815 -7.836 1.00 0.00 C ATOM 1137 O ALA A 77 107.594 -19.495 -7.827 1.00 0.00 O ATOM 1138 CB ALA A 77 109.494 -18.341 -10.124 1.00 0.00 C ATOM 0 H ALA A 77 109.730 -20.786 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 77 110.688 -18.780 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 77 109.425 -17.274 -9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 77 110.317 -18.520 -10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 77 108.561 -18.682 -10.573 1.00 0.00 H new ATOM 1144 N SER A 78 108.824 -17.797 -7.005 1.00 0.00 N ATOM 1145 CA SER A 78 107.831 -17.404 -6.009 1.00 0.00 C ATOM 1146 C SER A 78 107.449 -15.941 -6.208 1.00 0.00 C ATOM 1147 O SER A 78 108.255 -15.145 -6.688 1.00 0.00 O ATOM 1148 CB SER A 78 108.395 -17.601 -4.602 1.00 0.00 C ATOM 1149 OG SER A 78 109.493 -16.718 -4.411 1.00 0.00 O ATOM 0 H SER A 78 109.670 -17.228 -7.001 1.00 0.00 H new ATOM 0 HA SER A 78 106.945 -18.027 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 78 107.623 -17.407 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 78 108.716 -18.634 -4.467 1.00 0.00 H new ATOM 0 HG SER A 78 109.857 -16.839 -3.509 1.00 0.00 H new ATOM 1155 N ILE A 79 106.220 -15.586 -5.838 1.00 0.00 N ATOM 1156 CA ILE A 79 105.747 -14.214 -6.013 1.00 0.00 C ATOM 1157 C ILE A 79 105.256 -13.664 -4.680 1.00 0.00 C ATOM 1158 O ILE A 79 104.806 -14.424 -3.827 1.00 0.00 O ATOM 1159 CB ILE A 79 104.619 -14.180 -7.052 1.00 0.00 C ATOM 1160 CG1 ILE A 79 103.445 -15.047 -6.587 1.00 0.00 C ATOM 1161 CG2 ILE A 79 105.143 -14.716 -8.386 1.00 0.00 C ATOM 1162 CD1 ILE A 79 102.266 -14.869 -7.545 1.00 0.00 C ATOM 0 H ILE A 79 105.540 -16.221 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 79 106.569 -13.592 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 79 104.278 -13.152 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 79 103.744 -16.095 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 79 103.151 -14.767 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 79 104.344 -14.693 -9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 79 105.972 -14.095 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 79 105.488 -15.742 -8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 79 101.431 -15.486 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 79 101.961 -13.823 -7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 102.564 -15.171 -8.549 1.00 0.00 H new ATOM 1174 N TYR A 80 105.337 -12.348 -4.509 1.00 0.00 N ATOM 1175 CA TYR A 80 104.940 -11.739 -3.244 1.00 0.00 C ATOM 1176 C TYR A 80 104.301 -10.375 -3.464 1.00 0.00 C ATOM 1177 O TYR A 80 104.523 -9.733 -4.491 1.00 0.00 O ATOM 1178 CB TYR A 80 106.163 -11.608 -2.331 1.00 0.00 C ATOM 1179 CG TYR A 80 107.190 -10.608 -2.812 1.00 0.00 C ATOM 1180 CD1 TYR A 80 107.106 -9.269 -2.412 1.00 0.00 C ATOM 1181 CD2 TYR A 80 108.225 -11.020 -3.661 1.00 0.00 C ATOM 1182 CE1 TYR A 80 108.056 -8.343 -2.859 1.00 0.00 C ATOM 1183 CE2 TYR A 80 109.175 -10.094 -4.109 1.00 0.00 C ATOM 1184 CZ TYR A 80 109.090 -8.755 -3.707 1.00 0.00 C ATOM 1185 OH TYR A 80 110.026 -7.843 -4.148 1.00 0.00 O ATOM 0 H TYR A 80 105.668 -11.692 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 80 104.198 -12.382 -2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 80 105.829 -11.319 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 80 106.639 -12.584 -2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 80 106.308 -8.950 -1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 80 108.290 -12.053 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 80 107.991 -7.310 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 80 109.973 -10.412 -4.764 1.00 0.00 H new ATOM 0 HH TYR A 80 110.271 -8.047 -5.075 1.00 0.00 H new ATOM 1195 N GLY A 81 103.532 -9.937 -2.474 1.00 0.00 N ATOM 1196 CA GLY A 81 102.942 -8.601 -2.508 1.00 0.00 C ATOM 1197 C GLY A 81 103.151 -7.918 -1.163 1.00 0.00 C ATOM 1198 O GLY A 81 103.086 -8.568 -0.122 1.00 0.00 O ATOM 0 H GLY A 81 103.303 -10.482 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 81 103.399 -8.011 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 81 101.877 -8.668 -2.732 1.00 0.00 H new ATOM 1202 N VAL A 82 103.348 -6.602 -1.181 1.00 0.00 N ATOM 1203 CA VAL A 82 103.732 -5.884 0.031 1.00 0.00 C ATOM 1204 C VAL A 82 102.936 -4.598 0.200 1.00 0.00 C ATOM 1205 O VAL A 82 102.510 -3.980 -0.776 1.00 0.00 O ATOM 1206 CB VAL A 82 105.224 -5.527 -0.010 1.00 0.00 C ATOM 1207 CG1 VAL A 82 106.076 -6.798 -0.014 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.525 -4.709 -1.270 1.00 0.00 C ATOM 0 H VAL A 82 103.250 -6.017 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 82 103.522 -6.545 0.872 1.00 0.00 H new ATOM 0 HB VAL A 82 105.467 -4.940 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 82 107.132 -6.528 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.874 -7.375 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 82 105.830 -7.398 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.585 -4.457 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.269 -5.294 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.935 -3.793 -1.259 1.00 0.00 H new ATOM 1218 N VAL A 83 102.771 -4.208 1.459 1.00 0.00 N ATOM 1219 CA VAL A 83 102.217 -2.904 1.807 1.00 0.00 C ATOM 1220 C VAL A 83 103.199 -2.228 2.757 1.00 0.00 C ATOM 1221 O VAL A 83 103.951 -2.922 3.446 1.00 0.00 O ATOM 1222 CB VAL A 83 100.853 -3.062 2.495 1.00 0.00 C ATOM 1223 CG1 VAL A 83 100.279 -1.682 2.844 1.00 0.00 C ATOM 1224 CG2 VAL A 83 99.873 -3.802 1.572 1.00 0.00 C ATOM 0 H VAL A 83 103.016 -4.784 2.264 1.00 0.00 H new ATOM 0 HA VAL A 83 102.070 -2.306 0.907 1.00 0.00 H new ATOM 0 HB VAL A 83 100.991 -3.641 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 83 99.312 -1.803 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 83 100.962 -1.163 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 83 100.155 -1.098 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 83 98.910 -3.907 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 83 99.743 -3.235 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 100.269 -4.790 1.337 1.00 0.00 H new ATOM 1234 N GLY A 84 103.210 -0.897 2.790 1.00 0.00 N ATOM 1235 CA GLY A 84 104.097 -0.197 3.713 1.00 0.00 C ATOM 1236 C GLY A 84 103.698 1.258 3.903 1.00 0.00 C ATOM 1237 O GLY A 84 102.803 1.766 3.229 1.00 0.00 O ATOM 0 H GLY A 84 102.631 -0.295 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 84 104.087 -0.703 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 84 105.119 -0.245 3.338 1.00 0.00 H new ATOM 1241 N VAL A 85 104.409 1.921 4.806 1.00 0.00 N ATOM 1242 CA VAL A 85 104.140 3.318 5.115 1.00 0.00 C ATOM 1243 C VAL A 85 105.465 4.060 5.251 1.00 0.00 C ATOM 1244 O VAL A 85 106.426 3.516 5.794 1.00 0.00 O ATOM 1245 CB VAL A 85 103.317 3.420 6.405 1.00 0.00 C ATOM 1246 CG1 VAL A 85 104.096 2.817 7.578 1.00 0.00 C ATOM 1247 CG2 VAL A 85 103.004 4.889 6.705 1.00 0.00 C ATOM 0 H VAL A 85 105.178 1.512 5.338 1.00 0.00 H new ATOM 0 HA VAL A 85 103.561 3.773 4.311 1.00 0.00 H new ATOM 0 HB VAL A 85 102.387 2.868 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 85 103.501 2.895 8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 85 104.309 1.768 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 85 105.033 3.358 7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 85 102.419 4.956 7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 85 103.935 5.442 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 85 102.434 5.316 5.879 1.00 0.00 H new ATOM 1257 N GLY A 86 105.525 5.281 4.731 1.00 0.00 N ATOM 1258 CA GLY A 86 106.763 6.054 4.775 1.00 0.00 C ATOM 1259 C GLY A 86 106.513 7.481 5.241 1.00 0.00 C ATOM 1260 O GLY A 86 105.413 8.007 5.084 1.00 0.00 O ATOM 0 H GLY A 86 104.742 5.753 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 86 107.472 5.570 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 86 107.220 6.068 3.785 1.00 0.00 H new ATOM 1264 N TYR A 87 107.548 8.100 5.801 1.00 0.00 N ATOM 1265 CA TYR A 87 107.459 9.482 6.258 1.00 0.00 C ATOM 1266 C TYR A 87 108.607 10.294 5.669 1.00 0.00 C ATOM 1267 O TYR A 87 109.700 9.768 5.461 1.00 0.00 O ATOM 1268 CB TYR A 87 107.494 9.536 7.789 1.00 0.00 C ATOM 1269 CG TYR A 87 108.818 9.126 8.395 1.00 0.00 C ATOM 1270 CD1 TYR A 87 109.809 10.088 8.627 1.00 0.00 C ATOM 1271 CD2 TYR A 87 109.051 7.787 8.726 1.00 0.00 C ATOM 1272 CE1 TYR A 87 111.033 9.709 9.190 1.00 0.00 C ATOM 1273 CE2 TYR A 87 110.276 7.408 9.290 1.00 0.00 C ATOM 1274 CZ TYR A 87 111.267 8.369 9.521 1.00 0.00 C ATOM 1275 OH TYR A 87 112.474 7.996 10.077 1.00 0.00 O ATOM 0 H TYR A 87 108.459 7.665 5.949 1.00 0.00 H new ATOM 0 HA TYR A 87 106.515 9.910 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 87 107.259 10.550 8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 87 106.711 8.887 8.182 1.00 0.00 H new ATOM 0 HD1 TYR A 87 109.629 11.122 8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 87 108.287 7.045 8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 87 111.797 10.451 9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 87 110.456 6.374 9.547 1.00 0.00 H new ATOM 0 HH TYR A 87 113.171 8.013 9.388 1.00 0.00 H new ATOM 1285 N GLY A 88 108.351 11.569 5.396 1.00 0.00 N ATOM 1286 CA GLY A 88 109.366 12.436 4.805 1.00 0.00 C ATOM 1287 C GLY A 88 109.445 13.779 5.522 1.00 0.00 C ATOM 1288 O GLY A 88 108.443 14.286 6.036 1.00 0.00 O ATOM 0 H GLY A 88 107.455 12.024 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 88 110.337 11.942 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 88 109.138 12.598 3.752 1.00 0.00 H new ATOM 1292 N LYS A 89 110.655 14.336 5.534 1.00 0.00 N ATOM 1293 CA LYS A 89 110.908 15.640 6.135 1.00 0.00 C ATOM 1294 C LYS A 89 111.665 16.523 5.150 1.00 0.00 C ATOM 1295 O LYS A 89 112.555 16.047 4.446 1.00 0.00 O ATOM 1296 CB LYS A 89 111.750 15.480 7.405 1.00 0.00 C ATOM 1297 CG LYS A 89 111.051 14.542 8.390 1.00 0.00 C ATOM 1298 CD LYS A 89 109.748 15.181 8.870 1.00 0.00 C ATOM 1299 CE LYS A 89 109.150 14.343 10.001 1.00 0.00 C ATOM 1300 NZ LYS A 89 110.137 14.215 11.110 1.00 0.00 N ATOM 0 H LYS A 89 111.482 13.897 5.129 1.00 0.00 H new ATOM 0 HA LYS A 89 109.952 16.099 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 89 112.733 15.084 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 89 111.909 16.453 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 89 110.844 13.585 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 89 111.703 14.339 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 89 109.936 16.197 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 89 109.041 15.252 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 89 108.236 14.810 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 89 108.877 13.355 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 109.633 14.073 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 110.759 13.401 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 110.709 15.082 11.167 1.00 0.00 H new ATOM 1314 N PHE A 90 111.309 17.804 5.112 1.00 0.00 N ATOM 1315 CA PHE A 90 111.983 18.753 4.232 1.00 0.00 C ATOM 1316 C PHE A 90 112.095 20.117 4.908 1.00 0.00 C ATOM 1317 O PHE A 90 111.311 20.442 5.799 1.00 0.00 O ATOM 1318 CB PHE A 90 111.206 18.890 2.922 1.00 0.00 C ATOM 1319 CG PHE A 90 109.819 19.460 3.100 1.00 0.00 C ATOM 1320 CD1 PHE A 90 108.752 18.615 3.426 1.00 0.00 C ATOM 1321 CD2 PHE A 90 109.602 20.834 2.941 1.00 0.00 C ATOM 1322 CE1 PHE A 90 107.466 19.143 3.592 1.00 0.00 C ATOM 1323 CE2 PHE A 90 108.315 21.362 3.108 1.00 0.00 C ATOM 1324 CZ PHE A 90 107.248 20.517 3.433 1.00 0.00 C ATOM 0 H PHE A 90 110.562 18.207 5.677 1.00 0.00 H new ATOM 0 HA PHE A 90 112.985 18.381 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 90 111.768 19.529 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 90 111.130 17.910 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 90 108.921 17.555 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 90 110.426 21.486 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 90 106.642 18.491 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 90 108.146 22.422 2.986 1.00 0.00 H new ATOM 0 HZ PHE A 90 106.256 20.925 3.561 1.00 0.00 H new ATOM 1334 N GLN A 91 113.072 20.915 4.481 1.00 0.00 N ATOM 1335 CA GLN A 91 113.264 22.245 5.052 1.00 0.00 C ATOM 1336 C GLN A 91 112.823 23.324 4.066 1.00 0.00 C ATOM 1337 O GLN A 91 113.354 23.429 2.961 1.00 0.00 O ATOM 1338 CB GLN A 91 114.738 22.449 5.404 1.00 0.00 C ATOM 1339 CG GLN A 91 115.143 21.465 6.503 1.00 0.00 C ATOM 1340 CD GLN A 91 116.634 21.587 6.813 1.00 0.00 C ATOM 1341 OE1 GLN A 91 117.399 22.135 6.018 1.00 0.00 O ATOM 1342 NE2 GLN A 91 117.096 21.102 7.933 1.00 0.00 N ATOM 0 H GLN A 91 113.737 20.666 3.748 1.00 0.00 H new ATOM 0 HA GLN A 91 112.656 22.324 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 91 115.358 22.298 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 91 114.904 23.473 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 91 114.562 21.659 7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 91 114.914 20.447 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 91 116.463 20.648 8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 91 118.090 21.177 8.150 1.00 0.00 H new ATOM 1351 N THR A 92 111.846 24.124 4.482 1.00 0.00 N ATOM 1352 CA THR A 92 111.357 25.226 3.660 1.00 0.00 C ATOM 1353 C THR A 92 110.965 26.402 4.549 1.00 0.00 C ATOM 1354 O THR A 92 110.667 26.213 5.730 1.00 0.00 O ATOM 1355 CB THR A 92 110.148 24.773 2.839 1.00 0.00 C ATOM 1356 OG1 THR A 92 110.493 23.617 2.090 1.00 0.00 O ATOM 1357 CG2 THR A 92 109.724 25.893 1.887 1.00 0.00 C ATOM 0 H THR A 92 111.377 24.030 5.383 1.00 0.00 H new ATOM 0 HA THR A 92 112.150 25.538 2.981 1.00 0.00 H new ATOM 0 HB THR A 92 109.321 24.539 3.510 1.00 0.00 H new ATOM 0 HG1 THR A 92 109.835 22.911 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 92 108.863 25.568 1.303 1.00 0.00 H new ATOM 0 HG22 THR A 92 109.458 26.779 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 92 110.549 26.131 1.215 1.00 0.00 H new ATOM 1365 N THR A 93 110.965 27.610 3.989 1.00 0.00 N ATOM 1366 CA THR A 93 110.542 28.782 4.751 1.00 0.00 C ATOM 1367 C THR A 93 109.095 29.128 4.415 1.00 0.00 C ATOM 1368 O THR A 93 108.763 29.375 3.256 1.00 0.00 O ATOM 1369 CB THR A 93 111.444 29.973 4.423 1.00 0.00 C ATOM 1370 OG1 THR A 93 112.800 29.608 4.635 1.00 0.00 O ATOM 1371 CG2 THR A 93 111.083 31.153 5.328 1.00 0.00 C ATOM 0 H THR A 93 111.248 27.801 3.028 1.00 0.00 H new ATOM 0 HA THR A 93 110.619 28.556 5.815 1.00 0.00 H new ATOM 0 HB THR A 93 111.303 30.262 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 93 113.380 30.369 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 93 111.726 32.001 5.094 1.00 0.00 H new ATOM 0 HG22 THR A 93 110.042 31.431 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 93 111.224 30.868 6.371 1.00 0.00 H new ATOM 1379 N GLU A 94 108.273 29.215 5.458 1.00 0.00 N ATOM 1380 CA GLU A 94 106.831 29.417 5.316 1.00 0.00 C ATOM 1381 C GLU A 94 106.186 29.319 6.694 1.00 0.00 C ATOM 1382 O GLU A 94 106.683 28.587 7.551 1.00 0.00 O ATOM 1383 CB GLU A 94 106.219 28.344 4.405 1.00 0.00 C ATOM 1384 CG GLU A 94 104.754 28.686 4.099 1.00 0.00 C ATOM 1385 CD GLU A 94 104.079 27.603 3.250 1.00 0.00 C ATOM 1386 OE1 GLU A 94 104.712 26.605 2.935 1.00 0.00 O ATOM 1387 OE2 GLU A 94 102.919 27.791 2.921 1.00 0.00 O ATOM 0 H GLU A 94 108.587 29.148 6.426 1.00 0.00 H new ATOM 0 HA GLU A 94 106.653 30.397 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 94 106.787 28.277 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 94 106.280 27.368 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 94 104.207 28.808 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 94 104.706 29.640 3.575 1.00 0.00 H new ATOM 1394 N TYR A 95 105.091 30.047 6.912 1.00 0.00 N ATOM 1395 CA TYR A 95 104.363 29.918 8.170 1.00 0.00 C ATOM 1396 C TYR A 95 103.470 28.672 8.086 1.00 0.00 C ATOM 1397 O TYR A 95 102.541 28.661 7.275 1.00 0.00 O ATOM 1398 CB TYR A 95 103.494 31.160 8.389 1.00 0.00 C ATOM 1399 CG TYR A 95 103.224 31.454 9.847 1.00 0.00 C ATOM 1400 CD1 TYR A 95 104.192 32.107 10.618 1.00 0.00 C ATOM 1401 CD2 TYR A 95 102.006 31.075 10.424 1.00 0.00 C ATOM 1402 CE1 TYR A 95 103.942 32.381 11.969 1.00 0.00 C ATOM 1403 CE2 TYR A 95 101.757 31.349 11.774 1.00 0.00 C ATOM 1404 CZ TYR A 95 102.725 32.001 12.546 1.00 0.00 C ATOM 1405 OH TYR A 95 102.479 32.271 13.877 1.00 0.00 O ATOM 0 H TYR A 95 104.697 30.716 6.251 1.00 0.00 H new ATOM 0 HA TYR A 95 105.062 29.824 9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 95 103.985 32.022 7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 95 102.544 31.026 7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 95 105.131 32.400 10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 95 101.259 30.572 9.828 1.00 0.00 H new ATOM 0 HE1 TYR A 95 104.688 32.885 12.565 1.00 0.00 H new ATOM 0 HE2 TYR A 95 100.818 31.057 12.220 1.00 0.00 H new ATOM 0 HH TYR A 95 101.588 31.942 14.118 1.00 0.00 H new ATOM 1415 N PRO A 96 103.696 27.639 8.877 1.00 0.00 N ATOM 1416 CA PRO A 96 102.971 26.346 8.683 1.00 0.00 C ATOM 1417 C PRO A 96 101.516 26.386 9.140 1.00 0.00 C ATOM 1418 O PRO A 96 101.205 26.894 10.217 1.00 0.00 O ATOM 1419 CB PRO A 96 103.770 25.347 9.521 1.00 0.00 C ATOM 1420 CG PRO A 96 104.368 26.157 10.618 1.00 0.00 C ATOM 1421 CD PRO A 96 104.591 27.559 10.051 1.00 0.00 C ATOM 0 HA PRO A 96 102.913 26.089 7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 96 103.127 24.560 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 96 104.541 24.859 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 96 103.705 26.189 11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 96 105.308 25.720 10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 96 104.348 28.326 10.786 1.00 0.00 H new ATOM 0 HD3 PRO A 96 105.632 27.709 9.766 1.00 0.00 H new ATOM 1429 N THR A 97 100.630 25.846 8.308 1.00 0.00 N ATOM 1430 CA THR A 97 99.260 25.567 8.729 1.00 0.00 C ATOM 1431 C THR A 97 99.005 24.067 8.628 1.00 0.00 C ATOM 1432 O THR A 97 99.124 23.488 7.547 1.00 0.00 O ATOM 1433 CB THR A 97 98.272 26.321 7.836 1.00 0.00 C ATOM 1434 OG1 THR A 97 98.584 27.707 7.851 1.00 0.00 O ATOM 1435 CG2 THR A 97 96.848 26.110 8.355 1.00 0.00 C ATOM 0 H THR A 97 100.835 25.593 7.341 1.00 0.00 H new ATOM 0 HA THR A 97 99.122 25.896 9.759 1.00 0.00 H new ATOM 0 HB THR A 97 98.343 25.944 6.816 1.00 0.00 H new ATOM 0 HG1 THR A 97 97.953 28.191 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 97 96.145 26.647 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 97 96.610 25.046 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 97 96.773 26.486 9.376 1.00 0.00 H new ATOM 1443 N TYR A 98 98.657 23.441 9.747 1.00 0.00 N ATOM 1444 CA TYR A 98 98.406 22.003 9.750 1.00 0.00 C ATOM 1445 C TYR A 98 97.597 21.581 10.972 1.00 0.00 C ATOM 1446 O TYR A 98 97.646 22.230 12.016 1.00 0.00 O ATOM 1447 CB TYR A 98 99.740 21.252 9.724 1.00 0.00 C ATOM 1448 CG TYR A 98 100.571 21.450 10.972 1.00 0.00 C ATOM 1449 CD1 TYR A 98 101.488 22.504 11.041 1.00 0.00 C ATOM 1450 CD2 TYR A 98 100.423 20.577 12.056 1.00 0.00 C ATOM 1451 CE1 TYR A 98 102.258 22.688 12.196 1.00 0.00 C ATOM 1452 CE2 TYR A 98 101.193 20.760 13.211 1.00 0.00 C ATOM 1453 CZ TYR A 98 102.110 21.816 13.282 1.00 0.00 C ATOM 1454 OH TYR A 98 102.869 21.996 14.420 1.00 0.00 O ATOM 0 H TYR A 98 98.543 23.898 10.652 1.00 0.00 H new ATOM 0 HA TYR A 98 97.824 21.756 8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 98 99.546 20.188 9.592 1.00 0.00 H new ATOM 0 HB3 TYR A 98 100.315 21.580 8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 98 101.602 23.176 10.203 1.00 0.00 H new ATOM 0 HD2 TYR A 98 99.715 19.763 12.002 1.00 0.00 H new ATOM 0 HE1 TYR A 98 102.966 23.502 12.249 1.00 0.00 H new ATOM 0 HE2 TYR A 98 101.080 20.086 14.048 1.00 0.00 H new ATOM 0 HH TYR A 98 102.642 21.305 15.077 1.00 0.00 H new ATOM 1464 N LYS A 99 96.850 20.487 10.832 1.00 0.00 N ATOM 1465 CA LYS A 99 96.135 19.896 11.962 1.00 0.00 C ATOM 1466 C LYS A 99 96.700 18.514 12.294 1.00 0.00 C ATOM 1467 O LYS A 99 96.747 17.629 11.440 1.00 0.00 O ATOM 1468 CB LYS A 99 94.631 19.837 11.650 1.00 0.00 C ATOM 1469 CG LYS A 99 94.330 18.833 10.531 1.00 0.00 C ATOM 1470 CD LYS A 99 92.851 18.932 10.149 1.00 0.00 C ATOM 1471 CE LYS A 99 92.471 17.741 9.267 1.00 0.00 C ATOM 1472 NZ LYS A 99 93.189 17.839 7.965 1.00 0.00 N ATOM 0 H LYS A 99 96.724 19.993 9.949 1.00 0.00 H new ATOM 0 HA LYS A 99 96.274 20.521 12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 99 94.082 19.557 12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 99 94.280 20.826 11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 99 94.956 19.039 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 99 94.566 17.821 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 99 92.233 18.945 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 99 92.663 19.866 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 99 92.728 16.807 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 99 91.394 17.727 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 92.831 17.110 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 93.030 18.780 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 94.208 17.696 8.119 1.00 0.00 H new ATOM 1486 N HIS A 100 97.160 18.358 13.537 1.00 0.00 N ATOM 1487 CA HIS A 100 97.682 17.084 14.044 1.00 0.00 C ATOM 1488 C HIS A 100 98.560 16.347 13.029 1.00 0.00 C ATOM 1489 O HIS A 100 98.624 15.117 13.036 1.00 0.00 O ATOM 1490 CB HIS A 100 96.518 16.182 14.459 1.00 0.00 C ATOM 1491 CG HIS A 100 95.575 15.857 13.333 1.00 0.00 C ATOM 1492 ND1 HIS A 100 95.882 14.921 12.357 1.00 0.00 N ATOM 1493 CD2 HIS A 100 94.327 16.332 13.016 1.00 0.00 C ATOM 1494 CE1 HIS A 100 94.840 14.863 11.510 1.00 0.00 C ATOM 1495 NE2 HIS A 100 93.864 15.702 11.863 1.00 0.00 N ATOM 0 H HIS A 100 97.182 19.112 14.223 1.00 0.00 H new ATOM 0 HA HIS A 100 98.313 17.319 14.901 1.00 0.00 H new ATOM 0 HB2 HIS A 100 96.917 15.253 14.867 1.00 0.00 H new ATOM 0 HB3 HIS A 100 95.960 16.668 15.260 1.00 0.00 H new ATOM 0 HD1 HIS A 100 96.742 14.376 12.293 1.00 0.00 H new ATOM 0 HD2 HIS A 100 93.786 17.081 13.576 1.00 0.00 H new ATOM 0 HE1 HIS A 100 94.798 14.215 10.647 1.00 0.00 H new ATOM 1503 N ASP A 101 99.237 17.097 12.163 1.00 0.00 N ATOM 1504 CA ASP A 101 100.078 16.484 11.139 1.00 0.00 C ATOM 1505 C ASP A 101 101.318 17.329 10.859 1.00 0.00 C ATOM 1506 O ASP A 101 101.301 18.206 9.996 1.00 0.00 O ATOM 1507 CB ASP A 101 99.278 16.310 9.846 1.00 0.00 C ATOM 1508 CG ASP A 101 100.111 15.557 8.814 1.00 0.00 C ATOM 1509 OD1 ASP A 101 100.033 14.339 8.795 1.00 0.00 O ATOM 1510 OD2 ASP A 101 100.813 16.208 8.060 1.00 0.00 O ATOM 0 H ASP A 101 99.221 18.117 12.149 1.00 0.00 H new ATOM 0 HA ASP A 101 100.402 15.511 11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 101 98.356 15.765 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 101 98.991 17.285 9.452 1.00 0.00 H new ATOM 1515 N THR A 102 102.390 17.061 11.598 1.00 0.00 N ATOM 1516 CA THR A 102 103.654 17.768 11.389 1.00 0.00 C ATOM 1517 C THR A 102 104.536 17.103 10.325 1.00 0.00 C ATOM 1518 O THR A 102 105.442 17.741 9.788 1.00 0.00 O ATOM 1519 CB THR A 102 104.428 17.841 12.708 1.00 0.00 C ATOM 1520 OG1 THR A 102 104.726 16.526 13.153 1.00 0.00 O ATOM 1521 CG2 THR A 102 103.585 18.561 13.762 1.00 0.00 C ATOM 0 H THR A 102 102.412 16.364 12.343 1.00 0.00 H new ATOM 0 HA THR A 102 103.405 18.767 11.032 1.00 0.00 H new ATOM 0 HB THR A 102 105.356 18.392 12.554 1.00 0.00 H new ATOM 0 HG1 THR A 102 105.223 16.571 13.996 1.00 0.00 H new ATOM 0 HG21 THR A 102 104.139 18.611 14.699 1.00 0.00 H new ATOM 0 HG22 THR A 102 103.359 19.571 13.420 1.00 0.00 H new ATOM 0 HG23 THR A 102 102.655 18.015 13.919 1.00 0.00 H new ATOM 1529 N SER A 103 104.283 15.830 10.016 1.00 0.00 N ATOM 1530 CA SER A 103 105.116 15.088 9.073 1.00 0.00 C ATOM 1531 C SER A 103 104.298 14.653 7.861 1.00 0.00 C ATOM 1532 O SER A 103 103.074 14.546 7.943 1.00 0.00 O ATOM 1533 CB SER A 103 105.687 13.848 9.763 1.00 0.00 C ATOM 1534 OG SER A 103 106.163 14.209 11.052 1.00 0.00 O ATOM 0 H SER A 103 103.508 15.293 10.406 1.00 0.00 H new ATOM 0 HA SER A 103 105.926 15.737 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 103 104.920 13.078 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 103 106.497 13.426 9.168 1.00 0.00 H new ATOM 0 HG SER A 103 106.529 13.417 11.499 1.00 0.00 H new ATOM 1540 N ASP A 104 104.972 14.403 6.739 1.00 0.00 N ATOM 1541 CA ASP A 104 104.274 13.957 5.536 1.00 0.00 C ATOM 1542 C ASP A 104 104.321 12.437 5.432 1.00 0.00 C ATOM 1543 O ASP A 104 105.400 11.852 5.398 1.00 0.00 O ATOM 1544 CB ASP A 104 104.920 14.578 4.294 1.00 0.00 C ATOM 1545 CG ASP A 104 104.131 14.218 3.036 1.00 0.00 C ATOM 1546 OD1 ASP A 104 102.930 14.016 3.139 1.00 0.00 O ATOM 1547 OD2 ASP A 104 104.741 14.151 1.982 1.00 0.00 O ATOM 0 H ASP A 104 105.982 14.500 6.639 1.00 0.00 H new ATOM 0 HA ASP A 104 103.234 14.277 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 104 104.963 15.662 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 104 105.947 14.226 4.198 1.00 0.00 H new ATOM 1552 N TYR A 105 103.149 11.801 5.395 1.00 0.00 N ATOM 1553 CA TYR A 105 103.072 10.340 5.335 1.00 0.00 C ATOM 1554 C TYR A 105 102.419 9.877 4.036 1.00 0.00 C ATOM 1555 O TYR A 105 101.539 10.549 3.496 1.00 0.00 O ATOM 1556 CB TYR A 105 102.258 9.810 6.517 1.00 0.00 C ATOM 1557 CG TYR A 105 102.858 10.131 7.865 1.00 0.00 C ATOM 1558 CD1 TYR A 105 103.945 9.389 8.343 1.00 0.00 C ATOM 1559 CD2 TYR A 105 102.322 11.165 8.641 1.00 0.00 C ATOM 1560 CE1 TYR A 105 104.496 9.682 9.596 1.00 0.00 C ATOM 1561 CE2 TYR A 105 102.874 11.459 9.893 1.00 0.00 C ATOM 1562 CZ TYR A 105 103.961 10.717 10.371 1.00 0.00 C ATOM 1563 OH TYR A 105 104.503 11.005 11.607 1.00 0.00 O ATOM 0 H TYR A 105 102.244 12.272 5.405 1.00 0.00 H new ATOM 0 HA TYR A 105 104.089 9.950 5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 105 101.252 10.227 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 105 102.159 8.729 6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 105 104.358 8.590 7.745 1.00 0.00 H new ATOM 0 HD2 TYR A 105 101.482 11.736 8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 105 105.334 9.109 9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 105 102.461 12.258 10.491 1.00 0.00 H new ATOM 0 HH TYR A 105 104.015 11.752 12.012 1.00 0.00 H new ATOM 1573 N GLY A 106 102.858 8.724 3.539 1.00 0.00 N ATOM 1574 CA GLY A 106 102.281 8.153 2.325 1.00 0.00 C ATOM 1575 C GLY A 106 102.184 6.634 2.425 1.00 0.00 C ATOM 1576 O GLY A 106 102.901 6.012 3.208 1.00 0.00 O ATOM 0 H GLY A 106 103.606 8.169 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 106 101.289 8.574 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 106 102.893 8.426 1.465 1.00 0.00 H new ATOM 1580 N PHE A 107 101.307 6.046 1.615 1.00 0.00 N ATOM 1581 CA PHE A 107 101.104 4.595 1.622 1.00 0.00 C ATOM 1582 C PHE A 107 101.579 3.988 0.305 1.00 0.00 C ATOM 1583 O PHE A 107 101.413 4.599 -0.751 1.00 0.00 O ATOM 1584 CB PHE A 107 99.622 4.277 1.826 1.00 0.00 C ATOM 1585 CG PHE A 107 99.078 4.766 3.147 1.00 0.00 C ATOM 1586 CD1 PHE A 107 99.124 3.936 4.274 1.00 0.00 C ATOM 1587 CD2 PHE A 107 98.528 6.050 3.246 1.00 0.00 C ATOM 1588 CE1 PHE A 107 98.619 4.388 5.498 1.00 0.00 C ATOM 1589 CE2 PHE A 107 98.023 6.502 4.470 1.00 0.00 C ATOM 1590 CZ PHE A 107 98.068 5.672 5.596 1.00 0.00 C ATOM 0 H PHE A 107 100.725 6.549 0.945 1.00 0.00 H new ATOM 0 HA PHE A 107 101.683 4.166 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 107 99.047 4.727 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 107 99.477 3.199 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 107 99.550 2.946 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 107 98.494 6.691 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 107 98.654 3.747 6.367 1.00 0.00 H new ATOM 0 HE2 PHE A 107 97.598 7.492 4.546 1.00 0.00 H new ATOM 0 HZ PHE A 107 97.678 6.022 6.540 1.00 0.00 H new ATOM 1600 N SER A 108 102.155 2.785 0.359 1.00 0.00 N ATOM 1601 CA SER A 108 102.699 2.158 -0.845 1.00 0.00 C ATOM 1602 C SER A 108 102.283 0.694 -0.952 1.00 0.00 C ATOM 1603 O SER A 108 102.156 0.001 0.057 1.00 0.00 O ATOM 1604 CB SER A 108 104.225 2.249 -0.828 1.00 0.00 C ATOM 1605 OG SER A 108 104.735 1.741 -2.054 1.00 0.00 O ATOM 0 H SER A 108 102.256 2.233 1.211 1.00 0.00 H new ATOM 0 HA SER A 108 102.300 2.690 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.538 3.284 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.626 1.680 0.011 1.00 0.00 H new ATOM 0 HG SER A 108 105.713 1.798 -2.050 1.00 0.00 H new ATOM 1611 N TYR A 109 102.071 0.244 -2.188 1.00 0.00 N ATOM 1612 CA TYR A 109 101.744 -1.153 -2.463 1.00 0.00 C ATOM 1613 C TYR A 109 102.463 -1.611 -3.730 1.00 0.00 C ATOM 1614 O TYR A 109 102.688 -0.808 -4.636 1.00 0.00 O ATOM 1615 CB TYR A 109 100.232 -1.309 -2.642 1.00 0.00 C ATOM 1616 CG TYR A 109 99.799 -2.714 -2.997 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.712 -3.099 -4.340 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.489 -3.631 -1.986 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.313 -4.400 -4.672 1.00 0.00 C ATOM 1620 CE2 TYR A 109 99.089 -4.932 -2.318 1.00 0.00 C ATOM 1621 CZ TYR A 109 99.001 -5.316 -3.661 1.00 0.00 C ATOM 1622 OH TYR A 109 98.608 -6.597 -3.988 1.00 0.00 O ATOM 0 H TYR A 109 102.121 0.832 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 109 102.069 -1.767 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.734 -1.008 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.896 -0.627 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.953 -2.393 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.558 -3.336 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 109 99.246 -4.696 -5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 109 98.849 -5.639 -1.538 1.00 0.00 H new ATOM 0 HH TYR A 109 98.430 -7.104 -3.168 1.00 0.00 H new ATOM 1632 N GLY A 110 102.833 -2.889 -3.788 1.00 0.00 N ATOM 1633 CA GLY A 110 103.478 -3.418 -4.988 1.00 0.00 C ATOM 1634 C GLY A 110 103.639 -4.933 -4.926 1.00 0.00 C ATOM 1635 O GLY A 110 103.272 -5.564 -3.938 1.00 0.00 O ATOM 0 H GLY A 110 102.701 -3.565 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 110 102.888 -3.151 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.457 -2.954 -5.109 1.00 0.00 H new ATOM 1639 N ALA A 111 104.197 -5.503 -5.989 1.00 0.00 N ATOM 1640 CA ALA A 111 104.432 -6.942 -6.051 1.00 0.00 C ATOM 1641 C ALA A 111 105.677 -7.230 -6.884 1.00 0.00 C ATOM 1642 O ALA A 111 106.093 -6.398 -7.691 1.00 0.00 O ATOM 1643 CB ALA A 111 103.224 -7.646 -6.672 1.00 0.00 C ATOM 0 H ALA A 111 104.495 -4.991 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 111 104.582 -7.317 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.410 -8.719 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 111 102.339 -7.454 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.061 -7.267 -7.681 1.00 0.00 H new ATOM 1649 N GLY A 112 106.268 -8.407 -6.693 1.00 0.00 N ATOM 1650 CA GLY A 112 107.487 -8.755 -7.418 1.00 0.00 C ATOM 1651 C GLY A 112 107.705 -10.262 -7.456 1.00 0.00 C ATOM 1652 O GLY A 112 106.960 -11.022 -6.838 1.00 0.00 O ATOM 0 H GLY A 112 105.929 -9.126 -6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 112 107.428 -8.369 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 112 108.343 -8.275 -6.944 1.00 0.00 H new ATOM 1656 N LEU A 113 108.744 -10.680 -8.177 1.00 0.00 N ATOM 1657 CA LEU A 113 109.059 -12.101 -8.307 1.00 0.00 C ATOM 1658 C LEU A 113 110.566 -12.327 -8.249 1.00 0.00 C ATOM 1659 O LEU A 113 111.349 -11.434 -8.573 1.00 0.00 O ATOM 1660 CB LEU A 113 108.473 -12.728 -9.590 1.00 0.00 C ATOM 1661 CG LEU A 113 108.560 -11.841 -10.852 1.00 0.00 C ATOM 1662 CD1 LEU A 113 107.480 -10.755 -10.833 1.00 0.00 C ATOM 1663 CD2 LEU A 113 109.942 -11.197 -11.012 1.00 0.00 C ATOM 0 H LEU A 113 109.379 -10.058 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 113 108.587 -12.603 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 113 108.992 -13.666 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 113 107.427 -12.975 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 113 108.395 -12.496 -11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 113 107.562 -10.144 -11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 113 106.495 -11.222 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 113 107.612 -10.125 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.955 -10.583 -11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 113 110.155 -10.573 -10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.699 -11.977 -11.093 1.00 0.00 H new ATOM 1675 N GLN A 114 110.960 -13.518 -7.803 1.00 0.00 N ATOM 1676 CA GLN A 114 112.373 -13.870 -7.692 1.00 0.00 C ATOM 1677 C GLN A 114 112.659 -15.142 -8.487 1.00 0.00 C ATOM 1678 O GLN A 114 112.037 -16.177 -8.252 1.00 0.00 O ATOM 1679 CB GLN A 114 112.719 -14.085 -6.217 1.00 0.00 C ATOM 1680 CG GLN A 114 114.231 -14.257 -6.048 1.00 0.00 C ATOM 1681 CD GLN A 114 114.599 -14.400 -4.569 1.00 0.00 C ATOM 1682 OE1 GLN A 114 113.757 -14.232 -3.685 1.00 0.00 O ATOM 1683 NE2 GLN A 114 115.825 -14.701 -4.243 1.00 0.00 N ATOM 0 H GLN A 114 110.319 -14.256 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 114 112.984 -13.063 -8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 114 112.374 -13.235 -5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 114 112.201 -14.966 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 114 114.565 -15.137 -6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 114 114.749 -13.399 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 114 116.526 -14.841 -4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.083 -14.796 -3.261 1.00 0.00 H new ATOM 1692 N PHE A 115 113.600 -15.066 -9.428 1.00 0.00 N ATOM 1693 CA PHE A 115 113.888 -16.206 -10.299 1.00 0.00 C ATOM 1694 C PHE A 115 115.389 -16.451 -10.400 1.00 0.00 C ATOM 1695 O PHE A 115 116.188 -15.554 -10.140 1.00 0.00 O ATOM 1696 CB PHE A 115 113.316 -15.952 -11.696 1.00 0.00 C ATOM 1697 CG PHE A 115 113.954 -14.783 -12.408 1.00 0.00 C ATOM 1698 CD1 PHE A 115 115.081 -14.984 -13.215 1.00 0.00 C ATOM 1699 CD2 PHE A 115 113.417 -13.498 -12.263 1.00 0.00 C ATOM 1700 CE1 PHE A 115 115.672 -13.900 -13.876 1.00 0.00 C ATOM 1701 CE2 PHE A 115 114.008 -12.414 -12.923 1.00 0.00 C ATOM 1702 CZ PHE A 115 115.135 -12.615 -13.730 1.00 0.00 C ATOM 0 H PHE A 115 114.169 -14.239 -9.606 1.00 0.00 H new ATOM 0 HA PHE A 115 113.421 -17.091 -9.866 1.00 0.00 H new ATOM 0 HB2 PHE A 115 113.445 -16.849 -12.301 1.00 0.00 H new ATOM 0 HB3 PHE A 115 112.244 -15.775 -11.614 1.00 0.00 H new ATOM 0 HD1 PHE A 115 115.494 -15.975 -13.328 1.00 0.00 H new ATOM 0 HD2 PHE A 115 112.547 -13.343 -11.642 1.00 0.00 H new ATOM 0 HE1 PHE A 115 116.541 -14.055 -14.498 1.00 0.00 H new ATOM 0 HE2 PHE A 115 113.595 -11.423 -12.810 1.00 0.00 H new ATOM 0 HZ PHE A 115 115.590 -11.779 -14.240 1.00 0.00 H new ATOM 1712 N ASN A 116 115.766 -17.668 -10.784 1.00 0.00 N ATOM 1713 CA ASN A 116 117.177 -17.995 -10.956 1.00 0.00 C ATOM 1714 C ASN A 116 117.355 -19.057 -12.045 1.00 0.00 C ATOM 1715 O ASN A 116 116.443 -19.853 -12.277 1.00 0.00 O ATOM 1716 CB ASN A 116 117.758 -18.514 -9.640 1.00 0.00 C ATOM 1717 CG ASN A 116 116.952 -19.711 -9.148 1.00 0.00 C ATOM 1718 OD1 ASN A 116 115.753 -19.593 -8.899 1.00 0.00 O ATOM 1719 ND2 ASN A 116 117.542 -20.865 -8.994 1.00 0.00 N ATOM 0 H ASN A 116 115.123 -18.435 -10.980 1.00 0.00 H new ATOM 0 HA ASN A 116 117.705 -17.089 -11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 116 118.800 -18.801 -9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 116 117.744 -17.723 -8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 116 117.009 -21.671 -8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 116 118.536 -20.961 -9.201 1.00 0.00 H new ATOM 1726 N PRO A 117 118.489 -19.100 -12.714 1.00 0.00 N ATOM 1727 CA PRO A 117 118.755 -20.141 -13.742 1.00 0.00 C ATOM 1728 C PRO A 117 119.444 -21.366 -13.145 1.00 0.00 C ATOM 1729 O PRO A 117 120.487 -21.805 -13.631 1.00 0.00 O ATOM 1730 CB PRO A 117 119.671 -19.416 -14.726 1.00 0.00 C ATOM 1731 CG PRO A 117 120.453 -18.452 -13.893 1.00 0.00 C ATOM 1732 CD PRO A 117 119.643 -18.182 -12.621 1.00 0.00 C ATOM 0 HA PRO A 117 117.845 -20.530 -14.199 1.00 0.00 H new ATOM 0 HB2 PRO A 117 120.329 -20.116 -15.241 1.00 0.00 H new ATOM 0 HB3 PRO A 117 119.095 -18.898 -15.492 1.00 0.00 H new ATOM 0 HG2 PRO A 117 121.431 -18.865 -13.645 1.00 0.00 H new ATOM 0 HG3 PRO A 117 120.628 -17.526 -14.440 1.00 0.00 H new ATOM 0 HD2 PRO A 117 120.234 -18.377 -11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 117 119.320 -17.142 -12.570 1.00 0.00 H new ATOM 1740 N MET A 118 118.847 -21.916 -12.092 1.00 0.00 N ATOM 1741 CA MET A 118 119.433 -23.053 -11.389 1.00 0.00 C ATOM 1742 C MET A 118 120.836 -22.722 -10.872 1.00 0.00 C ATOM 1743 O MET A 118 121.723 -23.577 -10.861 1.00 0.00 O ATOM 1744 CB MET A 118 119.492 -24.272 -12.314 1.00 0.00 C ATOM 1745 CG MET A 118 118.070 -24.694 -12.692 1.00 0.00 C ATOM 1746 SD MET A 118 118.136 -26.201 -13.694 1.00 0.00 S ATOM 1747 CE MET A 118 116.365 -26.308 -14.056 1.00 0.00 C ATOM 0 H MET A 118 117.959 -21.594 -11.707 1.00 0.00 H new ATOM 0 HA MET A 118 118.799 -23.281 -10.532 1.00 0.00 H new ATOM 0 HB2 MET A 118 120.063 -24.034 -13.211 1.00 0.00 H new ATOM 0 HB3 MET A 118 120.007 -25.094 -11.817 1.00 0.00 H new ATOM 0 HG2 MET A 118 117.479 -24.868 -11.793 1.00 0.00 H new ATOM 0 HG3 MET A 118 117.578 -23.896 -13.248 1.00 0.00 H new ATOM 0 HE1 MET A 118 116.173 -27.184 -14.676 1.00 0.00 H new ATOM 0 HE2 MET A 118 115.808 -26.394 -13.123 1.00 0.00 H new ATOM 0 HE3 MET A 118 116.047 -25.411 -14.587 1.00 0.00 H new ATOM 1757 N GLU A 119 121.030 -21.478 -10.438 1.00 0.00 N ATOM 1758 CA GLU A 119 122.308 -21.048 -9.875 1.00 0.00 C ATOM 1759 C GLU A 119 122.110 -20.524 -8.457 1.00 0.00 C ATOM 1760 O GLU A 119 120.980 -20.399 -7.985 1.00 0.00 O ATOM 1761 CB GLU A 119 122.924 -19.946 -10.741 1.00 0.00 C ATOM 1762 CG GLU A 119 123.220 -20.495 -12.140 1.00 0.00 C ATOM 1763 CD GLU A 119 124.234 -21.641 -12.092 1.00 0.00 C ATOM 1764 OE1 GLU A 119 124.929 -21.777 -11.095 1.00 0.00 O ATOM 1765 OE2 GLU A 119 124.302 -22.374 -13.064 1.00 0.00 O ATOM 0 H GLU A 119 120.317 -20.749 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 119 122.980 -21.906 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 119 122.241 -19.099 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 119 123.842 -19.579 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 119 122.295 -20.846 -12.597 1.00 0.00 H new ATOM 0 HG3 GLU A 119 123.604 -19.694 -12.772 1.00 0.00 H new ATOM 1772 N ASN A 120 123.213 -20.221 -7.781 1.00 0.00 N ATOM 1773 CA ASN A 120 123.139 -19.704 -6.413 1.00 0.00 C ATOM 1774 C ASN A 120 122.832 -18.199 -6.355 1.00 0.00 C ATOM 1775 O ASN A 120 122.839 -17.614 -5.272 1.00 0.00 O ATOM 1776 CB ASN A 120 124.462 -19.972 -5.694 1.00 0.00 C ATOM 1777 CG ASN A 120 124.748 -21.469 -5.668 1.00 0.00 C ATOM 1778 OD1 ASN A 120 123.835 -22.274 -5.484 1.00 0.00 O ATOM 1779 ND2 ASN A 120 125.969 -21.894 -5.842 1.00 0.00 N ATOM 0 H ASN A 120 124.159 -20.321 -8.149 1.00 0.00 H new ATOM 0 HA ASN A 120 122.315 -20.223 -5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 120 125.273 -19.447 -6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 120 124.417 -19.584 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 120 126.168 -22.894 -5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 120 126.725 -21.226 -5.994 1.00 0.00 H new ATOM 1786 N VAL A 121 122.561 -17.567 -7.499 1.00 0.00 N ATOM 1787 CA VAL A 121 122.224 -16.146 -7.531 1.00 0.00 C ATOM 1788 C VAL A 121 120.846 -15.957 -8.160 1.00 0.00 C ATOM 1789 O VAL A 121 120.533 -16.568 -9.181 1.00 0.00 O ATOM 1790 CB VAL A 121 123.273 -15.368 -8.337 1.00 0.00 C ATOM 1791 CG1 VAL A 121 122.963 -13.869 -8.280 1.00 0.00 C ATOM 1792 CG2 VAL A 121 124.666 -15.610 -7.746 1.00 0.00 C ATOM 0 H VAL A 121 122.569 -18.018 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 121 122.211 -15.764 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 121 123.248 -15.710 -9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 121 123.710 -13.321 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 121 121.975 -13.685 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 121 122.983 -13.533 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 121 125.407 -15.055 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 121 124.685 -15.273 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 121 124.898 -16.674 -7.785 1.00 0.00 H new ATOM 1802 N ALA A 122 120.026 -15.108 -7.545 1.00 0.00 N ATOM 1803 CA ALA A 122 118.670 -14.871 -8.036 1.00 0.00 C ATOM 1804 C ALA A 122 118.426 -13.378 -8.227 1.00 0.00 C ATOM 1805 O ALA A 122 119.066 -12.552 -7.578 1.00 0.00 O ATOM 1806 CB ALA A 122 117.656 -15.429 -7.036 1.00 0.00 C ATOM 0 H ALA A 122 120.274 -14.576 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 122 118.554 -15.373 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.646 -15.251 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 122 117.815 -16.501 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 122 117.784 -14.934 -6.074 1.00 0.00 H new ATOM 1812 N LEU A 123 117.485 -13.045 -9.108 1.00 0.00 N ATOM 1813 CA LEU A 123 117.168 -11.651 -9.402 1.00 0.00 C ATOM 1814 C LEU A 123 115.748 -11.347 -8.942 1.00 0.00 C ATOM 1815 O LEU A 123 114.853 -12.177 -9.100 1.00 0.00 O ATOM 1816 CB LEU A 123 117.280 -11.387 -10.912 1.00 0.00 C ATOM 1817 CG LEU A 123 118.727 -11.092 -11.346 1.00 0.00 C ATOM 1818 CD1 LEU A 123 119.203 -9.773 -10.733 1.00 0.00 C ATOM 1819 CD2 LEU A 123 119.671 -12.225 -10.923 1.00 0.00 C ATOM 0 H LEU A 123 116.929 -13.722 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 123 117.874 -11.009 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 123 116.908 -12.253 -11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 123 116.643 -10.544 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 123 118.743 -11.015 -12.433 1.00 0.00 H new ATOM 0 HD11 LEU A 123 120.228 -9.575 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 123 118.557 -8.962 -11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 123 119.163 -9.842 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 123 120.687 -11.991 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 123 119.647 -12.333 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 123 119.351 -13.158 -11.387 1.00 0.00 H new ATOM 1831 N ASP A 124 115.547 -10.162 -8.369 1.00 0.00 N ATOM 1832 CA ASP A 124 114.229 -9.771 -7.878 1.00 0.00 C ATOM 1833 C ASP A 124 113.781 -8.482 -8.553 1.00 0.00 C ATOM 1834 O ASP A 124 114.517 -7.495 -8.561 1.00 0.00 O ATOM 1835 CB ASP A 124 114.278 -9.565 -6.363 1.00 0.00 C ATOM 1836 CG ASP A 124 115.304 -8.492 -6.012 1.00 0.00 C ATOM 1837 OD1 ASP A 124 114.951 -7.325 -6.059 1.00 0.00 O ATOM 1838 OD2 ASP A 124 116.428 -8.853 -5.704 1.00 0.00 O ATOM 0 H ASP A 124 116.275 -9.461 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 124 113.518 -10.563 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 124 113.294 -9.272 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 124 114.537 -10.502 -5.869 1.00 0.00 H new ATOM 1843 N PHE A 125 112.584 -8.511 -9.135 1.00 0.00 N ATOM 1844 CA PHE A 125 112.020 -7.330 -9.784 1.00 0.00 C ATOM 1845 C PHE A 125 110.639 -7.038 -9.212 1.00 0.00 C ATOM 1846 O PHE A 125 109.842 -7.954 -9.020 1.00 0.00 O ATOM 1847 CB PHE A 125 111.917 -7.560 -11.293 1.00 0.00 C ATOM 1848 CG PHE A 125 113.256 -7.755 -11.963 1.00 0.00 C ATOM 1849 CD1 PHE A 125 113.997 -6.642 -12.381 1.00 0.00 C ATOM 1850 CD2 PHE A 125 113.756 -9.045 -12.168 1.00 0.00 C ATOM 1851 CE1 PHE A 125 115.238 -6.821 -13.003 1.00 0.00 C ATOM 1852 CE2 PHE A 125 114.998 -9.224 -12.790 1.00 0.00 C ATOM 1853 CZ PHE A 125 115.738 -8.112 -13.206 1.00 0.00 C ATOM 0 H PHE A 125 111.987 -9.337 -9.170 1.00 0.00 H new ATOM 0 HA PHE A 125 112.674 -6.477 -9.599 1.00 0.00 H new ATOM 0 HB2 PHE A 125 111.296 -8.436 -11.478 1.00 0.00 H new ATOM 0 HB3 PHE A 125 111.411 -6.709 -11.749 1.00 0.00 H new ATOM 0 HD1 PHE A 125 113.611 -5.646 -12.223 1.00 0.00 H new ATOM 0 HD2 PHE A 125 113.184 -9.903 -11.847 1.00 0.00 H new ATOM 0 HE1 PHE A 125 115.809 -5.963 -13.326 1.00 0.00 H new ATOM 0 HE2 PHE A 125 115.384 -10.220 -12.948 1.00 0.00 H new ATOM 0 HZ PHE A 125 116.696 -8.250 -13.684 1.00 0.00 H new ATOM 1863 N SER A 126 110.368 -5.769 -8.927 1.00 0.00 N ATOM 1864 CA SER A 126 109.081 -5.388 -8.359 1.00 0.00 C ATOM 1865 C SER A 126 108.608 -4.048 -8.915 1.00 0.00 C ATOM 1866 O SER A 126 109.417 -3.198 -9.287 1.00 0.00 O ATOM 1867 CB SER A 126 109.192 -5.294 -6.837 1.00 0.00 C ATOM 1868 OG SER A 126 109.675 -6.530 -6.328 1.00 0.00 O ATOM 0 H SER A 126 111.015 -4.995 -9.078 1.00 0.00 H new ATOM 0 HA SER A 126 108.353 -6.152 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 126 109.866 -4.484 -6.559 1.00 0.00 H new ATOM 0 HB3 SER A 126 108.219 -5.063 -6.403 1.00 0.00 H new ATOM 0 HG SER A 126 109.497 -6.580 -5.366 1.00 0.00 H new ATOM 1874 N TYR A 127 107.292 -3.871 -8.967 1.00 0.00 N ATOM 1875 CA TYR A 127 106.705 -2.596 -9.367 1.00 0.00 C ATOM 1876 C TYR A 127 105.956 -1.995 -8.184 1.00 0.00 C ATOM 1877 O TYR A 127 105.097 -2.648 -7.590 1.00 0.00 O ATOM 1878 CB TYR A 127 105.735 -2.809 -10.531 1.00 0.00 C ATOM 1879 CG TYR A 127 106.360 -3.502 -11.718 1.00 0.00 C ATOM 1880 CD1 TYR A 127 106.332 -4.900 -11.806 1.00 0.00 C ATOM 1881 CD2 TYR A 127 106.966 -2.750 -12.730 1.00 0.00 C ATOM 1882 CE1 TYR A 127 106.910 -5.544 -12.906 1.00 0.00 C ATOM 1883 CE2 TYR A 127 107.544 -3.394 -13.831 1.00 0.00 C ATOM 1884 CZ TYR A 127 107.516 -4.792 -13.918 1.00 0.00 C ATOM 1885 OH TYR A 127 108.086 -5.426 -15.003 1.00 0.00 O ATOM 0 H TYR A 127 106.611 -4.595 -8.737 1.00 0.00 H new ATOM 0 HA TYR A 127 107.498 -1.918 -9.684 1.00 0.00 H new ATOM 0 HB2 TYR A 127 104.886 -3.397 -10.183 1.00 0.00 H new ATOM 0 HB3 TYR A 127 105.344 -1.842 -10.849 1.00 0.00 H new ATOM 0 HD1 TYR A 127 105.864 -5.481 -11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 127 106.988 -1.672 -12.662 1.00 0.00 H new ATOM 0 HE1 TYR A 127 106.888 -6.622 -12.974 1.00 0.00 H new ATOM 0 HE2 TYR A 127 108.011 -2.813 -14.613 1.00 0.00 H new ATOM 0 HH TYR A 127 108.462 -4.757 -15.613 1.00 0.00 H new ATOM 1895 N GLU A 128 106.280 -0.751 -7.839 1.00 0.00 N ATOM 1896 CA GLU A 128 105.685 -0.112 -6.666 1.00 0.00 C ATOM 1897 C GLU A 128 105.032 1.217 -7.026 1.00 0.00 C ATOM 1898 O GLU A 128 105.574 2.004 -7.802 1.00 0.00 O ATOM 1899 CB GLU A 128 106.765 0.126 -5.608 1.00 0.00 C ATOM 1900 CG GLU A 128 107.353 -1.220 -5.165 1.00 0.00 C ATOM 1901 CD GLU A 128 108.382 -1.050 -4.043 1.00 0.00 C ATOM 1902 OE1 GLU A 128 108.772 0.073 -3.755 1.00 0.00 O ATOM 1903 OE2 GLU A 128 108.770 -2.060 -3.479 1.00 0.00 O ATOM 0 H GLU A 128 106.945 -0.169 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 128 104.915 -0.777 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 128 107.552 0.763 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 128 106.341 0.649 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 128 106.549 -1.873 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 128 107.823 -1.710 -6.018 1.00 0.00 H new ATOM 1910 N GLN A 129 103.855 1.453 -6.455 1.00 0.00 N ATOM 1911 CA GLN A 129 103.162 2.724 -6.617 1.00 0.00 C ATOM 1912 C GLN A 129 102.739 3.238 -5.247 1.00 0.00 C ATOM 1913 O GLN A 129 102.257 2.464 -4.419 1.00 0.00 O ATOM 1914 CB GLN A 129 101.929 2.542 -7.506 1.00 0.00 C ATOM 1915 CG GLN A 129 101.285 3.905 -7.772 1.00 0.00 C ATOM 1916 CD GLN A 129 99.961 3.719 -8.507 1.00 0.00 C ATOM 1917 OE1 GLN A 129 99.072 3.021 -8.020 1.00 0.00 O ATOM 1918 NE2 GLN A 129 99.776 4.307 -9.657 1.00 0.00 N ATOM 0 H GLN A 129 103.360 0.777 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 129 103.830 3.444 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 129 102.213 2.072 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.213 1.878 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 129 101.118 4.428 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 129 101.957 4.525 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN A 129 100.514 4.885 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 129 98.893 4.189 -10.154 1.00 0.00 H new ATOM 1927 N SER A 130 102.944 4.528 -4.993 1.00 0.00 N ATOM 1928 CA SER A 130 102.616 5.093 -3.689 1.00 0.00 C ATOM 1929 C SER A 130 102.003 6.479 -3.828 1.00 0.00 C ATOM 1930 O SER A 130 102.334 7.229 -4.747 1.00 0.00 O ATOM 1931 CB SER A 130 103.874 5.171 -2.823 1.00 0.00 C ATOM 1932 OG SER A 130 103.528 5.679 -1.542 1.00 0.00 O ATOM 0 H SER A 130 103.330 5.193 -5.663 1.00 0.00 H new ATOM 0 HA SER A 130 101.884 4.441 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.325 4.184 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.616 5.815 -3.295 1.00 0.00 H new ATOM 0 HG SER A 130 102.573 5.533 -1.379 1.00 0.00 H new ATOM 1938 N ARG A 131 101.107 6.807 -2.903 1.00 0.00 N ATOM 1939 CA ARG A 131 100.464 8.115 -2.886 1.00 0.00 C ATOM 1940 C ARG A 131 100.884 8.877 -1.635 1.00 0.00 C ATOM 1941 O ARG A 131 100.742 8.377 -0.518 1.00 0.00 O ATOM 1942 CB ARG A 131 98.943 7.955 -2.903 1.00 0.00 C ATOM 1943 CG ARG A 131 98.514 7.274 -4.204 1.00 0.00 C ATOM 1944 CD ARG A 131 96.987 7.209 -4.268 1.00 0.00 C ATOM 1945 NE ARG A 131 96.562 6.384 -5.403 1.00 0.00 N ATOM 1946 CZ ARG A 131 96.660 6.780 -6.681 1.00 0.00 C ATOM 1947 NH1 ARG A 131 97.149 7.949 -7.017 1.00 0.00 N ATOM 1948 NH2 ARG A 131 96.252 5.973 -7.623 1.00 0.00 N ATOM 0 H ARG A 131 100.809 6.183 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 131 100.772 8.672 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.620 7.363 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.463 8.930 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 131 98.901 7.826 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 131 98.934 6.269 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.594 6.794 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 131 96.577 8.214 -4.366 1.00 0.00 H new ATOM 0 HE ARG A 131 96.172 5.461 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 131 97.471 8.594 -6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 131 97.207 8.214 -8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 131 95.867 5.060 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 131 96.318 6.256 -8.601 1.00 0.00 H new ATOM 1962 N ILE A 132 101.424 10.076 -1.841 1.00 0.00 N ATOM 1963 CA ILE A 132 101.902 10.908 -0.743 1.00 0.00 C ATOM 1964 C ILE A 132 101.251 12.276 -0.890 1.00 0.00 C ATOM 1965 O ILE A 132 101.734 13.126 -1.637 1.00 0.00 O ATOM 1966 CB ILE A 132 103.438 10.982 -0.743 1.00 0.00 C ATOM 1967 CG1 ILE A 132 103.914 11.908 0.382 1.00 0.00 C ATOM 1968 CG2 ILE A 132 103.977 11.489 -2.086 1.00 0.00 C ATOM 1969 CD1 ILE A 132 105.409 11.694 0.620 1.00 0.00 C ATOM 0 H ILE A 132 101.541 10.494 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 132 101.626 10.481 0.221 1.00 0.00 H new ATOM 0 HB ILE A 132 103.821 9.974 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.722 12.948 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.356 11.704 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 132 105.066 11.528 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 132 103.665 10.813 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.584 12.487 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 132 105.748 12.352 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.587 10.657 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.959 11.920 -0.294 1.00 0.00 H new ATOM 1981 N ARG A 133 100.133 12.455 -0.180 1.00 0.00 N ATOM 1982 CA ARG A 133 99.159 13.540 -0.402 1.00 0.00 C ATOM 1983 C ARG A 133 99.275 14.238 -1.764 1.00 0.00 C ATOM 1984 O ARG A 133 100.082 15.150 -1.942 1.00 0.00 O ATOM 1985 CB ARG A 133 99.317 14.588 0.701 1.00 0.00 C ATOM 1986 CG ARG A 133 98.958 13.966 2.053 1.00 0.00 C ATOM 1987 CD ARG A 133 98.996 15.042 3.140 1.00 0.00 C ATOM 1988 NE ARG A 133 100.315 15.681 3.183 1.00 0.00 N ATOM 1989 CZ ARG A 133 100.517 16.936 3.613 1.00 0.00 C ATOM 1990 NH1 ARG A 133 99.536 17.697 4.036 1.00 0.00 N ATOM 1991 NH2 ARG A 133 101.731 17.415 3.609 1.00 0.00 N ATOM 0 H ARG A 133 99.869 11.836 0.586 1.00 0.00 H new ATOM 0 HA ARG A 133 98.177 13.067 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.342 14.959 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.672 15.443 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 133 97.966 13.517 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.658 13.166 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 133 98.228 15.791 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 133 98.769 14.597 4.109 1.00 0.00 H new ATOM 0 HE ARG A 133 101.122 15.143 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 133 98.581 17.339 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 133 99.728 18.646 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 133 102.506 16.838 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 133 101.905 18.367 3.932 1.00 0.00 H new ATOM 2005 N SER A 134 98.466 13.778 -2.716 1.00 0.00 N ATOM 2006 CA SER A 134 98.281 14.452 -4.007 1.00 0.00 C ATOM 2007 C SER A 134 99.446 14.229 -4.979 1.00 0.00 C ATOM 2008 O SER A 134 99.307 14.526 -6.167 1.00 0.00 O ATOM 2009 CB SER A 134 98.026 15.957 -3.826 1.00 0.00 C ATOM 2010 OG SER A 134 99.262 16.659 -3.755 1.00 0.00 O ATOM 0 H SER A 134 97.917 12.924 -2.617 1.00 0.00 H new ATOM 0 HA SER A 134 97.399 13.993 -4.452 1.00 0.00 H new ATOM 0 HB2 SER A 134 97.432 16.335 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 134 97.449 16.129 -2.917 1.00 0.00 H new ATOM 0 HG SER A 134 99.735 16.406 -2.935 1.00 0.00 H new ATOM 2016 N VAL A 135 100.584 13.717 -4.503 1.00 0.00 N ATOM 2017 CA VAL A 135 101.712 13.442 -5.392 1.00 0.00 C ATOM 2018 C VAL A 135 101.779 11.947 -5.690 1.00 0.00 C ATOM 2019 O VAL A 135 101.710 11.124 -4.778 1.00 0.00 O ATOM 2020 CB VAL A 135 103.024 13.906 -4.748 1.00 0.00 C ATOM 2021 CG1 VAL A 135 104.185 13.698 -5.725 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.931 15.393 -4.397 1.00 0.00 C ATOM 0 H VAL A 135 100.746 13.488 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 135 101.569 13.989 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 135 103.197 13.324 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 135 105.114 14.030 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 135 104.263 12.641 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 135 104.005 14.276 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.866 15.718 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.751 15.970 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.110 15.551 -3.697 1.00 0.00 H new ATOM 2032 N ASP A 136 101.903 11.606 -6.969 1.00 0.00 N ATOM 2033 CA ASP A 136 101.943 10.203 -7.381 1.00 0.00 C ATOM 2034 C ASP A 136 103.370 9.792 -7.727 1.00 0.00 C ATOM 2035 O ASP A 136 103.981 10.374 -8.621 1.00 0.00 O ATOM 2036 CB ASP A 136 101.039 9.991 -8.597 1.00 0.00 C ATOM 2037 CG ASP A 136 100.977 8.508 -8.947 1.00 0.00 C ATOM 2038 OD1 ASP A 136 101.803 8.070 -9.730 1.00 0.00 O ATOM 2039 OD2 ASP A 136 100.104 7.833 -8.427 1.00 0.00 O ATOM 0 H ASP A 136 101.977 12.275 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 136 101.588 9.588 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 136 100.037 10.366 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 136 101.419 10.558 -9.447 1.00 0.00 H new ATOM 2044 N VAL A 137 103.899 8.778 -7.042 1.00 0.00 N ATOM 2045 CA VAL A 137 105.286 8.362 -7.261 1.00 0.00 C ATOM 2046 C VAL A 137 105.353 6.900 -7.700 1.00 0.00 C ATOM 2047 O VAL A 137 104.656 6.046 -7.155 1.00 0.00 O ATOM 2048 CB VAL A 137 106.094 8.581 -5.974 1.00 0.00 C ATOM 2049 CG1 VAL A 137 105.539 7.709 -4.845 1.00 0.00 C ATOM 2050 CG2 VAL A 137 107.564 8.226 -6.216 1.00 0.00 C ATOM 0 H VAL A 137 103.397 8.235 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 137 105.716 8.966 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 137 106.015 9.629 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 137 106.121 7.874 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.497 7.972 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 137 105.603 6.659 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 137 108.132 8.384 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 137 107.641 7.181 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 137 107.966 8.861 -7.006 1.00 0.00 H new ATOM 2060 N GLY A 138 106.200 6.633 -8.691 1.00 0.00 N ATOM 2061 CA GLY A 138 106.396 5.277 -9.194 1.00 0.00 C ATOM 2062 C GLY A 138 107.859 4.881 -9.047 1.00 0.00 C ATOM 2063 O GLY A 138 108.747 5.665 -9.375 1.00 0.00 O ATOM 0 H GLY A 138 106.763 7.341 -9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 138 105.764 4.580 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 138 106.097 5.220 -10.241 1.00 0.00 H new ATOM 2067 N THR A 139 108.109 3.676 -8.543 1.00 0.00 N ATOM 2068 CA THR A 139 109.477 3.230 -8.293 1.00 0.00 C ATOM 2069 C THR A 139 109.793 1.955 -9.067 1.00 0.00 C ATOM 2070 O THR A 139 109.008 1.007 -9.077 1.00 0.00 O ATOM 2071 CB THR A 139 109.664 2.967 -6.797 1.00 0.00 C ATOM 2072 OG1 THR A 139 109.251 4.110 -6.062 1.00 0.00 O ATOM 2073 CG2 THR A 139 111.138 2.677 -6.507 1.00 0.00 C ATOM 0 H THR A 139 107.389 2.995 -8.301 1.00 0.00 H new ATOM 0 HA THR A 139 110.155 4.015 -8.627 1.00 0.00 H new ATOM 0 HB THR A 139 109.063 2.107 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 139 109.966 4.780 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 139 111.269 2.490 -5.441 1.00 0.00 H new ATOM 0 HG22 THR A 139 111.454 1.799 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 139 111.742 3.535 -6.802 1.00 0.00 H new ATOM 2081 N TRP A 140 110.953 1.947 -9.716 1.00 0.00 N ATOM 2082 CA TRP A 140 111.451 0.747 -10.377 1.00 0.00 C ATOM 2083 C TRP A 140 112.634 0.203 -9.585 1.00 0.00 C ATOM 2084 O TRP A 140 113.627 0.903 -9.390 1.00 0.00 O ATOM 2085 CB TRP A 140 111.899 1.086 -11.800 1.00 0.00 C ATOM 2086 CG TRP A 140 112.351 -0.103 -12.586 1.00 0.00 C ATOM 2087 CD1 TRP A 140 113.537 -0.733 -12.430 1.00 0.00 C ATOM 2088 CD2 TRP A 140 111.651 -0.809 -13.654 1.00 0.00 C ATOM 2089 NE1 TRP A 140 113.610 -1.782 -13.327 1.00 0.00 N ATOM 2090 CE2 TRP A 140 112.473 -1.871 -14.104 1.00 0.00 C ATOM 2091 CE3 TRP A 140 110.398 -0.635 -14.265 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 112.062 -2.728 -15.128 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 109.983 -1.493 -15.294 1.00 0.00 C ATOM 2094 CH2 TRP A 140 110.812 -2.538 -15.726 1.00 0.00 C ATOM 0 H TRP A 140 111.565 2.758 -9.798 1.00 0.00 H new ATOM 0 HA TRP A 140 110.660 -0.001 -10.424 1.00 0.00 H new ATOM 0 HB2 TRP A 140 111.074 1.567 -12.326 1.00 0.00 H new ATOM 0 HB3 TRP A 140 112.712 1.810 -11.753 1.00 0.00 H new ATOM 0 HD1 TRP A 140 114.303 -0.461 -11.719 1.00 0.00 H new ATOM 0 HE1 TRP A 140 114.407 -2.413 -13.405 1.00 0.00 H new ATOM 0 HE3 TRP A 140 109.750 0.165 -13.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 112.705 -3.532 -15.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 109.018 -1.348 -15.757 1.00 0.00 H new ATOM 0 HH2 TRP A 140 110.486 -3.195 -16.519 1.00 0.00 H new ATOM 2105 N ILE A 141 112.534 -1.045 -9.134 1.00 0.00 N ATOM 2106 CA ILE A 141 113.562 -1.617 -8.266 1.00 0.00 C ATOM 2107 C ILE A 141 114.055 -2.953 -8.808 1.00 0.00 C ATOM 2108 O ILE A 141 113.270 -3.788 -9.256 1.00 0.00 O ATOM 2109 CB ILE A 141 112.987 -1.782 -6.852 1.00 0.00 C ATOM 2110 CG1 ILE A 141 114.082 -2.262 -5.868 1.00 0.00 C ATOM 2111 CG2 ILE A 141 111.762 -2.706 -6.873 1.00 0.00 C ATOM 2112 CD1 ILE A 141 114.362 -3.779 -5.888 1.00 0.00 C ATOM 0 H ILE A 141 111.761 -1.674 -9.352 1.00 0.00 H new ATOM 0 HA ILE A 141 114.418 -0.944 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 141 112.645 -0.812 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 141 115.009 -1.734 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 141 113.791 -1.975 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 141 111.368 -2.811 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 141 110.995 -2.279 -7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 141 112.052 -3.686 -7.253 1.00 0.00 H new ATOM 0 HD11 ILE A 141 115.143 -4.014 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 141 113.452 -4.320 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 141 114.689 -4.076 -6.885 1.00 0.00 H new ATOM 2124 N ALA A 142 115.371 -3.139 -8.761 1.00 0.00 N ATOM 2125 CA ALA A 142 115.971 -4.418 -9.122 1.00 0.00 C ATOM 2126 C ALA A 142 117.111 -4.738 -8.161 1.00 0.00 C ATOM 2127 O ALA A 142 117.869 -3.842 -7.782 1.00 0.00 O ATOM 2128 CB ALA A 142 116.502 -4.364 -10.556 1.00 0.00 C ATOM 0 H ALA A 142 116.040 -2.423 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 142 115.213 -5.198 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 142 116.948 -5.324 -10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 142 115.681 -4.149 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 142 117.256 -3.581 -10.636 1.00 0.00 H new ATOM 2134 N GLY A 143 117.225 -6.004 -7.759 1.00 0.00 N ATOM 2135 CA GLY A 143 118.266 -6.385 -6.809 1.00 0.00 C ATOM 2136 C GLY A 143 118.724 -7.826 -7.007 1.00 0.00 C ATOM 2137 O GLY A 143 118.158 -8.567 -7.810 1.00 0.00 O ATOM 0 H GLY A 143 116.623 -6.767 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 143 119.119 -5.716 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 143 117.892 -6.260 -5.793 1.00 0.00 H new ATOM 2141 N VAL A 144 119.732 -8.215 -6.230 1.00 0.00 N ATOM 2142 CA VAL A 144 120.304 -9.556 -6.315 1.00 0.00 C ATOM 2143 C VAL A 144 120.287 -10.194 -4.931 1.00 0.00 C ATOM 2144 O VAL A 144 120.460 -9.500 -3.929 1.00 0.00 O ATOM 2145 CB VAL A 144 121.746 -9.490 -6.834 1.00 0.00 C ATOM 2146 CG1 VAL A 144 122.296 -10.907 -7.009 1.00 0.00 C ATOM 2147 CG2 VAL A 144 121.782 -8.770 -8.185 1.00 0.00 C ATOM 0 H VAL A 144 120.171 -7.617 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 144 119.712 -10.154 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 144 122.355 -8.944 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 144 123.320 -10.857 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 144 122.281 -11.424 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 144 121.679 -11.451 -7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 144 122.809 -8.727 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 144 121.167 -9.312 -8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 144 121.396 -7.757 -8.068 1.00 0.00 H new ATOM 2157 N GLY A 145 120.068 -11.505 -4.872 1.00 0.00 N ATOM 2158 CA GLY A 145 119.980 -12.190 -3.586 1.00 0.00 C ATOM 2159 C GLY A 145 120.657 -13.555 -3.627 1.00 0.00 C ATOM 2160 O GLY A 145 120.889 -14.114 -4.697 1.00 0.00 O ATOM 0 H GLY A 145 119.950 -12.107 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 145 120.445 -11.576 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 145 118.933 -12.311 -3.309 1.00 0.00 H new ATOM 2164 N TYR A 146 120.947 -14.085 -2.442 1.00 0.00 N ATOM 2165 CA TYR A 146 121.607 -15.377 -2.317 1.00 0.00 C ATOM 2166 C TYR A 146 120.937 -16.205 -1.224 1.00 0.00 C ATOM 2167 O TYR A 146 120.491 -15.659 -0.215 1.00 0.00 O ATOM 2168 CB TYR A 146 123.093 -15.179 -2.002 1.00 0.00 C ATOM 2169 CG TYR A 146 123.360 -14.585 -0.637 1.00 0.00 C ATOM 2170 CD1 TYR A 146 123.435 -13.195 -0.482 1.00 0.00 C ATOM 2171 CD2 TYR A 146 123.532 -15.422 0.471 1.00 0.00 C ATOM 2172 CE1 TYR A 146 123.681 -12.644 0.780 1.00 0.00 C ATOM 2173 CE2 TYR A 146 123.779 -14.871 1.734 1.00 0.00 C ATOM 2174 CZ TYR A 146 123.853 -13.481 1.889 1.00 0.00 C ATOM 2175 OH TYR A 146 124.097 -12.938 3.134 1.00 0.00 O ATOM 0 H TYR A 146 120.733 -13.635 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 146 121.519 -15.913 -3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 146 123.600 -16.141 -2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 146 123.531 -14.531 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 146 123.303 -12.548 -1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 146 123.474 -16.494 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 146 123.738 -11.572 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 146 123.912 -15.518 2.589 1.00 0.00 H new ATOM 0 HH TYR A 146 124.190 -13.658 3.792 1.00 0.00 H new ATOM 2185 N ARG A 147 120.845 -17.513 -1.446 1.00 0.00 N ATOM 2186 CA ARG A 147 120.215 -18.405 -0.478 1.00 0.00 C ATOM 2187 C ARG A 147 121.272 -19.217 0.264 1.00 0.00 C ATOM 2188 O ARG A 147 122.243 -19.683 -0.332 1.00 0.00 O ATOM 2189 CB ARG A 147 119.255 -19.356 -1.196 1.00 0.00 C ATOM 2190 CG ARG A 147 118.140 -18.551 -1.864 1.00 0.00 C ATOM 2191 CD ARG A 147 117.167 -19.507 -2.559 1.00 0.00 C ATOM 2192 NE ARG A 147 116.420 -20.281 -1.563 1.00 0.00 N ATOM 2193 CZ ARG A 147 115.920 -21.503 -1.799 1.00 0.00 C ATOM 2194 NH1 ARG A 147 116.061 -22.106 -2.956 1.00 0.00 N ATOM 2195 NH2 ARG A 147 115.273 -22.115 -0.845 1.00 0.00 N ATOM 0 H ARG A 147 121.197 -17.977 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 147 119.662 -17.801 0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 147 119.795 -19.938 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 147 118.830 -20.065 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 147 117.612 -17.955 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.563 -17.855 -2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 147 116.476 -18.943 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 147 117.715 -20.181 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 147 116.273 -19.868 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 147 116.565 -21.645 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 147 115.667 -23.036 -3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 147 115.154 -21.664 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 147 114.886 -23.045 -1.006 1.00 0.00 H new ATOM 2209 N PHE A 148 121.074 -19.384 1.568 1.00 0.00 N ATOM 2210 CA PHE A 148 122.014 -20.145 2.382 1.00 0.00 C ATOM 2211 C PHE A 148 121.274 -20.959 3.438 1.00 0.00 C ATOM 2212 O PHE A 148 120.198 -20.541 3.831 1.00 0.00 O ATOM 2213 CB PHE A 148 122.998 -19.195 3.066 1.00 0.00 C ATOM 2214 CG PHE A 148 124.079 -19.907 3.847 1.00 0.00 C ATOM 2215 CD1 PHE A 148 125.238 -20.347 3.197 1.00 0.00 C ATOM 2216 CD2 PHE A 148 123.919 -20.127 5.220 1.00 0.00 C ATOM 2217 CE1 PHE A 148 126.238 -21.007 3.921 1.00 0.00 C ATOM 2218 CE2 PHE A 148 124.920 -20.788 5.944 1.00 0.00 C ATOM 2219 CZ PHE A 148 126.079 -21.227 5.294 1.00 0.00 C ATOM 2220 OXT PHE A 148 121.793 -21.988 3.837 1.00 0.00 O ATOM 0 H PHE A 148 120.277 -19.006 2.080 1.00 0.00 H new ATOM 0 HA PHE A 148 122.559 -20.828 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 148 123.464 -18.561 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 148 122.448 -18.537 3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 148 125.361 -20.177 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 148 123.025 -19.787 5.721 1.00 0.00 H new ATOM 0 HE1 PHE A 148 127.132 -21.347 3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 148 124.797 -20.959 7.003 1.00 0.00 H new ATOM 0 HZ PHE A 148 126.851 -21.736 5.852 1.00 0.00 H new TER 2230 PHE A 148