USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=45 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 12 SER OG : rot -118:sc= 1.18 USER MOD Set 1.2: A 139 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 127 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 129 GLN : amide:sc= -0.705 K(o=-0.71,f=-1.4) USER MOD Set 3.1: A 21 MET CE :methyl -136:sc= -0.848 (180deg=-1.85) USER MOD Set 3.2: A 46 THR OG1 : rot -114:sc= -0.809 USER MOD Set 4.1: A 6 THR OG1 : rot -29:sc= -0.671 USER MOD Set 4.2: A 27 LYS NZ :NH3+ -137:sc= 0.192 (180deg=-0.74) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.12) USER MOD Single : A 17 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.18) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.12 K(o=-2.1,f=-10!) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.29) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.691 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 56:sc= 1.21 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0479) 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 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.337 K(o=-0.34,f=-5.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.6) USER MOD Single : A 61 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.85) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.597 USER MOD Single : A 63 TYR OH : rot -64:sc= 0.0987 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0.111 (180deg=0.0584) USER MOD Single : A 91 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.22) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1.6) USER MOD Single : A 116 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.4) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.734 K(o=-0.73,f=-6.8!) USER MOD Single : A 126 SER OG : rot 21:sc= 1.23 USER MOD Single : A 130 SER OG : rot 33:sc= 0.139 USER MOD Single : A 134 SER OG : rot -64:sc= 1.26 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 116.079 -24.852 7.815 1.00 0.00 N ATOM 2 CA ALA A 1 116.041 -23.377 8.026 1.00 0.00 C ATOM 3 C ALA A 1 116.990 -22.700 7.042 1.00 0.00 C ATOM 4 O ALA A 1 118.209 -22.807 7.168 1.00 0.00 O ATOM 5 CB ALA A 1 116.463 -23.060 9.462 1.00 0.00 C ATOM 0 H1 ALA A 1 115.433 -25.315 8.485 1.00 0.00 H new ATOM 0 H2 ALA A 1 115.785 -25.071 6.842 1.00 0.00 H new ATOM 0 H3 ALA A 1 117.047 -25.200 7.971 1.00 0.00 H new ATOM 0 HA ALA A 1 115.030 -23.006 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 1 116.436 -21.982 9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 1 115.779 -23.545 10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.475 -23.427 9.633 1.00 0.00 H new ATOM 13 N THR A 2 116.420 -22.003 6.062 1.00 0.00 N ATOM 14 CA THR A 2 117.218 -21.311 5.051 1.00 0.00 C ATOM 15 C THR A 2 116.859 -19.830 5.014 1.00 0.00 C ATOM 16 O THR A 2 115.692 -19.461 5.147 1.00 0.00 O ATOM 17 CB THR A 2 116.970 -21.930 3.672 1.00 0.00 C ATOM 18 OG1 THR A 2 115.606 -21.755 3.316 1.00 0.00 O ATOM 19 CG2 THR A 2 117.306 -23.422 3.706 1.00 0.00 C ATOM 0 H THR A 2 115.412 -21.902 5.946 1.00 0.00 H new ATOM 0 HA THR A 2 118.271 -21.416 5.311 1.00 0.00 H new ATOM 0 HB THR A 2 117.605 -21.438 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 2 115.445 -22.149 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.128 -23.858 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 2 118.354 -23.553 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 2 116.676 -23.920 4.443 1.00 0.00 H new ATOM 27 N SER A 3 117.869 -18.983 4.834 1.00 0.00 N ATOM 28 CA SER A 3 117.653 -17.540 4.779 1.00 0.00 C ATOM 29 C SER A 3 118.304 -16.957 3.530 1.00 0.00 C ATOM 30 O SER A 3 119.290 -17.494 3.028 1.00 0.00 O ATOM 31 CB SER A 3 118.247 -16.876 6.022 1.00 0.00 C ATOM 32 OG SER A 3 119.661 -17.027 6.000 1.00 0.00 O ATOM 0 H SER A 3 118.842 -19.269 4.724 1.00 0.00 H new ATOM 0 HA SER A 3 116.580 -17.349 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 3 117.982 -15.819 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 117.835 -17.329 6.924 1.00 0.00 H new ATOM 0 HG SER A 3 120.048 -16.602 6.794 1.00 0.00 H new ATOM 38 N THR A 4 117.743 -15.858 3.031 1.00 0.00 N ATOM 39 CA THR A 4 118.269 -15.208 1.834 1.00 0.00 C ATOM 40 C THR A 4 118.451 -13.713 2.075 1.00 0.00 C ATOM 41 O THR A 4 117.561 -13.049 2.603 1.00 0.00 O ATOM 42 CB THR A 4 117.312 -15.424 0.659 1.00 0.00 C ATOM 43 OG1 THR A 4 117.057 -16.813 0.509 1.00 0.00 O ATOM 44 CG2 THR A 4 117.945 -14.879 -0.623 1.00 0.00 C ATOM 0 H THR A 4 116.926 -15.400 3.436 1.00 0.00 H new ATOM 0 HA THR A 4 119.238 -15.649 1.599 1.00 0.00 H new ATOM 0 HB THR A 4 116.376 -14.900 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 4 116.443 -16.954 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 4 117.263 -15.033 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 4 118.142 -13.813 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 4 118.881 -15.402 -0.817 1.00 0.00 H new ATOM 52 N VAL A 5 119.610 -13.186 1.685 1.00 0.00 N ATOM 53 CA VAL A 5 119.894 -11.763 1.860 1.00 0.00 C ATOM 54 C VAL A 5 120.025 -11.102 0.491 1.00 0.00 C ATOM 55 O VAL A 5 120.763 -11.591 -0.364 1.00 0.00 O ATOM 56 CB VAL A 5 121.193 -11.574 2.653 1.00 0.00 C ATOM 57 CG1 VAL A 5 121.434 -10.083 2.907 1.00 0.00 C ATOM 58 CG2 VAL A 5 121.087 -12.298 3.999 1.00 0.00 C ATOM 0 H VAL A 5 120.363 -13.718 1.249 1.00 0.00 H new ATOM 0 HA VAL A 5 119.076 -11.301 2.413 1.00 0.00 H new ATOM 0 HB VAL A 5 122.022 -11.986 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 5 122.358 -9.955 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 5 121.515 -9.560 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 5 120.601 -9.672 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 5 122.012 -12.161 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 5 120.253 -11.887 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 5 120.920 -13.361 3.828 1.00 0.00 H new ATOM 68 N THR A 6 119.292 -10.011 0.284 1.00 0.00 N ATOM 69 CA THR A 6 119.300 -9.325 -1.007 1.00 0.00 C ATOM 70 C THR A 6 119.507 -7.825 -0.822 1.00 0.00 C ATOM 71 O THR A 6 119.251 -7.276 0.249 1.00 0.00 O ATOM 72 CB THR A 6 117.969 -9.545 -1.742 1.00 0.00 C ATOM 73 OG1 THR A 6 116.947 -8.826 -1.068 1.00 0.00 O ATOM 74 CG2 THR A 6 117.578 -11.029 -1.802 1.00 0.00 C ATOM 0 H THR A 6 118.689 -9.585 0.987 1.00 0.00 H new ATOM 0 HA THR A 6 120.121 -9.738 -1.593 1.00 0.00 H new ATOM 0 HB THR A 6 118.090 -9.190 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 6 117.169 -8.757 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 6 116.631 -11.135 -2.331 1.00 0.00 H new ATOM 0 HG22 THR A 6 118.352 -11.588 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 6 117.474 -11.419 -0.790 1.00 0.00 H new ATOM 82 N GLY A 7 119.968 -7.169 -1.882 1.00 0.00 N ATOM 83 CA GLY A 7 120.045 -5.713 -1.905 1.00 0.00 C ATOM 84 C GLY A 7 119.774 -5.220 -3.320 1.00 0.00 C ATOM 85 O GLY A 7 120.067 -5.933 -4.279 1.00 0.00 O ATOM 0 H GLY A 7 120.294 -7.622 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 7 119.318 -5.287 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 121.030 -5.384 -1.575 1.00 0.00 H new ATOM 89 N GLY A 8 119.223 -4.015 -3.452 1.00 0.00 N ATOM 90 CA GLY A 8 118.874 -3.508 -4.775 1.00 0.00 C ATOM 91 C GLY A 8 118.836 -1.986 -4.814 1.00 0.00 C ATOM 92 O GLY A 8 118.881 -1.323 -3.780 1.00 0.00 O ATOM 0 H GLY A 8 119.013 -3.385 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 8 119.598 -3.871 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 8 117.901 -3.902 -5.069 1.00 0.00 H new ATOM 96 N TYR A 9 118.729 -1.456 -6.028 1.00 0.00 N ATOM 97 CA TYR A 9 118.681 -0.013 -6.240 1.00 0.00 C ATOM 98 C TYR A 9 117.358 0.358 -6.899 1.00 0.00 C ATOM 99 O TYR A 9 116.824 -0.413 -7.698 1.00 0.00 O ATOM 100 CB TYR A 9 119.842 0.415 -7.140 1.00 0.00 C ATOM 101 CG TYR A 9 121.188 -0.072 -6.656 1.00 0.00 C ATOM 102 CD1 TYR A 9 121.835 0.586 -5.603 1.00 0.00 C ATOM 103 CD2 TYR A 9 121.789 -1.184 -7.260 1.00 0.00 C ATOM 104 CE1 TYR A 9 123.080 0.133 -5.153 1.00 0.00 C ATOM 105 CE2 TYR A 9 123.035 -1.637 -6.810 1.00 0.00 C ATOM 106 CZ TYR A 9 123.681 -0.978 -5.757 1.00 0.00 C ATOM 107 OH TYR A 9 124.909 -1.425 -5.313 1.00 0.00 O ATOM 0 H TYR A 9 118.674 -2.007 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 9 118.765 0.497 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 9 119.669 0.038 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 9 119.860 1.503 -7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 9 121.373 1.444 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 9 121.291 -1.692 -8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 9 123.577 0.640 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 9 123.498 -2.495 -7.275 1.00 0.00 H new ATOM 0 HH TYR A 9 125.183 -2.205 -5.839 1.00 0.00 H new ATOM 117 N ALA A 10 116.804 1.512 -6.530 1.00 0.00 N ATOM 118 CA ALA A 10 115.542 1.957 -7.112 1.00 0.00 C ATOM 119 C ALA A 10 115.565 3.454 -7.403 1.00 0.00 C ATOM 120 O ALA A 10 116.156 4.232 -6.655 1.00 0.00 O ATOM 121 CB ALA A 10 114.391 1.644 -6.156 1.00 0.00 C ATOM 0 H ALA A 10 117.204 2.148 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 10 115.399 1.425 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 10 113.451 1.979 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 10 114.347 0.569 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 10 114.553 2.161 -5.210 1.00 0.00 H new ATOM 127 N GLN A 11 114.913 3.840 -8.496 1.00 0.00 N ATOM 128 CA GLN A 11 114.742 5.249 -8.837 1.00 0.00 C ATOM 129 C GLN A 11 113.254 5.552 -8.976 1.00 0.00 C ATOM 130 O GLN A 11 112.505 4.741 -9.519 1.00 0.00 O ATOM 131 CB GLN A 11 115.458 5.564 -10.151 1.00 0.00 C ATOM 132 CG GLN A 11 116.964 5.347 -9.977 1.00 0.00 C ATOM 133 CD GLN A 11 117.695 5.567 -11.299 1.00 0.00 C ATOM 134 OE1 GLN A 11 117.084 5.547 -12.369 1.00 0.00 O ATOM 135 NE2 GLN A 11 118.983 5.778 -11.291 1.00 0.00 N ATOM 0 H GLN A 11 114.493 3.193 -9.164 1.00 0.00 H new ATOM 0 HA GLN A 11 115.172 5.866 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 11 115.077 4.924 -10.947 1.00 0.00 H new ATOM 0 HB3 GLN A 11 115.260 6.594 -10.447 1.00 0.00 H new ATOM 0 HG2 GLN A 11 117.351 6.032 -9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 11 117.152 4.336 -9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 11 119.491 5.795 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 11 119.481 5.926 -12.169 1.00 0.00 H new ATOM 144 N SER A 12 112.821 6.714 -8.487 1.00 0.00 N ATOM 145 CA SER A 12 111.397 7.038 -8.475 1.00 0.00 C ATOM 146 C SER A 12 111.124 8.328 -9.238 1.00 0.00 C ATOM 147 O SER A 12 111.890 9.286 -9.145 1.00 0.00 O ATOM 148 CB SER A 12 110.920 7.197 -7.031 1.00 0.00 C ATOM 149 OG SER A 12 111.221 6.012 -6.306 1.00 0.00 O ATOM 0 H SER A 12 113.427 7.437 -8.099 1.00 0.00 H new ATOM 0 HA SER A 12 110.857 6.225 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 12 111.407 8.055 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 109.847 7.389 -7.009 1.00 0.00 H new ATOM 0 HG SER A 12 110.389 5.600 -5.993 1.00 0.00 H new ATOM 155 N ASP A 13 110.012 8.340 -9.967 1.00 0.00 N ATOM 156 CA ASP A 13 109.577 9.530 -10.684 1.00 0.00 C ATOM 157 C ASP A 13 108.367 10.114 -9.967 1.00 0.00 C ATOM 158 O ASP A 13 107.476 9.372 -9.556 1.00 0.00 O ATOM 159 CB ASP A 13 109.219 9.181 -12.134 1.00 0.00 C ATOM 160 CG ASP A 13 108.052 8.194 -12.193 1.00 0.00 C ATOM 161 OD1 ASP A 13 107.881 7.438 -11.249 1.00 0.00 O ATOM 162 OD2 ASP A 13 107.343 8.210 -13.185 1.00 0.00 O ATOM 0 H ASP A 13 109.395 7.535 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 13 110.384 10.262 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 13 108.958 10.090 -12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 13 110.088 8.751 -12.633 1.00 0.00 H new ATOM 167 N ALA A 14 108.336 11.432 -9.814 1.00 0.00 N ATOM 168 CA ALA A 14 107.287 12.079 -9.036 1.00 0.00 C ATOM 169 C ALA A 14 106.527 13.085 -9.890 1.00 0.00 C ATOM 170 O ALA A 14 107.041 14.152 -10.227 1.00 0.00 O ATOM 171 CB ALA A 14 107.906 12.785 -7.831 1.00 0.00 C ATOM 0 H ALA A 14 109.022 12.071 -10.216 1.00 0.00 H new ATOM 0 HA ALA A 14 106.586 11.318 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 14 107.121 13.269 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.422 12.055 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 14 108.617 13.536 -8.175 1.00 0.00 H new ATOM 177 N GLN A 15 105.296 12.728 -10.230 1.00 0.00 N ATOM 178 CA GLN A 15 104.429 13.625 -10.981 1.00 0.00 C ATOM 179 C GLN A 15 103.830 14.661 -10.038 1.00 0.00 C ATOM 180 O GLN A 15 103.151 14.315 -9.067 1.00 0.00 O ATOM 181 CB GLN A 15 103.310 12.832 -11.659 1.00 0.00 C ATOM 182 CG GLN A 15 102.501 13.761 -12.568 1.00 0.00 C ATOM 183 CD GLN A 15 103.298 14.079 -13.829 1.00 0.00 C ATOM 184 OE1 GLN A 15 103.587 13.186 -14.624 1.00 0.00 O ATOM 185 NE2 GLN A 15 103.672 15.308 -14.061 1.00 0.00 N ATOM 0 H GLN A 15 104.877 11.827 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 15 105.016 14.129 -11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 15 103.732 12.013 -12.242 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.660 12.385 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.555 13.290 -12.835 1.00 0.00 H new ATOM 0 HG3 GLN A 15 102.260 14.682 -12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.432 16.047 -13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.205 15.529 -14.902 1.00 0.00 H new ATOM 194 N GLY A 16 104.088 15.926 -10.355 1.00 0.00 N ATOM 195 CA GLY A 16 103.678 17.047 -9.509 1.00 0.00 C ATOM 196 C GLY A 16 104.795 17.515 -8.562 1.00 0.00 C ATOM 197 O GLY A 16 104.701 18.600 -7.989 1.00 0.00 O ATOM 0 H GLY A 16 104.585 16.205 -11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.370 17.880 -10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.808 16.754 -8.921 1.00 0.00 H new ATOM 201 N GLN A 17 105.847 16.710 -8.395 1.00 0.00 N ATOM 202 CA GLN A 17 107.028 17.124 -7.643 1.00 0.00 C ATOM 203 C GLN A 17 108.238 17.162 -8.575 1.00 0.00 C ATOM 204 O GLN A 17 108.338 16.352 -9.498 1.00 0.00 O ATOM 205 CB GLN A 17 107.275 16.152 -6.487 1.00 0.00 C ATOM 206 CG GLN A 17 108.365 16.700 -5.561 1.00 0.00 C ATOM 207 CD GLN A 17 107.818 17.866 -4.743 1.00 0.00 C ATOM 208 OE1 GLN A 17 106.904 17.686 -3.938 1.00 0.00 O ATOM 209 NE2 GLN A 17 108.326 19.057 -4.903 1.00 0.00 N ATOM 0 H GLN A 17 105.902 15.764 -8.773 1.00 0.00 H new ATOM 0 HA GLN A 17 106.867 18.120 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 17 106.353 16.001 -5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 17 107.574 15.179 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 17 108.718 15.912 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 17 109.222 17.028 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 17 109.083 19.203 -5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.966 19.842 -4.360 1.00 0.00 H new ATOM 218 N MET A 18 109.153 18.096 -8.338 1.00 0.00 N ATOM 219 CA MET A 18 110.344 18.211 -9.173 1.00 0.00 C ATOM 220 C MET A 18 111.455 17.293 -8.672 1.00 0.00 C ATOM 221 O MET A 18 111.431 16.842 -7.526 1.00 0.00 O ATOM 222 CB MET A 18 110.841 19.659 -9.177 1.00 0.00 C ATOM 223 CG MET A 18 109.811 20.552 -9.870 1.00 0.00 C ATOM 224 SD MET A 18 110.454 22.240 -9.982 1.00 0.00 S ATOM 225 CE MET A 18 108.978 23.000 -10.701 1.00 0.00 C ATOM 0 H MET A 18 109.095 18.779 -7.582 1.00 0.00 H new ATOM 0 HA MET A 18 110.077 17.912 -10.186 1.00 0.00 H new ATOM 0 HB2 MET A 18 111.005 20.001 -8.155 1.00 0.00 H new ATOM 0 HB3 MET A 18 111.799 19.724 -9.692 1.00 0.00 H new ATOM 0 HG2 MET A 18 109.593 20.168 -10.866 1.00 0.00 H new ATOM 0 HG3 MET A 18 108.874 20.545 -9.313 1.00 0.00 H new ATOM 0 HE1 MET A 18 109.156 24.064 -10.858 1.00 0.00 H new ATOM 0 HE2 MET A 18 108.753 22.525 -11.656 1.00 0.00 H new ATOM 0 HE3 MET A 18 108.135 22.869 -10.023 1.00 0.00 H new ATOM 235 N ASN A 19 112.413 17.006 -9.551 1.00 0.00 N ATOM 236 CA ASN A 19 113.577 16.194 -9.201 1.00 0.00 C ATOM 237 C ASN A 19 113.190 14.748 -8.899 1.00 0.00 C ATOM 238 O ASN A 19 112.216 14.485 -8.195 1.00 0.00 O ATOM 239 CB ASN A 19 114.313 16.791 -7.996 1.00 0.00 C ATOM 240 CG ASN A 19 114.650 18.255 -8.256 1.00 0.00 C ATOM 241 OD1 ASN A 19 114.438 19.105 -7.392 1.00 0.00 O ATOM 242 ND2 ASN A 19 115.165 18.602 -9.404 1.00 0.00 N ATOM 0 H ASN A 19 112.405 17.327 -10.519 1.00 0.00 H new ATOM 0 HA ASN A 19 114.239 16.196 -10.067 1.00 0.00 H new ATOM 0 HB2 ASN A 19 113.693 16.706 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 19 115.227 16.229 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 19 115.393 19.579 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 19 115.340 17.896 -10.119 1.00 0.00 H new ATOM 249 N LYS A 20 113.971 13.818 -9.445 1.00 0.00 N ATOM 250 CA LYS A 20 113.756 12.394 -9.206 1.00 0.00 C ATOM 251 C LYS A 20 114.448 11.966 -7.915 1.00 0.00 C ATOM 252 O LYS A 20 115.328 12.667 -7.416 1.00 0.00 O ATOM 253 CB LYS A 20 114.304 11.576 -10.377 1.00 0.00 C ATOM 254 CG LYS A 20 113.597 11.992 -11.669 1.00 0.00 C ATOM 255 CD LYS A 20 113.949 11.013 -12.792 1.00 0.00 C ATOM 256 CE LYS A 20 115.444 11.103 -13.107 1.00 0.00 C ATOM 257 NZ LYS A 20 115.743 10.305 -14.329 1.00 0.00 N ATOM 0 H LYS A 20 114.760 14.027 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 20 112.685 12.215 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 20 115.379 11.733 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 20 114.152 10.512 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 20 112.518 12.009 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 20 113.895 13.002 -11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 20 113.691 9.996 -12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 20 113.365 11.243 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 20 115.732 12.143 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 20 116.027 10.731 -12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 116.759 10.366 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 115.482 9.311 -14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 115.197 10.680 -15.131 1.00 0.00 H new ATOM 271 N MET A 21 114.051 10.814 -7.374 1.00 0.00 N ATOM 272 CA MET A 21 114.585 10.357 -6.092 1.00 0.00 C ATOM 273 C MET A 21 115.370 9.064 -6.273 1.00 0.00 C ATOM 274 O MET A 21 115.060 8.266 -7.155 1.00 0.00 O ATOM 275 CB MET A 21 113.436 10.118 -5.109 1.00 0.00 C ATOM 276 CG MET A 21 112.691 11.432 -4.866 1.00 0.00 C ATOM 277 SD MET A 21 111.488 11.206 -3.533 1.00 0.00 S ATOM 278 CE MET A 21 112.675 11.121 -2.169 1.00 0.00 C ATOM 0 H MET A 21 113.368 10.186 -7.799 1.00 0.00 H new ATOM 0 HA MET A 21 115.251 11.125 -5.700 1.00 0.00 H new ATOM 0 HB2 MET A 21 112.752 9.368 -5.507 1.00 0.00 H new ATOM 0 HB3 MET A 21 113.824 9.728 -4.168 1.00 0.00 H new ATOM 0 HG2 MET A 21 113.397 12.220 -4.603 1.00 0.00 H new ATOM 0 HG3 MET A 21 112.184 11.749 -5.778 1.00 0.00 H new ATOM 0 HE1 MET A 21 112.400 10.307 -1.498 1.00 0.00 H new ATOM 0 HE2 MET A 21 113.674 10.942 -2.567 1.00 0.00 H new ATOM 0 HE3 MET A 21 112.667 12.063 -1.620 1.00 0.00 H new ATOM 288 N GLY A 22 116.375 8.855 -5.427 1.00 0.00 N ATOM 289 CA GLY A 22 117.186 7.641 -5.501 1.00 0.00 C ATOM 290 C GLY A 22 117.309 7.007 -4.122 1.00 0.00 C ATOM 291 O GLY A 22 117.484 7.717 -3.133 1.00 0.00 O ATOM 0 H GLY A 22 116.647 9.504 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 22 116.733 6.934 -6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 22 118.176 7.879 -5.890 1.00 0.00 H new ATOM 295 N GLY A 23 117.202 5.682 -4.055 1.00 0.00 N ATOM 296 CA GLY A 23 117.246 5.001 -2.766 1.00 0.00 C ATOM 297 C GLY A 23 117.787 3.582 -2.881 1.00 0.00 C ATOM 298 O GLY A 23 117.904 3.028 -3.974 1.00 0.00 O ATOM 0 H GLY A 23 117.086 5.069 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 23 117.870 5.571 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 116.244 4.972 -2.338 1.00 0.00 H new ATOM 302 N PHE A 24 118.083 2.998 -1.723 1.00 0.00 N ATOM 303 CA PHE A 24 118.594 1.635 -1.651 1.00 0.00 C ATOM 304 C PHE A 24 117.644 0.791 -0.808 1.00 0.00 C ATOM 305 O PHE A 24 116.981 1.318 0.085 1.00 0.00 O ATOM 306 CB PHE A 24 119.985 1.636 -1.012 1.00 0.00 C ATOM 307 CG PHE A 24 120.975 2.520 -1.733 1.00 0.00 C ATOM 308 CD1 PHE A 24 121.107 3.864 -1.365 1.00 0.00 C ATOM 309 CD2 PHE A 24 121.760 1.997 -2.766 1.00 0.00 C ATOM 310 CE1 PHE A 24 122.025 4.685 -2.032 1.00 0.00 C ATOM 311 CE2 PHE A 24 122.678 2.817 -3.433 1.00 0.00 C ATOM 312 CZ PHE A 24 122.810 4.162 -3.066 1.00 0.00 C ATOM 0 H PHE A 24 117.976 3.453 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 24 118.665 1.218 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 24 119.901 1.966 0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 24 120.368 0.616 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 24 120.501 4.268 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 24 121.658 0.960 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 24 122.127 5.722 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 24 123.284 2.413 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 24 123.517 4.795 -3.581 1.00 0.00 H new ATOM 322 N ASN A 25 117.564 -0.506 -1.098 1.00 0.00 N ATOM 323 CA ASN A 25 116.634 -1.380 -0.385 1.00 0.00 C ATOM 324 C ASN A 25 117.316 -2.673 0.047 1.00 0.00 C ATOM 325 O ASN A 25 118.086 -3.257 -0.714 1.00 0.00 O ATOM 326 CB ASN A 25 115.448 -1.713 -1.293 1.00 0.00 C ATOM 327 CG ASN A 25 114.270 -2.240 -0.476 1.00 0.00 C ATOM 328 OD1 ASN A 25 114.423 -2.603 0.692 1.00 0.00 O ATOM 329 ND2 ASN A 25 113.089 -2.304 -1.028 1.00 0.00 N ATOM 0 H ASN A 25 118.124 -0.971 -1.812 1.00 0.00 H new ATOM 0 HA ASN A 25 116.289 -0.857 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 25 115.145 -0.823 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 25 115.747 -2.458 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 25 112.294 -2.654 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 25 112.961 -2.004 -1.994 1.00 0.00 H new ATOM 336 N LEU A 26 117.034 -3.103 1.275 1.00 0.00 N ATOM 337 CA LEU A 26 117.542 -4.375 1.780 1.00 0.00 C ATOM 338 C LEU A 26 116.371 -5.236 2.242 1.00 0.00 C ATOM 339 O LEU A 26 115.464 -4.740 2.911 1.00 0.00 O ATOM 340 CB LEU A 26 118.499 -4.128 2.949 1.00 0.00 C ATOM 341 CG LEU A 26 119.162 -5.444 3.360 1.00 0.00 C ATOM 342 CD1 LEU A 26 120.308 -5.768 2.397 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.710 -5.311 4.782 1.00 0.00 C ATOM 0 H LEU A 26 116.456 -2.588 1.939 1.00 0.00 H new ATOM 0 HA LEU A 26 118.082 -4.891 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 26 119.259 -3.401 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.955 -3.704 3.793 1.00 0.00 H new ATOM 0 HG LEU A 26 118.427 -6.248 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.778 -6.706 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.917 -5.862 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 26 121.046 -4.967 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.183 -6.247 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.445 -4.506 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 26 118.893 -5.085 5.467 1.00 0.00 H new ATOM 355 N LYS A 27 116.383 -6.522 1.893 1.00 0.00 N ATOM 356 CA LYS A 27 115.240 -7.389 2.186 1.00 0.00 C ATOM 357 C LYS A 27 115.675 -8.688 2.859 1.00 0.00 C ATOM 358 O LYS A 27 116.718 -9.255 2.532 1.00 0.00 O ATOM 359 CB LYS A 27 114.488 -7.712 0.891 1.00 0.00 C ATOM 360 CG LYS A 27 114.039 -6.412 0.215 1.00 0.00 C ATOM 361 CD LYS A 27 113.069 -6.721 -0.927 1.00 0.00 C ATOM 362 CE LYS A 27 113.784 -7.527 -2.015 1.00 0.00 C ATOM 363 NZ LYS A 27 114.951 -6.752 -2.521 1.00 0.00 N ATOM 0 H LYS A 27 117.158 -6.982 1.415 1.00 0.00 H new ATOM 0 HA LYS A 27 114.586 -6.854 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.131 -8.280 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 27 113.622 -8.338 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.558 -5.761 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 27 114.906 -5.875 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 27 112.215 -7.283 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.680 -5.793 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 27 114.116 -8.485 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 27 113.096 -7.745 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 114.990 -6.821 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 114.852 -5.754 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 115.827 -7.138 -2.115 1.00 0.00 H new ATOM 377 N TYR A 28 114.858 -9.148 3.805 1.00 0.00 N ATOM 378 CA TYR A 28 115.107 -10.412 4.494 1.00 0.00 C ATOM 379 C TYR A 28 113.912 -11.345 4.324 1.00 0.00 C ATOM 380 O TYR A 28 112.766 -10.899 4.387 1.00 0.00 O ATOM 381 CB TYR A 28 115.343 -10.166 5.985 1.00 0.00 C ATOM 382 CG TYR A 28 116.582 -9.354 6.280 1.00 0.00 C ATOM 383 CD1 TYR A 28 116.506 -7.959 6.352 1.00 0.00 C ATOM 384 CD2 TYR A 28 117.807 -10.000 6.487 1.00 0.00 C ATOM 385 CE1 TYR A 28 117.655 -7.209 6.631 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.955 -9.251 6.765 1.00 0.00 C ATOM 387 CZ TYR A 28 118.880 -7.854 6.837 1.00 0.00 C ATOM 388 OH TYR A 28 120.012 -7.116 7.115 1.00 0.00 O ATOM 0 H TYR A 28 114.015 -8.662 4.112 1.00 0.00 H new ATOM 0 HA TYR A 28 115.994 -10.872 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.476 -9.653 6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.419 -11.126 6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.561 -7.461 6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 28 117.865 -11.077 6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 28 117.596 -6.132 6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 28 119.900 -9.750 6.924 1.00 0.00 H new ATOM 0 HH TYR A 28 120.775 -7.719 7.231 1.00 0.00 H new ATOM 398 N ARG A 29 114.182 -12.631 4.096 1.00 0.00 N ATOM 399 CA ARG A 29 113.116 -13.617 3.926 1.00 0.00 C ATOM 400 C ARG A 29 113.348 -14.840 4.811 1.00 0.00 C ATOM 401 O ARG A 29 114.478 -15.304 4.960 1.00 0.00 O ATOM 402 CB ARG A 29 113.037 -14.054 2.461 1.00 0.00 C ATOM 403 CG ARG A 29 112.629 -12.862 1.593 1.00 0.00 C ATOM 404 CD ARG A 29 112.412 -13.323 0.150 1.00 0.00 C ATOM 405 NE ARG A 29 113.619 -13.974 -0.368 1.00 0.00 N ATOM 406 CZ ARG A 29 113.606 -14.860 -1.376 1.00 0.00 C ATOM 407 NH1 ARG A 29 112.499 -15.216 -1.982 1.00 0.00 N ATOM 408 NH2 ARG A 29 114.735 -15.386 -1.768 1.00 0.00 N ATOM 0 H ARG A 29 115.125 -13.012 4.025 1.00 0.00 H new ATOM 0 HA ARG A 29 112.176 -13.151 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 29 114.002 -14.442 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 29 112.314 -14.862 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 29 111.715 -12.412 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 29 113.402 -12.094 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 29 111.571 -14.015 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 29 112.155 -12.469 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 29 114.515 -13.742 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 29 111.607 -14.816 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 29 112.530 -15.893 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 29 115.607 -15.122 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 29 114.745 -16.061 -2.533 1.00 0.00 H new ATOM 422 N TYR A 30 112.267 -15.357 5.396 1.00 0.00 N ATOM 423 CA TYR A 30 112.352 -16.533 6.262 1.00 0.00 C ATOM 424 C TYR A 30 111.365 -17.609 5.811 1.00 0.00 C ATOM 425 O TYR A 30 110.250 -17.300 5.392 1.00 0.00 O ATOM 426 CB TYR A 30 112.048 -16.136 7.707 1.00 0.00 C ATOM 427 CG TYR A 30 112.999 -15.097 8.255 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.174 -15.496 8.903 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.705 -13.736 8.114 1.00 0.00 C ATOM 430 CE1 TYR A 30 115.055 -14.534 9.410 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.586 -12.773 8.621 1.00 0.00 C ATOM 432 CZ TYR A 30 114.761 -13.172 9.269 1.00 0.00 C ATOM 433 OH TYR A 30 115.630 -12.223 9.768 1.00 0.00 O ATOM 0 H TYR A 30 111.325 -14.981 5.286 1.00 0.00 H new ATOM 0 HA TYR A 30 113.363 -16.935 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 30 111.029 -15.752 7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 30 112.090 -17.025 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.401 -16.546 9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.798 -13.428 7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 30 115.961 -14.842 9.910 1.00 0.00 H new ATOM 0 HE2 TYR A 30 113.359 -11.723 8.512 1.00 0.00 H new ATOM 0 HH TYR A 30 115.277 -11.327 9.585 1.00 0.00 H new ATOM 443 N GLU A 31 111.783 -18.871 5.896 1.00 0.00 N ATOM 444 CA GLU A 31 110.931 -19.987 5.486 1.00 0.00 C ATOM 445 C GLU A 31 110.894 -21.070 6.562 1.00 0.00 C ATOM 446 O GLU A 31 111.884 -21.301 7.256 1.00 0.00 O ATOM 447 CB GLU A 31 111.458 -20.581 4.177 1.00 0.00 C ATOM 448 CG GLU A 31 110.464 -21.620 3.643 1.00 0.00 C ATOM 449 CD GLU A 31 110.983 -22.312 2.378 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.089 -22.020 1.945 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.254 -23.137 1.852 1.00 0.00 O ATOM 0 H GLU A 31 112.702 -19.146 6.243 1.00 0.00 H new ATOM 0 HA GLU A 31 109.918 -19.612 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.603 -19.791 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 112.430 -21.045 4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.272 -22.368 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.513 -21.134 3.426 1.00 0.00 H new ATOM 458 N GLU A 32 109.746 -21.733 6.695 1.00 0.00 N ATOM 459 CA GLU A 32 109.606 -22.821 7.659 1.00 0.00 C ATOM 460 C GLU A 32 109.859 -24.164 6.977 1.00 0.00 C ATOM 461 O GLU A 32 109.539 -24.343 5.802 1.00 0.00 O ATOM 462 CB GLU A 32 108.204 -22.808 8.269 1.00 0.00 C ATOM 463 CG GLU A 32 107.983 -21.490 9.019 1.00 0.00 C ATOM 464 CD GLU A 32 106.623 -21.457 9.724 1.00 0.00 C ATOM 465 OE1 GLU A 32 105.804 -22.332 9.485 1.00 0.00 O ATOM 466 OE2 GLU A 32 106.418 -20.543 10.505 1.00 0.00 O ATOM 0 H GLU A 32 108.906 -21.537 6.151 1.00 0.00 H new ATOM 0 HA GLU A 32 110.340 -22.680 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 32 107.454 -22.923 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 32 108.085 -23.650 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.776 -21.352 9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 32 108.049 -20.658 8.318 1.00 0.00 H new ATOM 473 N ASP A 33 110.434 -25.106 7.719 1.00 0.00 N ATOM 474 CA ASP A 33 110.854 -26.375 7.132 1.00 0.00 C ATOM 475 C ASP A 33 109.677 -27.277 6.759 1.00 0.00 C ATOM 476 O ASP A 33 109.663 -27.851 5.669 1.00 0.00 O ATOM 477 CB ASP A 33 111.778 -27.115 8.105 1.00 0.00 C ATOM 478 CG ASP A 33 111.031 -27.490 9.383 1.00 0.00 C ATOM 479 OD1 ASP A 33 110.138 -26.753 9.768 1.00 0.00 O ATOM 480 OD2 ASP A 33 111.365 -28.512 9.959 1.00 0.00 O ATOM 0 H ASP A 33 110.619 -25.017 8.718 1.00 0.00 H new ATOM 0 HA ASP A 33 111.383 -26.138 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 33 112.169 -28.015 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 33 112.634 -26.486 8.350 1.00 0.00 H new ATOM 485 N ASN A 34 108.692 -27.409 7.649 1.00 0.00 N ATOM 486 CA ASN A 34 107.581 -28.335 7.404 1.00 0.00 C ATOM 487 C ASN A 34 106.282 -27.635 6.983 1.00 0.00 C ATOM 488 O ASN A 34 105.355 -28.294 6.513 1.00 0.00 O ATOM 489 CB ASN A 34 107.313 -29.147 8.672 1.00 0.00 C ATOM 490 CG ASN A 34 108.575 -29.897 9.087 1.00 0.00 C ATOM 491 OD1 ASN A 34 108.955 -29.876 10.258 1.00 0.00 O ATOM 492 ND2 ASN A 34 109.251 -30.565 8.193 1.00 0.00 N ATOM 0 H ASN A 34 108.638 -26.898 8.530 1.00 0.00 H new ATOM 0 HA ASN A 34 107.885 -28.974 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 34 106.992 -28.485 9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 34 106.501 -29.853 8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 34 110.095 -31.070 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 34 108.936 -30.582 7.223 1.00 0.00 H new ATOM 499 N SER A 35 106.208 -26.317 7.145 1.00 0.00 N ATOM 500 CA SER A 35 105.033 -25.565 6.716 1.00 0.00 C ATOM 501 C SER A 35 105.456 -24.168 6.252 1.00 0.00 C ATOM 502 O SER A 35 105.242 -23.187 6.970 1.00 0.00 O ATOM 503 CB SER A 35 104.022 -25.475 7.863 1.00 0.00 C ATOM 504 OG SER A 35 102.719 -25.305 7.324 1.00 0.00 O ATOM 0 H SER A 35 106.943 -25.750 7.568 1.00 0.00 H new ATOM 0 HA SER A 35 104.558 -26.079 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 35 104.062 -26.379 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 35 104.270 -24.639 8.518 1.00 0.00 H new ATOM 0 HG SER A 35 102.068 -25.248 8.054 1.00 0.00 H new ATOM 510 N PRO A 36 106.038 -24.045 5.077 1.00 0.00 N ATOM 511 CA PRO A 36 106.667 -22.754 4.669 1.00 0.00 C ATOM 512 C PRO A 36 105.651 -21.677 4.304 1.00 0.00 C ATOM 513 O PRO A 36 104.688 -21.919 3.576 1.00 0.00 O ATOM 514 CB PRO A 36 107.516 -23.132 3.454 1.00 0.00 C ATOM 515 CG PRO A 36 106.842 -24.320 2.858 1.00 0.00 C ATOM 516 CD PRO A 36 106.157 -25.059 4.008 1.00 0.00 C ATOM 0 HA PRO A 36 107.240 -22.318 5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 36 107.569 -22.310 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 36 108.540 -23.366 3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.114 -24.015 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 36 107.565 -24.965 2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 36 105.180 -25.439 3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 36 106.746 -25.916 4.336 1.00 0.00 H new ATOM 524 N LEU A 37 105.900 -20.484 4.828 1.00 0.00 N ATOM 525 CA LEU A 37 105.169 -19.281 4.450 1.00 0.00 C ATOM 526 C LEU A 37 106.189 -18.232 4.031 1.00 0.00 C ATOM 527 O LEU A 37 107.193 -18.064 4.728 1.00 0.00 O ATOM 528 CB LEU A 37 104.345 -18.761 5.632 1.00 0.00 C ATOM 529 CG LEU A 37 103.399 -19.855 6.132 1.00 0.00 C ATOM 530 CD1 LEU A 37 102.667 -19.363 7.382 1.00 0.00 C ATOM 531 CD2 LEU A 37 102.371 -20.181 5.045 1.00 0.00 C ATOM 0 H LEU A 37 106.620 -20.322 5.532 1.00 0.00 H new ATOM 0 HA LEU A 37 104.483 -19.501 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 105.008 -18.446 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 37 103.773 -17.884 5.329 1.00 0.00 H new ATOM 0 HG LEU A 37 103.976 -20.749 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 37 101.993 -20.142 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 37 103.393 -19.127 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 37 102.093 -18.469 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 37 101.698 -20.960 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.796 -19.286 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 37 102.886 -20.529 4.150 1.00 0.00 H new ATOM 543 N GLY A 38 105.953 -17.527 2.923 1.00 0.00 N ATOM 544 CA GLY A 38 106.964 -16.606 2.425 1.00 0.00 C ATOM 545 C GLY A 38 106.711 -15.217 2.983 1.00 0.00 C ATOM 546 O GLY A 38 105.687 -14.602 2.702 1.00 0.00 O ATOM 0 H GLY A 38 105.097 -17.575 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.957 -16.949 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.941 -16.580 1.336 1.00 0.00 H new ATOM 550 N VAL A 39 107.657 -14.721 3.772 1.00 0.00 N ATOM 551 CA VAL A 39 107.532 -13.387 4.348 1.00 0.00 C ATOM 552 C VAL A 39 108.749 -12.567 3.959 1.00 0.00 C ATOM 553 O VAL A 39 109.884 -13.016 4.106 1.00 0.00 O ATOM 554 CB VAL A 39 107.432 -13.474 5.876 1.00 0.00 C ATOM 555 CG1 VAL A 39 107.211 -12.076 6.459 1.00 0.00 C ATOM 556 CG2 VAL A 39 106.254 -14.370 6.269 1.00 0.00 C ATOM 0 H VAL A 39 108.511 -15.217 4.026 1.00 0.00 H new ATOM 0 HA VAL A 39 106.627 -12.912 3.968 1.00 0.00 H new ATOM 0 HB VAL A 39 108.358 -13.894 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 39 107.140 -12.142 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 39 108.048 -11.432 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 39 106.287 -11.657 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 39 106.188 -14.428 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 39 105.330 -13.951 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 39 106.405 -15.369 5.861 1.00 0.00 H new ATOM 566 N ILE A 40 108.504 -11.364 3.461 1.00 0.00 N ATOM 567 CA ILE A 40 109.587 -10.464 3.084 1.00 0.00 C ATOM 568 C ILE A 40 109.402 -9.117 3.772 1.00 0.00 C ATOM 569 O ILE A 40 108.301 -8.567 3.783 1.00 0.00 O ATOM 570 CB ILE A 40 109.607 -10.302 1.558 1.00 0.00 C ATOM 571 CG1 ILE A 40 110.771 -9.397 1.144 1.00 0.00 C ATOM 572 CG2 ILE A 40 108.289 -9.690 1.076 1.00 0.00 C ATOM 573 CD1 ILE A 40 111.117 -9.650 -0.325 1.00 0.00 C ATOM 0 H ILE A 40 107.568 -10.988 3.308 1.00 0.00 H new ATOM 0 HA ILE A 40 110.542 -10.881 3.403 1.00 0.00 H new ATOM 0 HB ILE A 40 109.733 -11.285 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.502 -8.351 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 40 111.640 -9.594 1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 40 108.314 -9.580 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 40 107.461 -10.342 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 40 108.152 -8.712 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 40 111.945 -9.006 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 40 111.404 -10.693 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.249 -9.431 -0.946 1.00 0.00 H new ATOM 585 N GLY A 41 110.479 -8.622 4.372 1.00 0.00 N ATOM 586 CA GLY A 41 110.475 -7.292 4.974 1.00 0.00 C ATOM 587 C GLY A 41 111.550 -6.444 4.314 1.00 0.00 C ATOM 588 O GLY A 41 112.693 -6.882 4.192 1.00 0.00 O ATOM 0 H GLY A 41 111.365 -9.120 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 41 109.498 -6.825 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 41 110.658 -7.364 6.046 1.00 0.00 H new ATOM 592 N SER A 42 111.181 -5.242 3.879 1.00 0.00 N ATOM 593 CA SER A 42 112.102 -4.395 3.124 1.00 0.00 C ATOM 594 C SER A 42 112.243 -3.022 3.769 1.00 0.00 C ATOM 595 O SER A 42 111.259 -2.419 4.196 1.00 0.00 O ATOM 596 CB SER A 42 111.581 -4.226 1.696 1.00 0.00 C ATOM 597 OG SER A 42 111.285 -5.506 1.152 1.00 0.00 O ATOM 0 H SER A 42 110.259 -4.835 4.034 1.00 0.00 H new ATOM 0 HA SER A 42 113.080 -4.876 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.688 -3.601 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 42 112.326 -3.720 1.082 1.00 0.00 H new ATOM 0 HG SER A 42 110.949 -5.403 0.237 1.00 0.00 H new ATOM 603 N PHE A 43 113.479 -2.534 3.834 1.00 0.00 N ATOM 604 CA PHE A 43 113.742 -1.185 4.323 1.00 0.00 C ATOM 605 C PHE A 43 114.275 -0.335 3.178 1.00 0.00 C ATOM 606 O PHE A 43 115.291 -0.678 2.572 1.00 0.00 O ATOM 607 CB PHE A 43 114.773 -1.229 5.451 1.00 0.00 C ATOM 608 CG PHE A 43 115.018 0.115 6.098 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.013 0.961 5.596 1.00 0.00 C ATOM 610 CD2 PHE A 43 114.252 0.512 7.199 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.242 2.206 6.195 1.00 0.00 C ATOM 612 CE2 PHE A 43 114.480 1.756 7.799 1.00 0.00 C ATOM 613 CZ PHE A 43 115.474 2.603 7.297 1.00 0.00 C ATOM 0 H PHE A 43 114.312 -3.052 3.555 1.00 0.00 H new ATOM 0 HA PHE A 43 112.818 -0.752 4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 43 114.437 -1.934 6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 43 115.715 -1.610 5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.605 0.654 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 43 113.484 -0.142 7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 43 117.010 2.859 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 43 113.889 2.062 8.649 1.00 0.00 H new ATOM 0 HZ PHE A 43 115.649 3.563 7.759 1.00 0.00 H new ATOM 623 N THR A 44 113.603 0.775 2.881 1.00 0.00 N ATOM 624 CA THR A 44 114.021 1.634 1.775 1.00 0.00 C ATOM 625 C THR A 44 114.358 3.030 2.278 1.00 0.00 C ATOM 626 O THR A 44 113.628 3.596 3.089 1.00 0.00 O ATOM 627 CB THR A 44 112.904 1.717 0.729 1.00 0.00 C ATOM 628 OG1 THR A 44 113.309 2.577 -0.324 1.00 0.00 O ATOM 629 CG2 THR A 44 111.626 2.258 1.374 1.00 0.00 C ATOM 0 H THR A 44 112.776 1.098 3.384 1.00 0.00 H new ATOM 0 HA THR A 44 114.913 1.203 1.320 1.00 0.00 H new ATOM 0 HB THR A 44 112.707 0.721 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.597 2.630 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 44 110.836 2.314 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 44 111.315 1.593 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 44 111.815 3.253 1.778 1.00 0.00 H new ATOM 637 N TYR A 45 115.470 3.568 1.785 1.00 0.00 N ATOM 638 CA TYR A 45 115.896 4.914 2.150 1.00 0.00 C ATOM 639 C TYR A 45 116.211 5.706 0.885 1.00 0.00 C ATOM 640 O TYR A 45 117.015 5.264 0.064 1.00 0.00 O ATOM 641 CB TYR A 45 117.139 4.829 3.038 1.00 0.00 C ATOM 642 CG TYR A 45 117.578 6.156 3.608 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.486 6.955 2.905 1.00 0.00 C ATOM 644 CD2 TYR A 45 117.082 6.583 4.845 1.00 0.00 C ATOM 645 CE1 TYR A 45 118.899 8.182 3.439 1.00 0.00 C ATOM 646 CE2 TYR A 45 117.493 7.810 5.379 1.00 0.00 C ATOM 647 CZ TYR A 45 118.402 8.609 4.676 1.00 0.00 C ATOM 648 OH TYR A 45 118.808 9.819 5.202 1.00 0.00 O ATOM 0 H TYR A 45 116.092 3.092 1.132 1.00 0.00 H new ATOM 0 HA TYR A 45 115.099 5.418 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 45 116.940 4.140 3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 45 117.959 4.405 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.869 6.626 1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 45 116.382 5.966 5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.601 8.798 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 45 117.109 8.140 6.333 1.00 0.00 H new ATOM 0 HH TYR A 45 118.622 10.534 4.559 1.00 0.00 H new ATOM 658 N THR A 46 115.566 6.860 0.724 1.00 0.00 N ATOM 659 CA THR A 46 115.726 7.658 -0.489 1.00 0.00 C ATOM 660 C THR A 46 116.058 9.106 -0.148 1.00 0.00 C ATOM 661 O THR A 46 115.701 9.601 0.923 1.00 0.00 O ATOM 662 CB THR A 46 114.433 7.631 -1.316 1.00 0.00 C ATOM 663 OG1 THR A 46 113.387 8.228 -0.566 1.00 0.00 O ATOM 664 CG2 THR A 46 114.043 6.194 -1.677 1.00 0.00 C ATOM 0 H THR A 46 114.931 7.261 1.414 1.00 0.00 H new ATOM 0 HA THR A 46 116.545 7.227 -1.064 1.00 0.00 H new ATOM 0 HB THR A 46 114.599 8.186 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.708 7.553 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 46 113.124 6.203 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.841 5.736 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.886 5.619 -0.764 1.00 0.00 H new ATOM 672 N GLU A 47 116.720 9.781 -1.085 1.00 0.00 N ATOM 673 CA GLU A 47 117.063 11.188 -0.922 1.00 0.00 C ATOM 674 C GLU A 47 116.739 11.963 -2.195 1.00 0.00 C ATOM 675 O GLU A 47 116.690 11.387 -3.284 1.00 0.00 O ATOM 676 CB GLU A 47 118.550 11.334 -0.594 1.00 0.00 C ATOM 677 CG GLU A 47 118.839 10.689 0.766 1.00 0.00 C ATOM 678 CD GLU A 47 118.069 11.393 1.889 1.00 0.00 C ATOM 679 OE1 GLU A 47 117.626 12.515 1.693 1.00 0.00 O ATOM 680 OE2 GLU A 47 117.932 10.791 2.941 1.00 0.00 O ATOM 0 H GLU A 47 117.030 9.373 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 47 116.474 11.594 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 47 119.152 10.860 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.827 12.388 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.563 9.635 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.908 10.733 0.972 1.00 0.00 H new ATOM 687 N LYS A 48 116.511 13.263 -2.039 1.00 0.00 N ATOM 688 CA LYS A 48 116.205 14.129 -3.172 1.00 0.00 C ATOM 689 C LYS A 48 117.015 15.418 -3.082 1.00 0.00 C ATOM 690 O LYS A 48 117.078 16.046 -2.025 1.00 0.00 O ATOM 691 CB LYS A 48 114.711 14.464 -3.180 1.00 0.00 C ATOM 692 CG LYS A 48 114.368 15.259 -4.443 1.00 0.00 C ATOM 693 CD LYS A 48 112.859 15.504 -4.497 1.00 0.00 C ATOM 694 CE LYS A 48 112.455 16.460 -3.374 1.00 0.00 C ATOM 695 NZ LYS A 48 111.101 17.016 -3.657 1.00 0.00 N ATOM 0 H LYS A 48 116.532 13.740 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 48 116.465 13.608 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.123 13.547 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 114.453 15.043 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 114.902 16.209 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.690 14.712 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 48 112.583 15.925 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 48 112.323 14.560 -4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 48 112.452 15.935 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 48 113.182 17.268 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 110.883 17.765 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 111.082 17.412 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 110.392 16.259 -3.581 1.00 0.00 H new ATOM 709 N SER A 49 117.634 15.811 -4.192 1.00 0.00 N ATOM 710 CA SER A 49 118.440 17.030 -4.224 1.00 0.00 C ATOM 711 C SER A 49 117.820 18.060 -5.163 1.00 0.00 C ATOM 712 O SER A 49 117.385 17.728 -6.265 1.00 0.00 O ATOM 713 CB SER A 49 119.857 16.701 -4.697 1.00 0.00 C ATOM 714 OG SER A 49 120.661 17.870 -4.610 1.00 0.00 O ATOM 0 H SER A 49 117.594 15.307 -5.078 1.00 0.00 H new ATOM 0 HA SER A 49 118.475 17.447 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 49 120.282 15.906 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 49 119.835 16.336 -5.724 1.00 0.00 H new ATOM 0 HG SER A 49 121.571 17.664 -4.910 1.00 0.00 H new ATOM 720 N ARG A 50 117.784 19.311 -4.716 1.00 0.00 N ATOM 721 CA ARG A 50 117.233 20.391 -5.527 1.00 0.00 C ATOM 722 C ARG A 50 118.072 21.661 -5.387 1.00 0.00 C ATOM 723 O ARG A 50 118.782 21.839 -4.397 1.00 0.00 O ATOM 724 CB ARG A 50 115.776 20.655 -5.121 1.00 0.00 C ATOM 725 CG ARG A 50 115.700 21.163 -3.677 1.00 0.00 C ATOM 726 CD ARG A 50 114.238 21.225 -3.234 1.00 0.00 C ATOM 727 NE ARG A 50 114.137 21.829 -1.902 1.00 0.00 N ATOM 728 CZ ARG A 50 112.984 22.270 -1.374 1.00 0.00 C ATOM 729 NH1 ARG A 50 111.845 22.191 -2.018 1.00 0.00 N ATOM 730 NH2 ARG A 50 112.998 22.794 -0.179 1.00 0.00 N ATOM 0 H ARG A 50 118.128 19.601 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 50 117.259 20.090 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 50 115.333 21.389 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 50 115.194 19.739 -5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 50 116.263 20.502 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.156 22.151 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 50 113.658 21.807 -3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 50 113.812 20.222 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 50 114.988 21.919 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 50 111.815 21.784 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 50 110.989 22.537 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 50 113.875 22.863 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 50 112.132 23.135 0.239 1.00 0.00 H new ATOM 744 N THR A 51 117.987 22.538 -6.383 1.00 0.00 N ATOM 745 CA THR A 51 118.725 23.799 -6.356 1.00 0.00 C ATOM 746 C THR A 51 117.772 24.976 -6.541 1.00 0.00 C ATOM 747 O THR A 51 116.891 24.945 -7.399 1.00 0.00 O ATOM 748 CB THR A 51 119.774 23.810 -7.470 1.00 0.00 C ATOM 749 OG1 THR A 51 120.592 22.654 -7.358 1.00 0.00 O ATOM 750 CG2 THR A 51 120.640 25.065 -7.350 1.00 0.00 C ATOM 0 H THR A 51 117.416 22.400 -7.217 1.00 0.00 H new ATOM 0 HA THR A 51 119.220 23.893 -5.389 1.00 0.00 H new ATOM 0 HB THR A 51 119.274 23.810 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 51 121.264 22.658 -8.072 1.00 0.00 H new ATOM 0 HG21 THR A 51 121.386 25.070 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 120.011 25.951 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 51 121.141 25.070 -6.382 1.00 0.00 H new ATOM 758 N ALA A 52 117.955 26.015 -5.729 1.00 0.00 N ATOM 759 CA ALA A 52 117.113 27.206 -5.813 1.00 0.00 C ATOM 760 C ALA A 52 117.968 28.467 -5.876 1.00 0.00 C ATOM 761 O ALA A 52 119.048 28.525 -5.288 1.00 0.00 O ATOM 762 CB ALA A 52 116.188 27.275 -4.597 1.00 0.00 C ATOM 0 H ALA A 52 118.676 26.056 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 52 116.516 27.142 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 52 115.563 28.165 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 52 115.555 26.388 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 52 116.786 27.321 -3.687 1.00 0.00 H new ATOM 768 N SER A 53 117.476 29.475 -6.589 1.00 0.00 N ATOM 769 CA SER A 53 118.191 30.742 -6.702 1.00 0.00 C ATOM 770 C SER A 53 118.388 31.389 -5.331 1.00 0.00 C ATOM 771 O SER A 53 119.423 32.003 -5.071 1.00 0.00 O ATOM 772 CB SER A 53 117.414 31.699 -7.608 1.00 0.00 C ATOM 773 OG SER A 53 118.200 32.858 -7.845 1.00 0.00 O ATOM 0 H SER A 53 116.591 29.440 -7.094 1.00 0.00 H new ATOM 0 HA SER A 53 119.171 30.538 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 53 117.172 31.210 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 53 116.469 31.975 -7.140 1.00 0.00 H new ATOM 0 HG SER A 53 117.707 33.474 -8.426 1.00 0.00 H new ATOM 779 N SER A 54 117.393 31.251 -4.459 1.00 0.00 N ATOM 780 CA SER A 54 117.464 31.844 -3.127 1.00 0.00 C ATOM 781 C SER A 54 118.713 31.381 -2.378 1.00 0.00 C ATOM 782 O SER A 54 119.306 32.147 -1.619 1.00 0.00 O ATOM 783 CB SER A 54 116.220 31.462 -2.325 1.00 0.00 C ATOM 784 OG SER A 54 116.222 32.172 -1.093 1.00 0.00 O ATOM 0 H SER A 54 116.533 30.737 -4.649 1.00 0.00 H new ATOM 0 HA SER A 54 117.515 32.927 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 54 115.320 31.698 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 54 116.208 30.388 -2.140 1.00 0.00 H new ATOM 0 HG SER A 54 115.425 31.932 -0.576 1.00 0.00 H new ATOM 790 N GLY A 55 119.110 30.130 -2.591 1.00 0.00 N ATOM 791 CA GLY A 55 120.284 29.584 -1.914 1.00 0.00 C ATOM 792 C GLY A 55 119.948 28.962 -0.553 1.00 0.00 C ATOM 793 O GLY A 55 120.830 28.816 0.293 1.00 0.00 O ATOM 0 H GLY A 55 118.641 29.479 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 55 120.746 28.829 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 55 121.019 30.377 -1.775 1.00 0.00 H new ATOM 797 N ASP A 56 118.685 28.596 -0.339 1.00 0.00 N ATOM 798 CA ASP A 56 118.280 27.975 0.917 1.00 0.00 C ATOM 799 C ASP A 56 118.600 26.484 0.894 1.00 0.00 C ATOM 800 O ASP A 56 118.110 25.748 0.039 1.00 0.00 O ATOM 801 CB ASP A 56 116.780 28.176 1.140 1.00 0.00 C ATOM 802 CG ASP A 56 116.380 27.642 2.510 1.00 0.00 C ATOM 803 OD1 ASP A 56 116.532 28.373 3.476 1.00 0.00 O ATOM 804 OD2 ASP A 56 115.927 26.511 2.574 1.00 0.00 O ATOM 0 H ASP A 56 117.931 28.718 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 56 118.830 28.444 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 56 116.532 29.235 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 56 116.216 27.662 0.362 1.00 0.00 H new ATOM 809 N TYR A 57 119.425 26.043 1.841 1.00 0.00 N ATOM 810 CA TYR A 57 119.837 24.643 1.898 1.00 0.00 C ATOM 811 C TYR A 57 119.240 23.952 3.120 1.00 0.00 C ATOM 812 O TYR A 57 119.264 24.490 4.227 1.00 0.00 O ATOM 813 CB TYR A 57 121.363 24.555 1.962 1.00 0.00 C ATOM 814 CG TYR A 57 122.053 25.195 0.781 1.00 0.00 C ATOM 815 CD1 TYR A 57 122.178 24.492 -0.423 1.00 0.00 C ATOM 816 CD2 TYR A 57 122.569 26.492 0.890 1.00 0.00 C ATOM 817 CE1 TYR A 57 122.818 25.085 -1.518 1.00 0.00 C ATOM 818 CE2 TYR A 57 123.209 27.085 -0.205 1.00 0.00 C ATOM 819 CZ TYR A 57 123.333 26.382 -1.408 1.00 0.00 C ATOM 820 OH TYR A 57 123.964 26.966 -2.488 1.00 0.00 O ATOM 0 H TYR A 57 119.819 26.631 2.575 1.00 0.00 H new ATOM 0 HA TYR A 57 119.475 24.142 1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.709 25.034 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.657 23.507 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.780 23.491 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.473 27.035 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 57 122.914 24.542 -2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 57 123.607 28.085 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 57 124.262 27.867 -2.245 1.00 0.00 H new ATOM 830 N ASN A 58 118.707 22.756 2.903 1.00 0.00 N ATOM 831 CA ASN A 58 118.125 21.973 3.987 1.00 0.00 C ATOM 832 C ASN A 58 118.345 20.484 3.740 1.00 0.00 C ATOM 833 O ASN A 58 118.975 20.100 2.754 1.00 0.00 O ATOM 834 CB ASN A 58 116.626 22.277 4.106 1.00 0.00 C ATOM 835 CG ASN A 58 115.882 21.847 2.843 1.00 0.00 C ATOM 836 OD1 ASN A 58 116.494 21.649 1.793 1.00 0.00 O ATOM 837 ND2 ASN A 58 114.587 21.689 2.885 1.00 0.00 N ATOM 0 H ASN A 58 118.665 22.307 1.988 1.00 0.00 H new ATOM 0 HA ASN A 58 118.615 22.245 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.213 21.758 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 58 116.479 23.344 4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.081 21.401 2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 58 114.081 21.853 3.755 1.00 0.00 H new ATOM 844 N LYS A 59 117.828 19.646 4.634 1.00 0.00 N ATOM 845 CA LYS A 59 117.966 18.200 4.483 1.00 0.00 C ATOM 846 C LYS A 59 116.617 17.511 4.658 1.00 0.00 C ATOM 847 O LYS A 59 115.968 17.645 5.697 1.00 0.00 O ATOM 848 CB LYS A 59 118.956 17.658 5.518 1.00 0.00 C ATOM 849 CG LYS A 59 119.211 16.171 5.253 1.00 0.00 C ATOM 850 CD LYS A 59 120.275 15.651 6.221 1.00 0.00 C ATOM 851 CE LYS A 59 119.710 15.634 7.643 1.00 0.00 C ATOM 852 NZ LYS A 59 120.451 14.630 8.457 1.00 0.00 N ATOM 0 H LYS A 59 117.314 19.940 5.464 1.00 0.00 H new ATOM 0 HA LYS A 59 118.339 17.993 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 119.893 18.213 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 118.559 17.796 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 118.287 15.606 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 59 119.540 16.026 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 59 120.586 14.648 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 59 121.161 16.285 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 59 119.800 16.622 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 59 118.648 15.389 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 120.069 14.617 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 120.343 13.688 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 121.459 14.883 8.487 1.00 0.00 H new ATOM 866 N ASN A 60 116.204 16.775 3.632 1.00 0.00 N ATOM 867 CA ASN A 60 114.954 16.021 3.680 1.00 0.00 C ATOM 868 C ASN A 60 115.221 14.557 3.348 1.00 0.00 C ATOM 869 O ASN A 60 115.961 14.254 2.413 1.00 0.00 O ATOM 870 CB ASN A 60 113.954 16.600 2.677 1.00 0.00 C ATOM 871 CG ASN A 60 112.563 16.037 2.944 1.00 0.00 C ATOM 872 OD1 ASN A 60 111.999 16.257 4.015 1.00 0.00 O ATOM 873 ND2 ASN A 60 111.973 15.318 2.028 1.00 0.00 N ATOM 0 H ASN A 60 116.717 16.684 2.755 1.00 0.00 H new ATOM 0 HA ASN A 60 114.536 16.094 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 60 113.936 17.687 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 60 114.264 16.358 1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 60 111.042 14.937 2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 60 112.443 15.137 1.141 1.00 0.00 H new ATOM 880 N GLN A 61 114.618 13.650 4.112 1.00 0.00 N ATOM 881 CA GLN A 61 114.829 12.222 3.894 1.00 0.00 C ATOM 882 C GLN A 61 113.503 11.469 3.933 1.00 0.00 C ATOM 883 O GLN A 61 112.567 11.888 4.614 1.00 0.00 O ATOM 884 CB GLN A 61 115.803 11.673 4.947 1.00 0.00 C ATOM 885 CG GLN A 61 115.193 11.758 6.351 1.00 0.00 C ATOM 886 CD GLN A 61 116.263 11.479 7.401 1.00 0.00 C ATOM 887 OE1 GLN A 61 117.393 11.950 7.278 1.00 0.00 O ATOM 888 NE2 GLN A 61 115.971 10.738 8.435 1.00 0.00 N ATOM 0 H GLN A 61 113.986 13.875 4.880 1.00 0.00 H new ATOM 0 HA GLN A 61 115.265 12.076 2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 61 116.050 10.637 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 61 116.735 12.237 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 61 114.764 12.747 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 61 114.380 11.038 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 61 115.034 10.349 8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 61 116.680 10.548 9.143 1.00 0.00 H new ATOM 897 N TYR A 62 113.433 10.363 3.199 1.00 0.00 N ATOM 898 CA TYR A 62 112.217 9.561 3.149 1.00 0.00 C ATOM 899 C TYR A 62 112.557 8.090 3.357 1.00 0.00 C ATOM 900 O TYR A 62 113.468 7.568 2.719 1.00 0.00 O ATOM 901 CB TYR A 62 111.549 9.758 1.785 1.00 0.00 C ATOM 902 CG TYR A 62 110.225 9.047 1.627 1.00 0.00 C ATOM 903 CD1 TYR A 62 110.187 7.740 1.129 1.00 0.00 C ATOM 904 CD2 TYR A 62 109.034 9.705 1.958 1.00 0.00 C ATOM 905 CE1 TYR A 62 108.959 7.090 0.961 1.00 0.00 C ATOM 906 CE2 TYR A 62 107.806 9.054 1.794 1.00 0.00 C ATOM 907 CZ TYR A 62 107.768 7.747 1.294 1.00 0.00 C ATOM 908 OH TYR A 62 106.556 7.109 1.123 1.00 0.00 O ATOM 0 H TYR A 62 114.201 10.003 2.633 1.00 0.00 H new ATOM 0 HA TYR A 62 111.535 9.875 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 62 111.396 10.825 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.229 9.410 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.106 7.233 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 62 109.063 10.715 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 62 108.930 6.082 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 62 106.888 9.560 2.053 1.00 0.00 H new ATOM 0 HH TYR A 62 105.830 7.705 1.403 1.00 0.00 H new ATOM 918 N TYR A 63 111.835 7.426 4.255 1.00 0.00 N ATOM 919 CA TYR A 63 112.071 6.006 4.509 1.00 0.00 C ATOM 920 C TYR A 63 110.747 5.255 4.569 1.00 0.00 C ATOM 921 O TYR A 63 109.733 5.821 4.967 1.00 0.00 O ATOM 922 CB TYR A 63 112.850 5.824 5.816 1.00 0.00 C ATOM 923 CG TYR A 63 112.074 6.198 7.059 1.00 0.00 C ATOM 924 CD1 TYR A 63 111.305 5.234 7.722 1.00 0.00 C ATOM 925 CD2 TYR A 63 112.132 7.508 7.552 1.00 0.00 C ATOM 926 CE1 TYR A 63 110.593 5.580 8.876 1.00 0.00 C ATOM 927 CE2 TYR A 63 111.420 7.853 8.707 1.00 0.00 C ATOM 928 CZ TYR A 63 110.650 6.889 9.369 1.00 0.00 C ATOM 929 OH TYR A 63 109.948 7.230 10.507 1.00 0.00 O ATOM 0 H TYR A 63 111.090 7.841 4.814 1.00 0.00 H new ATOM 0 HA TYR A 63 112.665 5.597 3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 63 113.164 4.783 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 63 113.757 6.428 5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 63 111.261 4.224 7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 63 112.726 8.252 7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 63 109.999 4.837 9.387 1.00 0.00 H new ATOM 0 HE2 TYR A 63 111.465 8.863 9.087 1.00 0.00 H new ATOM 0 HH TYR A 63 108.987 7.132 10.340 1.00 0.00 H new ATOM 939 N GLY A 64 110.765 3.980 4.191 1.00 0.00 N ATOM 940 CA GLY A 64 109.532 3.204 4.104 1.00 0.00 C ATOM 941 C GLY A 64 109.720 1.792 4.644 1.00 0.00 C ATOM 942 O GLY A 64 110.738 1.151 4.379 1.00 0.00 O ATOM 0 H GLY A 64 111.610 3.466 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 64 108.744 3.707 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 64 109.204 3.157 3.066 1.00 0.00 H new ATOM 946 N ILE A 65 108.738 1.325 5.413 1.00 0.00 N ATOM 947 CA ILE A 65 108.767 -0.032 5.954 1.00 0.00 C ATOM 948 C ILE A 65 107.622 -0.836 5.353 1.00 0.00 C ATOM 949 O ILE A 65 106.469 -0.407 5.408 1.00 0.00 O ATOM 950 CB ILE A 65 108.625 -0.002 7.481 1.00 0.00 C ATOM 951 CG1 ILE A 65 109.680 0.924 8.112 1.00 0.00 C ATOM 952 CG2 ILE A 65 108.796 -1.418 8.036 1.00 0.00 C ATOM 953 CD1 ILE A 65 111.108 0.509 7.728 1.00 0.00 C ATOM 0 H ILE A 65 107.914 1.866 5.675 1.00 0.00 H new ATOM 0 HA ILE A 65 109.720 -0.495 5.700 1.00 0.00 H new ATOM 0 HB ILE A 65 107.635 0.380 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 65 109.501 1.950 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 65 109.576 0.907 9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 65 108.695 -1.398 9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 65 108.032 -2.070 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 65 109.783 -1.796 7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 65 111.822 1.188 8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 65 111.296 -0.508 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 65 111.220 0.552 6.645 1.00 0.00 H new ATOM 965 N THR A 66 107.944 -1.985 4.762 1.00 0.00 N ATOM 966 CA THR A 66 106.938 -2.807 4.093 1.00 0.00 C ATOM 967 C THR A 66 107.025 -4.265 4.535 1.00 0.00 C ATOM 968 O THR A 66 108.047 -4.713 5.053 1.00 0.00 O ATOM 969 CB THR A 66 107.131 -2.737 2.575 1.00 0.00 C ATOM 970 OG1 THR A 66 108.425 -3.218 2.245 1.00 0.00 O ATOM 971 CG2 THR A 66 106.979 -1.295 2.083 1.00 0.00 C ATOM 0 H THR A 66 108.889 -2.367 4.733 1.00 0.00 H new ATOM 0 HA THR A 66 105.958 -2.417 4.367 1.00 0.00 H new ATOM 0 HB THR A 66 106.372 -3.353 2.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.552 -3.176 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.119 -1.263 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 66 105.983 -0.929 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 66 107.727 -0.665 2.565 1.00 0.00 H new ATOM 979 N ALA A 67 105.934 -4.993 4.322 1.00 0.00 N ATOM 980 CA ALA A 67 105.903 -6.430 4.574 1.00 0.00 C ATOM 981 C ALA A 67 104.924 -7.089 3.608 1.00 0.00 C ATOM 982 O ALA A 67 103.927 -6.473 3.229 1.00 0.00 O ATOM 983 CB ALA A 67 105.470 -6.704 6.016 1.00 0.00 C ATOM 0 H ALA A 67 105.055 -4.610 3.974 1.00 0.00 H new ATOM 0 HA ALA A 67 106.901 -6.842 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.451 -7.780 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 67 106.176 -6.237 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 67 104.475 -6.291 6.182 1.00 0.00 H new ATOM 989 N GLY A 68 105.220 -8.319 3.188 1.00 0.00 N ATOM 990 CA GLY A 68 104.350 -9.003 2.233 1.00 0.00 C ATOM 991 C GLY A 68 104.380 -10.532 2.394 1.00 0.00 C ATOM 992 O GLY A 68 105.454 -11.090 2.616 1.00 0.00 O ATOM 0 H GLY A 68 106.037 -8.852 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.327 -8.648 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.654 -8.742 1.219 1.00 0.00 H new ATOM 996 N PRO A 69 103.257 -11.225 2.314 1.00 0.00 N ATOM 997 CA PRO A 69 103.256 -12.717 2.197 1.00 0.00 C ATOM 998 C PRO A 69 103.649 -13.169 0.787 1.00 0.00 C ATOM 999 O PRO A 69 103.588 -12.373 -0.154 1.00 0.00 O ATOM 1000 CB PRO A 69 101.819 -13.145 2.542 1.00 0.00 C ATOM 1001 CG PRO A 69 101.093 -11.906 2.947 1.00 0.00 C ATOM 1002 CD PRO A 69 101.870 -10.731 2.362 1.00 0.00 C ATOM 0 HA PRO A 69 103.987 -13.174 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.337 -13.614 1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 69 101.816 -13.878 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.069 -11.918 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.035 -11.829 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.505 -10.462 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 69 101.782 -9.841 2.986 1.00 0.00 H new ATOM 1010 N ALA A 70 104.023 -14.445 0.633 1.00 0.00 N ATOM 1011 CA ALA A 70 104.396 -14.972 -0.682 1.00 0.00 C ATOM 1012 C ALA A 70 103.570 -16.214 -1.016 1.00 0.00 C ATOM 1013 O ALA A 70 103.097 -16.913 -0.120 1.00 0.00 O ATOM 1014 CB ALA A 70 105.891 -15.308 -0.707 1.00 0.00 C ATOM 0 H ALA A 70 104.075 -15.123 1.393 1.00 0.00 H new ATOM 0 HA ALA A 70 104.191 -14.210 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.160 -15.699 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 70 106.470 -14.407 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 70 106.108 -16.057 0.054 1.00 0.00 H new ATOM 1020 N TYR A 71 103.399 -16.480 -2.309 1.00 0.00 N ATOM 1021 CA TYR A 71 102.590 -17.608 -2.760 1.00 0.00 C ATOM 1022 C TYR A 71 103.429 -18.539 -3.626 1.00 0.00 C ATOM 1023 O TYR A 71 104.113 -18.085 -4.545 1.00 0.00 O ATOM 1024 CB TYR A 71 101.391 -17.102 -3.562 1.00 0.00 C ATOM 1025 CG TYR A 71 100.478 -16.195 -2.771 1.00 0.00 C ATOM 1026 CD1 TYR A 71 99.533 -16.744 -1.897 1.00 0.00 C ATOM 1027 CD2 TYR A 71 100.576 -14.805 -2.911 1.00 0.00 C ATOM 1028 CE1 TYR A 71 98.685 -15.904 -1.164 1.00 0.00 C ATOM 1029 CE2 TYR A 71 99.730 -13.966 -2.179 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.783 -14.515 -1.305 1.00 0.00 C ATOM 1031 OH TYR A 71 97.948 -13.687 -0.583 1.00 0.00 O ATOM 0 H TYR A 71 103.810 -15.929 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 71 102.233 -18.156 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 71 101.751 -16.566 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 71 100.818 -17.956 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 71 99.457 -17.816 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 71 101.306 -14.381 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 71 97.955 -16.328 -0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 71 99.807 -12.894 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 71 98.149 -12.752 -0.798 1.00 0.00 H new ATOM 1041 N ARG A 72 103.388 -19.830 -3.312 1.00 0.00 N ATOM 1042 CA ARG A 72 104.117 -20.820 -4.093 1.00 0.00 C ATOM 1043 C ARG A 72 103.234 -21.361 -5.213 1.00 0.00 C ATOM 1044 O ARG A 72 102.079 -21.722 -4.990 1.00 0.00 O ATOM 1045 CB ARG A 72 104.569 -21.970 -3.192 1.00 0.00 C ATOM 1046 CG ARG A 72 105.453 -22.931 -3.991 1.00 0.00 C ATOM 1047 CD ARG A 72 105.816 -24.136 -3.120 1.00 0.00 C ATOM 1048 NE ARG A 72 106.565 -23.700 -1.938 1.00 0.00 N ATOM 1049 CZ ARG A 72 107.149 -24.548 -1.077 1.00 0.00 C ATOM 1050 NH1 ARG A 72 107.087 -25.848 -1.227 1.00 0.00 N ATOM 1051 NH2 ARG A 72 107.800 -24.060 -0.057 1.00 0.00 N ATOM 0 H ARG A 72 102.861 -20.212 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 72 104.994 -20.342 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 72 105.120 -21.580 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.701 -22.500 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.930 -23.262 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 72 106.358 -22.421 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.910 -24.658 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.412 -24.844 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 72 106.647 -22.699 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.582 -26.247 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.543 -26.462 -0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 72 107.858 -23.050 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 72 108.251 -24.688 0.608 1.00 0.00 H new ATOM 1065 N ILE A 73 103.790 -21.410 -6.419 1.00 0.00 N ATOM 1066 CA ILE A 73 103.054 -21.884 -7.588 1.00 0.00 C ATOM 1067 C ILE A 73 103.797 -23.059 -8.216 1.00 0.00 C ATOM 1068 O ILE A 73 104.999 -23.222 -8.006 1.00 0.00 O ATOM 1069 CB ILE A 73 102.900 -20.745 -8.606 1.00 0.00 C ATOM 1070 CG1 ILE A 73 102.186 -19.559 -7.945 1.00 0.00 C ATOM 1071 CG2 ILE A 73 102.068 -21.225 -9.800 1.00 0.00 C ATOM 1072 CD1 ILE A 73 102.265 -18.333 -8.859 1.00 0.00 C ATOM 0 H ILE A 73 104.750 -21.127 -6.614 1.00 0.00 H new ATOM 0 HA ILE A 73 102.061 -22.214 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 73 103.888 -20.438 -8.949 1.00 0.00 H new ATOM 0 HG12 ILE A 73 101.144 -19.812 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 73 102.645 -19.337 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.962 -20.413 -10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 73 102.568 -22.069 -10.276 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.082 -21.535 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 73 101.757 -17.493 -8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 73 103.310 -18.074 -9.031 1.00 0.00 H new ATOM 0 HD13 ILE A 73 101.785 -18.558 -9.811 1.00 0.00 H new ATOM 1084 N ASN A 74 103.084 -23.882 -8.988 1.00 0.00 N ATOM 1085 CA ASN A 74 103.690 -25.052 -9.629 1.00 0.00 C ATOM 1086 C ASN A 74 104.984 -24.688 -10.363 1.00 0.00 C ATOM 1087 O ASN A 74 105.928 -25.475 -10.402 1.00 0.00 O ATOM 1088 CB ASN A 74 102.699 -25.667 -10.620 1.00 0.00 C ATOM 1089 CG ASN A 74 101.465 -26.179 -9.885 1.00 0.00 C ATOM 1090 OD1 ASN A 74 101.525 -26.469 -8.690 1.00 0.00 O ATOM 1091 ND2 ASN A 74 100.341 -26.309 -10.533 1.00 0.00 N ATOM 0 H ASN A 74 102.090 -23.761 -9.184 1.00 0.00 H new ATOM 0 HA ASN A 74 103.935 -25.771 -8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 74 102.407 -24.923 -11.361 1.00 0.00 H new ATOM 0 HB3 ASN A 74 103.175 -26.486 -11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 74 99.510 -26.651 -10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 74 100.292 -26.068 -11.523 1.00 0.00 H new ATOM 1098 N ASP A 75 105.016 -23.490 -10.941 1.00 0.00 N ATOM 1099 CA ASP A 75 106.235 -22.980 -11.554 1.00 0.00 C ATOM 1100 C ASP A 75 107.237 -22.597 -10.471 1.00 0.00 C ATOM 1101 O ASP A 75 106.853 -22.115 -9.404 1.00 0.00 O ATOM 1102 CB ASP A 75 105.918 -21.759 -12.419 1.00 0.00 C ATOM 1103 CG ASP A 75 107.165 -21.320 -13.179 1.00 0.00 C ATOM 1104 OD1 ASP A 75 107.422 -21.881 -14.231 1.00 0.00 O ATOM 1105 OD2 ASP A 75 107.845 -20.428 -12.698 1.00 0.00 O ATOM 0 H ASP A 75 104.216 -22.859 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 75 106.666 -23.759 -12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 75 105.119 -21.998 -13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 75 105.558 -20.943 -11.793 1.00 0.00 H new ATOM 1110 N TRP A 76 108.519 -22.813 -10.743 1.00 0.00 N ATOM 1111 CA TRP A 76 109.566 -22.535 -9.759 1.00 0.00 C ATOM 1112 C TRP A 76 109.457 -21.116 -9.201 1.00 0.00 C ATOM 1113 O TRP A 76 109.753 -20.880 -8.029 1.00 0.00 O ATOM 1114 CB TRP A 76 110.940 -22.719 -10.404 1.00 0.00 C ATOM 1115 CG TRP A 76 111.254 -24.141 -10.746 1.00 0.00 C ATOM 1116 CD1 TRP A 76 111.209 -24.668 -11.990 1.00 0.00 C ATOM 1117 CD2 TRP A 76 111.660 -25.222 -9.857 1.00 0.00 C ATOM 1118 NE1 TRP A 76 111.561 -26.003 -11.924 1.00 0.00 N ATOM 1119 CE2 TRP A 76 111.848 -26.394 -10.631 1.00 0.00 C ATOM 1120 CE3 TRP A 76 111.881 -25.302 -8.471 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 112.242 -27.600 -10.047 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 112.277 -26.512 -7.882 1.00 0.00 C ATOM 1123 CH2 TRP A 76 112.457 -27.658 -8.667 1.00 0.00 C ATOM 0 H TRP A 76 108.860 -23.178 -11.632 1.00 0.00 H new ATOM 0 HA TRP A 76 109.439 -23.235 -8.933 1.00 0.00 H new ATOM 0 HB2 TRP A 76 110.990 -22.116 -11.311 1.00 0.00 H new ATOM 0 HB3 TRP A 76 111.704 -22.340 -9.726 1.00 0.00 H new ATOM 0 HD1 TRP A 76 110.942 -24.133 -12.889 1.00 0.00 H new ATOM 0 HE1 TRP A 76 111.604 -26.624 -12.732 1.00 0.00 H new ATOM 0 HE3 TRP A 76 111.745 -24.425 -7.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 112.379 -28.481 -10.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 112.444 -26.560 -6.816 1.00 0.00 H new ATOM 0 HH2 TRP A 76 112.762 -28.586 -8.206 1.00 0.00 H new ATOM 1134 N ALA A 77 109.032 -20.175 -10.039 1.00 0.00 N ATOM 1135 CA ALA A 77 108.927 -18.782 -9.620 1.00 0.00 C ATOM 1136 C ALA A 77 107.907 -18.620 -8.495 1.00 0.00 C ATOM 1137 O ALA A 77 106.885 -19.304 -8.462 1.00 0.00 O ATOM 1138 CB ALA A 77 108.517 -17.911 -10.808 1.00 0.00 C ATOM 0 H ALA A 77 108.757 -20.350 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 77 109.903 -18.466 -9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 77 108.440 -16.872 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 77 109.266 -17.994 -11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 77 107.552 -18.246 -11.188 1.00 0.00 H new ATOM 1144 N SER A 78 108.202 -17.705 -7.575 1.00 0.00 N ATOM 1145 CA SER A 78 107.296 -17.396 -6.473 1.00 0.00 C ATOM 1146 C SER A 78 106.926 -15.918 -6.520 1.00 0.00 C ATOM 1147 O SER A 78 107.714 -15.099 -6.995 1.00 0.00 O ATOM 1148 CB SER A 78 107.964 -17.717 -5.135 1.00 0.00 C ATOM 1149 OG SER A 78 108.334 -19.089 -5.115 1.00 0.00 O ATOM 0 H SER A 78 109.066 -17.163 -7.572 1.00 0.00 H new ATOM 0 HA SER A 78 106.395 -18.002 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 78 108.843 -17.089 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 78 107.282 -17.500 -4.313 1.00 0.00 H new ATOM 0 HG SER A 78 108.764 -19.299 -4.260 1.00 0.00 H new ATOM 1155 N ILE A 79 105.735 -15.568 -6.032 1.00 0.00 N ATOM 1156 CA ILE A 79 105.268 -14.185 -6.119 1.00 0.00 C ATOM 1157 C ILE A 79 104.883 -13.667 -4.741 1.00 0.00 C ATOM 1158 O ILE A 79 104.497 -14.448 -3.876 1.00 0.00 O ATOM 1159 CB ILE A 79 104.068 -14.099 -7.069 1.00 0.00 C ATOM 1160 CG1 ILE A 79 102.929 -14.988 -6.558 1.00 0.00 C ATOM 1161 CG2 ILE A 79 104.493 -14.571 -8.461 1.00 0.00 C ATOM 1162 CD1 ILE A 79 101.653 -14.696 -7.350 1.00 0.00 C ATOM 0 H ILE A 79 105.086 -16.212 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 79 106.076 -13.566 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 79 103.721 -13.067 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 79 103.200 -16.039 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 79 102.760 -14.805 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 79 103.643 -14.512 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 79 105.298 -13.936 -8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 79 104.841 -15.602 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.845 -15.330 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 79 101.378 -13.649 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 79 101.825 -14.901 -8.406 1.00 0.00 H new ATOM 1174 N TYR A 80 104.995 -12.359 -4.538 1.00 0.00 N ATOM 1175 CA TYR A 80 104.612 -11.772 -3.260 1.00 0.00 C ATOM 1176 C TYR A 80 104.041 -10.373 -3.454 1.00 0.00 C ATOM 1177 O TYR A 80 104.305 -9.722 -4.462 1.00 0.00 O ATOM 1178 CB TYR A 80 105.823 -11.730 -2.322 1.00 0.00 C ATOM 1179 CG TYR A 80 106.902 -10.760 -2.748 1.00 0.00 C ATOM 1180 CD1 TYR A 80 107.885 -11.160 -3.660 1.00 0.00 C ATOM 1181 CD2 TYR A 80 106.917 -9.460 -2.229 1.00 0.00 C ATOM 1182 CE1 TYR A 80 108.882 -10.261 -4.055 1.00 0.00 C ATOM 1183 CE2 TYR A 80 107.915 -8.561 -2.623 1.00 0.00 C ATOM 1184 CZ TYR A 80 108.898 -8.961 -3.535 1.00 0.00 C ATOM 1185 OH TYR A 80 109.881 -8.075 -3.924 1.00 0.00 O ATOM 0 H TYR A 80 105.342 -11.694 -5.230 1.00 0.00 H new ATOM 0 HA TYR A 80 103.836 -12.393 -2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 80 105.484 -11.463 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 80 106.253 -12.729 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 80 107.874 -12.163 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 80 106.159 -9.151 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 80 109.639 -10.570 -4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 80 107.926 -7.558 -2.223 1.00 0.00 H new ATOM 0 HH TYR A 80 109.746 -7.217 -3.471 1.00 0.00 H new ATOM 1195 N GLY A 81 103.278 -9.914 -2.468 1.00 0.00 N ATOM 1196 CA GLY A 81 102.738 -8.556 -2.505 1.00 0.00 C ATOM 1197 C GLY A 81 102.964 -7.876 -1.162 1.00 0.00 C ATOM 1198 O GLY A 81 102.861 -8.518 -0.120 1.00 0.00 O ATOM 0 H GLY A 81 103.021 -10.453 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 81 103.220 -7.984 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 81 101.673 -8.584 -2.734 1.00 0.00 H new ATOM 1202 N VAL A 82 103.207 -6.568 -1.184 1.00 0.00 N ATOM 1203 CA VAL A 82 103.623 -5.862 0.024 1.00 0.00 C ATOM 1204 C VAL A 82 102.863 -4.555 0.193 1.00 0.00 C ATOM 1205 O VAL A 82 102.449 -3.931 -0.785 1.00 0.00 O ATOM 1206 CB VAL A 82 105.125 -5.548 -0.032 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.937 -6.845 -0.048 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.437 -4.738 -1.294 1.00 0.00 C ATOM 0 H VAL A 82 103.124 -5.982 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 82 103.405 -6.514 0.870 1.00 0.00 H new ATOM 0 HB VAL A 82 105.395 -4.969 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 82 107.000 -6.608 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.726 -7.417 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 82 105.664 -7.435 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.504 -4.517 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.156 -5.315 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.874 -3.805 -1.276 1.00 0.00 H new ATOM 1218 N VAL A 83 102.701 -4.157 1.448 1.00 0.00 N ATOM 1219 CA VAL A 83 102.170 -2.840 1.776 1.00 0.00 C ATOM 1220 C VAL A 83 103.089 -2.212 2.814 1.00 0.00 C ATOM 1221 O VAL A 83 103.760 -2.941 3.546 1.00 0.00 O ATOM 1222 CB VAL A 83 100.750 -2.953 2.342 1.00 0.00 C ATOM 1223 CG1 VAL A 83 100.183 -1.549 2.563 1.00 0.00 C ATOM 1224 CG2 VAL A 83 99.852 -3.726 1.366 1.00 0.00 C ATOM 0 H VAL A 83 102.931 -4.731 2.260 1.00 0.00 H new ATOM 0 HA VAL A 83 102.125 -2.225 0.877 1.00 0.00 H new ATOM 0 HB VAL A 83 100.782 -3.490 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 83 99.173 -1.624 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 83 100.815 -1.008 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 83 100.157 -1.014 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 83 98.846 -3.800 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 83 99.815 -3.201 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 83 100.257 -4.727 1.214 1.00 0.00 H new ATOM 1234 N GLY A 84 103.140 -0.882 2.871 1.00 0.00 N ATOM 1235 CA GLY A 84 103.996 -0.228 3.857 1.00 0.00 C ATOM 1236 C GLY A 84 103.661 1.246 4.026 1.00 0.00 C ATOM 1237 O GLY A 84 102.802 1.789 3.333 1.00 0.00 O ATOM 0 H GLY A 84 102.615 -0.252 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 84 103.893 -0.734 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 84 105.038 -0.329 3.554 1.00 0.00 H new ATOM 1241 N VAL A 85 104.393 1.886 4.934 1.00 0.00 N ATOM 1242 CA VAL A 85 104.170 3.292 5.251 1.00 0.00 C ATOM 1243 C VAL A 85 105.481 4.052 5.100 1.00 0.00 C ATOM 1244 O VAL A 85 106.537 3.553 5.484 1.00 0.00 O ATOM 1245 CB VAL A 85 103.646 3.438 6.684 1.00 0.00 C ATOM 1246 CG1 VAL A 85 103.332 4.909 6.973 1.00 0.00 C ATOM 1247 CG2 VAL A 85 102.367 2.613 6.855 1.00 0.00 C ATOM 0 H VAL A 85 105.148 1.451 5.464 1.00 0.00 H new ATOM 0 HA VAL A 85 103.427 3.701 4.567 1.00 0.00 H new ATOM 0 HB VAL A 85 104.408 3.082 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 85 102.960 5.008 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 85 104.238 5.504 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 85 102.574 5.263 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 85 101.999 2.720 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 85 101.609 2.968 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 85 102.582 1.563 6.655 1.00 0.00 H new ATOM 1257 N GLY A 86 105.411 5.246 4.517 1.00 0.00 N ATOM 1258 CA GLY A 86 106.607 6.050 4.294 1.00 0.00 C ATOM 1259 C GLY A 86 106.503 7.381 5.024 1.00 0.00 C ATOM 1260 O GLY A 86 105.435 7.989 5.064 1.00 0.00 O ATOM 0 H GLY A 86 104.544 5.675 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 86 107.486 5.507 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 86 106.740 6.224 3.226 1.00 0.00 H new ATOM 1264 N TYR A 87 107.619 7.823 5.596 1.00 0.00 N ATOM 1265 CA TYR A 87 107.654 9.076 6.341 1.00 0.00 C ATOM 1266 C TYR A 87 108.701 10.010 5.747 1.00 0.00 C ATOM 1267 O TYR A 87 109.821 9.589 5.455 1.00 0.00 O ATOM 1268 CB TYR A 87 107.998 8.797 7.805 1.00 0.00 C ATOM 1269 CG TYR A 87 107.081 7.793 8.464 1.00 0.00 C ATOM 1270 CD1 TYR A 87 107.396 6.429 8.424 1.00 0.00 C ATOM 1271 CD2 TYR A 87 105.921 8.224 9.118 1.00 0.00 C ATOM 1272 CE1 TYR A 87 106.551 5.496 9.037 1.00 0.00 C ATOM 1273 CE2 TYR A 87 105.076 7.290 9.731 1.00 0.00 C ATOM 1274 CZ TYR A 87 105.391 5.927 9.690 1.00 0.00 C ATOM 1275 OH TYR A 87 104.558 5.009 10.295 1.00 0.00 O ATOM 0 H TYR A 87 108.512 7.331 5.557 1.00 0.00 H new ATOM 0 HA TYR A 87 106.674 9.549 6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 87 109.024 8.433 7.865 1.00 0.00 H new ATOM 0 HB3 TYR A 87 107.959 9.733 8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 87 108.291 6.097 7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 87 105.678 9.276 9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 87 106.794 4.444 9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 87 104.181 7.622 10.236 1.00 0.00 H new ATOM 0 HH TYR A 87 103.799 5.475 10.703 1.00 0.00 H new ATOM 1285 N GLY A 88 108.313 11.265 5.548 1.00 0.00 N ATOM 1286 CA GLY A 88 109.237 12.290 5.072 1.00 0.00 C ATOM 1287 C GLY A 88 109.443 13.352 6.146 1.00 0.00 C ATOM 1288 O GLY A 88 108.473 13.867 6.707 1.00 0.00 O ATOM 0 H GLY A 88 107.363 11.598 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 88 110.193 11.836 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 88 108.845 12.751 4.165 1.00 0.00 H new ATOM 1292 N LYS A 89 110.706 13.670 6.423 1.00 0.00 N ATOM 1293 CA LYS A 89 111.037 14.613 7.487 1.00 0.00 C ATOM 1294 C LYS A 89 112.129 15.572 7.026 1.00 0.00 C ATOM 1295 O LYS A 89 113.053 15.172 6.319 1.00 0.00 O ATOM 1296 CB LYS A 89 111.509 13.848 8.727 1.00 0.00 C ATOM 1297 CG LYS A 89 111.727 14.816 9.894 1.00 0.00 C ATOM 1298 CD LYS A 89 110.375 15.256 10.462 1.00 0.00 C ATOM 1299 CE LYS A 89 110.601 16.139 11.691 1.00 0.00 C ATOM 1300 NZ LYS A 89 111.208 17.433 11.269 1.00 0.00 N ATOM 0 H LYS A 89 111.513 13.290 5.928 1.00 0.00 H new ATOM 0 HA LYS A 89 110.146 15.190 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 89 110.770 13.095 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 89 112.436 13.319 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 89 112.319 14.335 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 89 112.291 15.686 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 89 109.812 15.803 9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 89 109.781 14.383 10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 89 109.655 16.318 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 89 111.255 15.632 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 111.252 18.078 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 112.169 17.264 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 110.627 17.861 10.520 1.00 0.00 H new ATOM 1314 N PHE A 90 112.008 16.839 7.416 1.00 0.00 N ATOM 1315 CA PHE A 90 112.998 17.851 7.056 1.00 0.00 C ATOM 1316 C PHE A 90 113.607 18.464 8.315 1.00 0.00 C ATOM 1317 O PHE A 90 112.992 18.448 9.382 1.00 0.00 O ATOM 1318 CB PHE A 90 112.336 18.945 6.218 1.00 0.00 C ATOM 1319 CG PHE A 90 111.217 19.659 6.941 1.00 0.00 C ATOM 1320 CD1 PHE A 90 109.906 19.178 6.847 1.00 0.00 C ATOM 1321 CD2 PHE A 90 111.492 20.798 7.703 1.00 0.00 C ATOM 1322 CE1 PHE A 90 108.868 19.839 7.516 1.00 0.00 C ATOM 1323 CE2 PHE A 90 110.455 21.459 8.375 1.00 0.00 C ATOM 1324 CZ PHE A 90 109.143 20.979 8.281 1.00 0.00 C ATOM 0 H PHE A 90 111.234 17.189 7.981 1.00 0.00 H new ATOM 0 HA PHE A 90 113.790 17.379 6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 90 113.091 19.673 5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 90 111.944 18.504 5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 90 109.695 18.297 6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 90 112.504 21.169 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 90 107.856 19.469 7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 90 110.668 22.338 8.965 1.00 0.00 H new ATOM 0 HZ PHE A 90 108.343 21.488 8.798 1.00 0.00 H new ATOM 1334 N GLN A 91 114.817 19.007 8.186 1.00 0.00 N ATOM 1335 CA GLN A 91 115.528 19.562 9.338 1.00 0.00 C ATOM 1336 C GLN A 91 115.682 21.076 9.223 1.00 0.00 C ATOM 1337 O GLN A 91 116.076 21.597 8.180 1.00 0.00 O ATOM 1338 CB GLN A 91 116.915 18.920 9.447 1.00 0.00 C ATOM 1339 CG GLN A 91 116.796 17.393 9.542 1.00 0.00 C ATOM 1340 CD GLN A 91 115.955 16.987 10.751 1.00 0.00 C ATOM 1341 OE1 GLN A 91 116.190 17.464 11.861 1.00 0.00 O ATOM 1342 NE2 GLN A 91 114.985 16.127 10.600 1.00 0.00 N ATOM 0 H GLN A 91 115.323 19.075 7.303 1.00 0.00 H new ATOM 0 HA GLN A 91 114.942 19.344 10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 91 117.516 19.190 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 91 117.432 19.305 10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 91 116.343 17.002 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 91 117.789 16.951 9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 91 114.792 15.733 9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 91 114.420 15.849 11.403 1.00 0.00 H new ATOM 1351 N THR A 92 115.365 21.770 10.311 1.00 0.00 N ATOM 1352 CA THR A 92 115.536 23.217 10.382 1.00 0.00 C ATOM 1353 C THR A 92 116.133 23.598 11.733 1.00 0.00 C ATOM 1354 O THR A 92 116.274 22.745 12.611 1.00 0.00 O ATOM 1355 CB THR A 92 114.190 23.922 10.198 1.00 0.00 C ATOM 1356 OG1 THR A 92 113.319 23.561 11.260 1.00 0.00 O ATOM 1357 CG2 THR A 92 113.570 23.510 8.861 1.00 0.00 C ATOM 0 H THR A 92 114.986 21.351 11.160 1.00 0.00 H new ATOM 0 HA THR A 92 116.210 23.530 9.584 1.00 0.00 H new ATOM 0 HB THR A 92 114.343 25.001 10.204 1.00 0.00 H new ATOM 0 HG1 THR A 92 112.457 24.013 11.144 1.00 0.00 H new ATOM 0 HG21 THR A 92 112.612 24.014 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 92 114.239 23.791 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 92 113.417 22.431 8.848 1.00 0.00 H new ATOM 1365 N THR A 93 116.484 24.870 11.901 1.00 0.00 N ATOM 1366 CA THR A 93 116.996 25.338 13.185 1.00 0.00 C ATOM 1367 C THR A 93 115.875 26.012 13.966 1.00 0.00 C ATOM 1368 O THR A 93 115.252 26.958 13.484 1.00 0.00 O ATOM 1369 CB THR A 93 118.141 26.329 12.966 1.00 0.00 C ATOM 1370 OG1 THR A 93 119.128 25.735 12.136 1.00 0.00 O ATOM 1371 CG2 THR A 93 118.762 26.701 14.315 1.00 0.00 C ATOM 0 H THR A 93 116.425 25.585 11.176 1.00 0.00 H new ATOM 0 HA THR A 93 117.371 24.485 13.751 1.00 0.00 H new ATOM 0 HB THR A 93 117.756 27.228 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 93 119.861 26.370 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 93 119.578 27.407 14.158 1.00 0.00 H new ATOM 0 HG22 THR A 93 118.004 27.158 14.951 1.00 0.00 H new ATOM 0 HG23 THR A 93 119.147 25.803 14.798 1.00 0.00 H new ATOM 1379 N GLU A 94 115.662 25.541 15.193 1.00 0.00 N ATOM 1380 CA GLU A 94 114.514 25.958 15.995 1.00 0.00 C ATOM 1381 C GLU A 94 114.503 25.181 17.309 1.00 0.00 C ATOM 1382 O GLU A 94 114.959 24.037 17.355 1.00 0.00 O ATOM 1383 CB GLU A 94 113.207 25.682 15.240 1.00 0.00 C ATOM 1384 CG GLU A 94 112.021 26.314 15.981 1.00 0.00 C ATOM 1385 CD GLU A 94 110.686 25.999 15.297 1.00 0.00 C ATOM 1386 OE1 GLU A 94 110.673 25.287 14.303 1.00 0.00 O ATOM 1387 OE2 GLU A 94 109.678 26.482 15.788 1.00 0.00 O ATOM 0 H GLU A 94 116.273 24.867 15.655 1.00 0.00 H new ATOM 0 HA GLU A 94 114.594 27.027 16.193 1.00 0.00 H new ATOM 0 HB2 GLU A 94 113.270 26.086 14.230 1.00 0.00 H new ATOM 0 HB3 GLU A 94 113.054 24.607 15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 94 111.998 25.949 17.008 1.00 0.00 H new ATOM 0 HG3 GLU A 94 112.158 27.394 16.030 1.00 0.00 H new ATOM 1394 N TYR A 95 113.990 25.797 18.370 1.00 0.00 N ATOM 1395 CA TYR A 95 113.847 25.092 19.639 1.00 0.00 C ATOM 1396 C TYR A 95 112.585 24.234 19.573 1.00 0.00 C ATOM 1397 O TYR A 95 111.568 24.686 19.045 1.00 0.00 O ATOM 1398 CB TYR A 95 113.740 26.093 20.792 1.00 0.00 C ATOM 1399 CG TYR A 95 115.034 26.816 21.084 1.00 0.00 C ATOM 1400 CD1 TYR A 95 116.013 26.206 21.878 1.00 0.00 C ATOM 1401 CD2 TYR A 95 115.253 28.096 20.562 1.00 0.00 C ATOM 1402 CE1 TYR A 95 117.211 26.877 22.149 1.00 0.00 C ATOM 1403 CE2 TYR A 95 116.452 28.767 20.834 1.00 0.00 C ATOM 1404 CZ TYR A 95 117.432 28.157 21.627 1.00 0.00 C ATOM 1405 OH TYR A 95 118.612 28.817 21.895 1.00 0.00 O ATOM 0 H TYR A 95 113.671 26.766 18.378 1.00 0.00 H new ATOM 0 HA TYR A 95 114.720 24.463 19.814 1.00 0.00 H new ATOM 0 HB2 TYR A 95 112.969 26.826 20.556 1.00 0.00 H new ATOM 0 HB3 TYR A 95 113.416 25.567 21.690 1.00 0.00 H new ATOM 0 HD1 TYR A 95 115.844 25.218 22.281 1.00 0.00 H new ATOM 0 HD2 TYR A 95 114.498 28.566 19.950 1.00 0.00 H new ATOM 0 HE1 TYR A 95 117.966 26.407 22.762 1.00 0.00 H new ATOM 0 HE2 TYR A 95 116.621 29.755 20.432 1.00 0.00 H new ATOM 0 HH TYR A 95 118.604 29.693 21.456 1.00 0.00 H new ATOM 1415 N PRO A 96 112.610 23.026 20.091 1.00 0.00 N ATOM 1416 CA PRO A 96 111.540 22.034 19.771 1.00 0.00 C ATOM 1417 C PRO A 96 110.151 22.480 20.221 1.00 0.00 C ATOM 1418 O PRO A 96 109.962 22.961 21.338 1.00 0.00 O ATOM 1419 CB PRO A 96 111.974 20.759 20.505 1.00 0.00 C ATOM 1420 CG PRO A 96 112.903 21.212 21.578 1.00 0.00 C ATOM 1421 CD PRO A 96 113.582 22.475 21.054 1.00 0.00 C ATOM 0 HA PRO A 96 111.442 21.898 18.694 1.00 0.00 H new ATOM 0 HB2 PRO A 96 111.115 20.237 20.925 1.00 0.00 H new ATOM 0 HB3 PRO A 96 112.468 20.064 19.826 1.00 0.00 H new ATOM 0 HG2 PRO A 96 112.360 21.417 22.501 1.00 0.00 H new ATOM 0 HG3 PRO A 96 113.639 20.441 21.806 1.00 0.00 H new ATOM 0 HD2 PRO A 96 113.791 23.180 21.859 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.534 22.247 20.575 1.00 0.00 H new ATOM 1429 N THR A 97 109.188 22.308 19.321 1.00 0.00 N ATOM 1430 CA THR A 97 107.781 22.531 19.629 1.00 0.00 C ATOM 1431 C THR A 97 107.011 21.228 19.447 1.00 0.00 C ATOM 1432 O THR A 97 107.406 20.389 18.636 1.00 0.00 O ATOM 1433 CB THR A 97 107.204 23.605 18.705 1.00 0.00 C ATOM 1434 OG1 THR A 97 107.991 24.784 18.802 1.00 0.00 O ATOM 1435 CG2 THR A 97 105.763 23.916 19.115 1.00 0.00 C ATOM 0 H THR A 97 109.361 22.011 18.361 1.00 0.00 H new ATOM 0 HA THR A 97 107.689 22.869 20.661 1.00 0.00 H new ATOM 0 HB THR A 97 107.216 23.243 17.677 1.00 0.00 H new ATOM 0 HG1 THR A 97 107.623 25.472 18.209 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.354 24.681 18.455 1.00 0.00 H new ATOM 0 HG22 THR A 97 105.160 23.011 19.039 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.747 24.277 20.143 1.00 0.00 H new ATOM 1443 N TYR A 98 105.922 21.053 20.192 1.00 0.00 N ATOM 1444 CA TYR A 98 105.084 19.870 20.012 1.00 0.00 C ATOM 1445 C TYR A 98 103.892 20.202 19.117 1.00 0.00 C ATOM 1446 O TYR A 98 103.098 21.091 19.423 1.00 0.00 O ATOM 1447 CB TYR A 98 104.601 19.360 21.373 1.00 0.00 C ATOM 1448 CG TYR A 98 103.652 20.302 22.081 1.00 0.00 C ATOM 1449 CD1 TYR A 98 104.158 21.345 22.865 1.00 0.00 C ATOM 1450 CD2 TYR A 98 102.270 20.129 21.952 1.00 0.00 C ATOM 1451 CE1 TYR A 98 103.281 22.217 23.520 1.00 0.00 C ATOM 1452 CE2 TYR A 98 101.391 21.000 22.607 1.00 0.00 C ATOM 1453 CZ TYR A 98 101.897 22.045 23.392 1.00 0.00 C ATOM 1454 OH TYR A 98 101.031 22.904 24.038 1.00 0.00 O ATOM 0 H TYR A 98 105.603 21.701 20.912 1.00 0.00 H new ATOM 0 HA TYR A 98 105.672 19.088 19.532 1.00 0.00 H new ATOM 0 HB2 TYR A 98 104.107 18.398 21.235 1.00 0.00 H new ATOM 0 HB3 TYR A 98 105.467 19.184 22.012 1.00 0.00 H new ATOM 0 HD1 TYR A 98 105.225 21.477 22.965 1.00 0.00 H new ATOM 0 HD2 TYR A 98 101.881 19.323 21.347 1.00 0.00 H new ATOM 0 HE1 TYR A 98 103.671 23.023 24.124 1.00 0.00 H new ATOM 0 HE2 TYR A 98 100.324 20.867 22.507 1.00 0.00 H new ATOM 0 HH TYR A 98 100.106 22.645 23.842 1.00 0.00 H new ATOM 1464 N LYS A 99 103.780 19.477 18.007 1.00 0.00 N ATOM 1465 CA LYS A 99 102.685 19.680 17.062 1.00 0.00 C ATOM 1466 C LYS A 99 101.779 18.456 17.013 1.00 0.00 C ATOM 1467 O LYS A 99 102.241 17.327 17.184 1.00 0.00 O ATOM 1468 CB LYS A 99 103.248 19.953 15.666 1.00 0.00 C ATOM 1469 CG LYS A 99 104.047 21.258 15.683 1.00 0.00 C ATOM 1470 CD LYS A 99 104.520 21.586 14.266 1.00 0.00 C ATOM 1471 CE LYS A 99 105.421 22.823 14.301 1.00 0.00 C ATOM 1472 NZ LYS A 99 106.208 22.899 13.040 1.00 0.00 N ATOM 0 H LYS A 99 104.435 18.742 17.739 1.00 0.00 H new ATOM 0 HA LYS A 99 102.099 20.536 17.396 1.00 0.00 H new ATOM 0 HB2 LYS A 99 103.887 19.127 15.352 1.00 0.00 H new ATOM 0 HB3 LYS A 99 102.436 20.021 14.942 1.00 0.00 H new ATOM 0 HG2 LYS A 99 103.430 22.069 16.069 1.00 0.00 H new ATOM 0 HG3 LYS A 99 104.903 21.164 16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 99 105.064 20.739 13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 99 103.662 21.766 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 99 104.817 23.723 14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 99 106.092 22.773 15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 106.820 23.739 13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 106.795 22.046 12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 105.560 22.965 12.230 1.00 0.00 H new ATOM 1486 N HIS A 100 100.489 18.680 16.782 1.00 0.00 N ATOM 1487 CA HIS A 100 99.565 17.572 16.577 1.00 0.00 C ATOM 1488 C HIS A 100 99.992 16.767 15.353 1.00 0.00 C ATOM 1489 O HIS A 100 100.036 15.538 15.385 1.00 0.00 O ATOM 1490 CB HIS A 100 98.144 18.101 16.375 1.00 0.00 C ATOM 1491 CG HIS A 100 97.111 17.014 16.262 1.00 0.00 C ATOM 1492 ND1 HIS A 100 96.802 16.173 17.320 1.00 0.00 N ATOM 1493 CD2 HIS A 100 96.306 16.616 15.222 1.00 0.00 C ATOM 1494 CE1 HIS A 100 95.852 15.321 16.898 1.00 0.00 C ATOM 1495 NE2 HIS A 100 95.511 15.547 15.626 1.00 0.00 N ATOM 0 H HIS A 100 100.065 19.606 16.733 1.00 0.00 H new ATOM 0 HA HIS A 100 99.582 16.930 17.458 1.00 0.00 H new ATOM 0 HB2 HIS A 100 97.885 18.752 17.210 1.00 0.00 H new ATOM 0 HB3 HIS A 100 98.117 18.713 15.473 1.00 0.00 H new ATOM 0 HD2 HIS A 100 96.292 17.065 14.240 1.00 0.00 H new ATOM 0 HE1 HIS A 100 95.417 14.547 17.513 1.00 0.00 H new ATOM 0 HE2 HIS A 100 94.818 15.045 15.071 1.00 0.00 H new ATOM 1503 N ASP A 101 100.319 17.481 14.279 1.00 0.00 N ATOM 1504 CA ASP A 101 100.807 16.854 13.055 1.00 0.00 C ATOM 1505 C ASP A 101 101.941 17.686 12.464 1.00 0.00 C ATOM 1506 O ASP A 101 102.079 18.868 12.781 1.00 0.00 O ATOM 1507 CB ASP A 101 99.673 16.740 12.033 1.00 0.00 C ATOM 1508 CG ASP A 101 98.578 15.815 12.556 1.00 0.00 C ATOM 1509 OD1 ASP A 101 98.910 14.863 13.244 1.00 0.00 O ATOM 1510 OD2 ASP A 101 97.423 16.074 12.262 1.00 0.00 O ATOM 0 H ASP A 101 100.254 18.498 14.232 1.00 0.00 H new ATOM 0 HA ASP A 101 101.175 15.856 13.295 1.00 0.00 H new ATOM 0 HB2 ASP A 101 99.258 17.727 11.829 1.00 0.00 H new ATOM 0 HB3 ASP A 101 100.062 16.357 11.090 1.00 0.00 H new ATOM 1515 N THR A 102 102.751 17.071 11.606 1.00 0.00 N ATOM 1516 CA THR A 102 103.864 17.781 10.986 1.00 0.00 C ATOM 1517 C THR A 102 104.563 16.908 9.950 1.00 0.00 C ATOM 1518 O THR A 102 104.953 17.387 8.884 1.00 0.00 O ATOM 1519 CB THR A 102 104.871 18.212 12.057 1.00 0.00 C ATOM 1520 OG1 THR A 102 105.966 18.868 11.434 1.00 0.00 O ATOM 1521 CG2 THR A 102 105.375 16.983 12.817 1.00 0.00 C ATOM 0 H THR A 102 102.659 16.094 11.327 1.00 0.00 H new ATOM 0 HA THR A 102 103.465 18.662 10.483 1.00 0.00 H new ATOM 0 HB THR A 102 104.387 18.892 12.758 1.00 0.00 H new ATOM 0 HG1 THR A 102 106.612 19.147 12.117 1.00 0.00 H new ATOM 0 HG21 THR A 102 106.091 17.294 13.578 1.00 0.00 H new ATOM 0 HG22 THR A 102 104.534 16.480 13.294 1.00 0.00 H new ATOM 0 HG23 THR A 102 105.860 16.298 12.121 1.00 0.00 H new ATOM 1529 N SER A 103 104.719 15.627 10.266 1.00 0.00 N ATOM 1530 CA SER A 103 105.399 14.707 9.362 1.00 0.00 C ATOM 1531 C SER A 103 104.504 14.356 8.179 1.00 0.00 C ATOM 1532 O SER A 103 103.277 14.363 8.293 1.00 0.00 O ATOM 1533 CB SER A 103 105.783 13.429 10.109 1.00 0.00 C ATOM 1534 OG SER A 103 106.538 12.593 9.243 1.00 0.00 O ATOM 0 H SER A 103 104.387 15.205 11.133 1.00 0.00 H new ATOM 0 HA SER A 103 106.299 15.195 8.989 1.00 0.00 H new ATOM 0 HB2 SER A 103 106.365 13.673 10.997 1.00 0.00 H new ATOM 0 HB3 SER A 103 104.888 12.908 10.448 1.00 0.00 H new ATOM 0 HG SER A 103 106.789 11.773 9.717 1.00 0.00 H new ATOM 1540 N ASP A 104 105.124 14.049 7.044 1.00 0.00 N ATOM 1541 CA ASP A 104 104.368 13.690 5.848 1.00 0.00 C ATOM 1542 C ASP A 104 104.255 12.173 5.731 1.00 0.00 C ATOM 1543 O ASP A 104 105.267 11.475 5.721 1.00 0.00 O ATOM 1544 CB ASP A 104 105.063 14.251 4.607 1.00 0.00 C ATOM 1545 CG ASP A 104 104.218 13.975 3.367 1.00 0.00 C ATOM 1546 OD1 ASP A 104 103.316 14.753 3.103 1.00 0.00 O ATOM 1547 OD2 ASP A 104 104.488 12.990 2.701 1.00 0.00 O ATOM 0 H ASP A 104 106.137 14.041 6.927 1.00 0.00 H new ATOM 0 HA ASP A 104 103.367 14.115 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 104 105.218 15.324 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 104 106.048 13.797 4.495 1.00 0.00 H new ATOM 1552 N TYR A 105 103.025 11.672 5.646 1.00 0.00 N ATOM 1553 CA TYR A 105 102.790 10.230 5.598 1.00 0.00 C ATOM 1554 C TYR A 105 102.229 9.811 4.241 1.00 0.00 C ATOM 1555 O TYR A 105 101.368 10.489 3.680 1.00 0.00 O ATOM 1556 CB TYR A 105 101.795 9.837 6.691 1.00 0.00 C ATOM 1557 CG TYR A 105 102.190 10.313 8.069 1.00 0.00 C ATOM 1558 CD1 TYR A 105 101.764 11.567 8.524 1.00 0.00 C ATOM 1559 CD2 TYR A 105 102.980 9.501 8.891 1.00 0.00 C ATOM 1560 CE1 TYR A 105 102.130 12.009 9.801 1.00 0.00 C ATOM 1561 CE2 TYR A 105 103.344 9.943 10.169 1.00 0.00 C ATOM 1562 CZ TYR A 105 102.919 11.197 10.623 1.00 0.00 C ATOM 1563 OH TYR A 105 103.278 11.632 11.882 1.00 0.00 O ATOM 0 H TYR A 105 102.179 12.240 5.609 1.00 0.00 H new ATOM 0 HA TYR A 105 103.743 9.724 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 105 100.815 10.245 6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 105 101.694 8.752 6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 105 101.153 12.193 7.890 1.00 0.00 H new ATOM 0 HD2 TYR A 105 103.309 8.534 8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 105 101.803 12.977 10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 105 103.953 9.316 10.804 1.00 0.00 H new ATOM 0 HH TYR A 105 103.825 10.947 12.321 1.00 0.00 H new ATOM 1573 N GLY A 106 102.721 8.690 3.720 1.00 0.00 N ATOM 1574 CA GLY A 106 102.219 8.160 2.457 1.00 0.00 C ATOM 1575 C GLY A 106 102.080 6.641 2.519 1.00 0.00 C ATOM 1576 O GLY A 106 102.704 5.990 3.354 1.00 0.00 O ATOM 0 H GLY A 106 103.461 8.135 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 106 101.252 8.608 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 106 102.896 8.434 1.648 1.00 0.00 H new ATOM 1580 N PHE A 107 101.272 6.085 1.619 1.00 0.00 N ATOM 1581 CA PHE A 107 101.041 4.639 1.588 1.00 0.00 C ATOM 1582 C PHE A 107 101.626 4.029 0.318 1.00 0.00 C ATOM 1583 O PHE A 107 101.575 4.648 -0.745 1.00 0.00 O ATOM 1584 CB PHE A 107 99.539 4.354 1.644 1.00 0.00 C ATOM 1585 CG PHE A 107 98.880 4.854 2.907 1.00 0.00 C ATOM 1586 CD1 PHE A 107 98.881 4.060 4.060 1.00 0.00 C ATOM 1587 CD2 PHE A 107 98.268 6.113 2.927 1.00 0.00 C ATOM 1588 CE1 PHE A 107 98.271 4.524 5.232 1.00 0.00 C ATOM 1589 CE2 PHE A 107 97.658 6.578 4.097 1.00 0.00 C ATOM 1590 CZ PHE A 107 97.660 5.784 5.250 1.00 0.00 C ATOM 0 H PHE A 107 100.768 6.609 0.904 1.00 0.00 H new ATOM 0 HA PHE A 107 101.532 4.192 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 107 99.057 4.817 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 107 99.377 3.279 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 107 99.353 3.089 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 107 98.267 6.726 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 107 98.272 3.911 6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 107 97.186 7.549 4.111 1.00 0.00 H new ATOM 0 HZ PHE A 107 97.190 6.143 6.154 1.00 0.00 H new ATOM 1600 N SER A 108 102.173 2.814 0.421 1.00 0.00 N ATOM 1601 CA SER A 108 102.779 2.162 -0.739 1.00 0.00 C ATOM 1602 C SER A 108 102.278 0.728 -0.892 1.00 0.00 C ATOM 1603 O SER A 108 102.129 0.007 0.094 1.00 0.00 O ATOM 1604 CB SER A 108 104.300 2.151 -0.588 1.00 0.00 C ATOM 1605 OG SER A 108 104.882 1.622 -1.772 1.00 0.00 O ATOM 0 H SER A 108 102.208 2.270 1.283 1.00 0.00 H new ATOM 0 HA SER A 108 102.495 2.724 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.667 3.161 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.588 1.549 0.274 1.00 0.00 H new ATOM 0 HG SER A 108 105.858 1.614 -1.682 1.00 0.00 H new ATOM 1611 N TYR A 109 102.023 0.334 -2.139 1.00 0.00 N ATOM 1612 CA TYR A 109 101.591 -1.026 -2.450 1.00 0.00 C ATOM 1613 C TYR A 109 102.329 -1.522 -3.691 1.00 0.00 C ATOM 1614 O TYR A 109 102.568 -0.737 -4.609 1.00 0.00 O ATOM 1615 CB TYR A 109 100.085 -1.039 -2.724 1.00 0.00 C ATOM 1616 CG TYR A 109 99.259 -0.429 -1.616 1.00 0.00 C ATOM 1617 CD1 TYR A 109 98.969 0.939 -1.633 1.00 0.00 C ATOM 1618 CD2 TYR A 109 98.787 -1.231 -0.570 1.00 0.00 C ATOM 1619 CE1 TYR A 109 98.205 1.507 -0.606 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.024 -0.665 0.458 1.00 0.00 C ATOM 1621 CZ TYR A 109 97.732 0.705 0.439 1.00 0.00 C ATOM 1622 OH TYR A 109 96.979 1.264 1.452 1.00 0.00 O ATOM 0 H TYR A 109 102.109 0.942 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 109 101.813 -1.676 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.889 -0.499 -3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.762 -2.068 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.335 1.558 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.012 -2.287 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 109 97.981 2.563 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 109 97.661 -1.284 1.265 1.00 0.00 H new ATOM 0 HH TYR A 109 96.730 0.569 2.096 1.00 0.00 H new ATOM 1632 N GLY A 110 102.695 -2.806 -3.728 1.00 0.00 N ATOM 1633 CA GLY A 110 103.365 -3.345 -4.911 1.00 0.00 C ATOM 1634 C GLY A 110 103.503 -4.861 -4.854 1.00 0.00 C ATOM 1635 O GLY A 110 103.048 -5.501 -3.909 1.00 0.00 O ATOM 0 H GLY A 110 102.544 -3.475 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 110 102.804 -3.066 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.354 -2.895 -5.003 1.00 0.00 H new ATOM 1639 N ALA A 111 104.142 -5.425 -5.874 1.00 0.00 N ATOM 1640 CA ALA A 111 104.366 -6.865 -5.937 1.00 0.00 C ATOM 1641 C ALA A 111 105.729 -7.155 -6.559 1.00 0.00 C ATOM 1642 O ALA A 111 106.289 -6.311 -7.258 1.00 0.00 O ATOM 1643 CB ALA A 111 103.269 -7.532 -6.770 1.00 0.00 C ATOM 0 H ALA A 111 104.514 -4.906 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 111 104.341 -7.268 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.446 -8.607 -6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 111 102.298 -7.341 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.281 -7.124 -7.781 1.00 0.00 H new ATOM 1649 N GLY A 112 106.260 -8.348 -6.302 1.00 0.00 N ATOM 1650 CA GLY A 112 107.580 -8.702 -6.812 1.00 0.00 C ATOM 1651 C GLY A 112 107.653 -10.176 -7.196 1.00 0.00 C ATOM 1652 O GLY A 112 106.863 -10.990 -6.718 1.00 0.00 O ATOM 0 H GLY A 112 105.804 -9.076 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 112 107.813 -8.086 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 112 108.334 -8.484 -6.056 1.00 0.00 H new ATOM 1656 N LEU A 113 108.613 -10.501 -8.058 1.00 0.00 N ATOM 1657 CA LEU A 113 108.820 -11.874 -8.505 1.00 0.00 C ATOM 1658 C LEU A 113 110.266 -12.286 -8.251 1.00 0.00 C ATOM 1659 O LEU A 113 111.188 -11.503 -8.493 1.00 0.00 O ATOM 1660 CB LEU A 113 108.494 -11.979 -9.998 1.00 0.00 C ATOM 1661 CG LEU A 113 108.451 -13.454 -10.436 1.00 0.00 C ATOM 1662 CD1 LEU A 113 107.442 -13.629 -11.576 1.00 0.00 C ATOM 1663 CD2 LEU A 113 109.837 -13.896 -10.924 1.00 0.00 C ATOM 0 H LEU A 113 109.263 -9.827 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 113 108.162 -12.542 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 113 107.534 -11.505 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 113 109.244 -11.442 -10.579 1.00 0.00 H new ATOM 0 HG LEU A 113 108.152 -14.064 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 113 107.416 -14.675 -11.882 1.00 0.00 H new ATOM 0 HD12 LEU A 113 106.452 -13.326 -11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 113 107.739 -13.011 -12.423 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.798 -14.941 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 113 110.139 -13.279 -11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.560 -13.783 -10.117 1.00 0.00 H new ATOM 1675 N GLN A 114 110.454 -13.503 -7.747 1.00 0.00 N ATOM 1676 CA GLN A 114 111.790 -14.017 -7.460 1.00 0.00 C ATOM 1677 C GLN A 114 112.157 -15.125 -8.443 1.00 0.00 C ATOM 1678 O GLN A 114 111.390 -16.068 -8.641 1.00 0.00 O ATOM 1679 CB GLN A 114 111.833 -14.565 -6.031 1.00 0.00 C ATOM 1680 CG GLN A 114 113.265 -14.960 -5.664 1.00 0.00 C ATOM 1681 CD GLN A 114 114.097 -13.713 -5.384 1.00 0.00 C ATOM 1682 OE1 GLN A 114 113.772 -12.938 -4.483 1.00 0.00 O ATOM 1683 NE2 GLN A 114 115.161 -13.475 -6.100 1.00 0.00 N ATOM 0 H GLN A 114 109.698 -14.152 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 114 112.508 -13.204 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.464 -13.813 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 114 111.175 -15.430 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 114 113.259 -15.607 -4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 114 113.713 -15.531 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 114 115.428 -14.118 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 114 115.726 -12.646 -5.914 1.00 0.00 H new ATOM 1692 N PHE A 115 113.332 -15.010 -9.058 1.00 0.00 N ATOM 1693 CA PHE A 115 113.797 -16.014 -10.011 1.00 0.00 C ATOM 1694 C PHE A 115 115.146 -16.565 -9.560 1.00 0.00 C ATOM 1695 O PHE A 115 115.985 -15.816 -9.064 1.00 0.00 O ATOM 1696 CB PHE A 115 113.930 -15.389 -11.401 1.00 0.00 C ATOM 1697 CG PHE A 115 114.263 -16.389 -12.483 1.00 0.00 C ATOM 1698 CD1 PHE A 115 113.250 -17.178 -13.042 1.00 0.00 C ATOM 1699 CD2 PHE A 115 115.583 -16.525 -12.929 1.00 0.00 C ATOM 1700 CE1 PHE A 115 113.558 -18.103 -14.046 1.00 0.00 C ATOM 1701 CE2 PHE A 115 115.890 -17.451 -13.933 1.00 0.00 C ATOM 1702 CZ PHE A 115 114.878 -18.240 -14.493 1.00 0.00 C ATOM 0 H PHE A 115 113.978 -14.234 -8.914 1.00 0.00 H new ATOM 0 HA PHE A 115 113.074 -16.828 -10.055 1.00 0.00 H new ATOM 0 HB2 PHE A 115 112.996 -14.888 -11.656 1.00 0.00 H new ATOM 0 HB3 PHE A 115 114.706 -14.624 -11.374 1.00 0.00 H new ATOM 0 HD1 PHE A 115 112.232 -17.073 -12.698 1.00 0.00 H new ATOM 0 HD2 PHE A 115 116.364 -15.916 -12.499 1.00 0.00 H new ATOM 0 HE1 PHE A 115 112.777 -18.712 -14.477 1.00 0.00 H new ATOM 0 HE2 PHE A 115 116.909 -17.557 -14.276 1.00 0.00 H new ATOM 0 HZ PHE A 115 115.115 -18.953 -15.269 1.00 0.00 H new ATOM 1712 N ASN A 116 115.355 -17.866 -9.741 1.00 0.00 N ATOM 1713 CA ASN A 116 116.580 -18.513 -9.274 1.00 0.00 C ATOM 1714 C ASN A 116 117.355 -19.135 -10.441 1.00 0.00 C ATOM 1715 O ASN A 116 117.222 -20.333 -10.700 1.00 0.00 O ATOM 1716 CB ASN A 116 116.235 -19.592 -8.242 1.00 0.00 C ATOM 1717 CG ASN A 116 115.239 -20.586 -8.831 1.00 0.00 C ATOM 1718 OD1 ASN A 116 114.076 -20.246 -9.047 1.00 0.00 O ATOM 1719 ND2 ASN A 116 115.628 -21.802 -9.104 1.00 0.00 N ATOM 0 H ASN A 116 114.696 -18.491 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 116 117.213 -17.755 -8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 116 117.141 -20.114 -7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 116 115.814 -19.130 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 116 114.968 -22.473 -9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 116 116.592 -22.081 -8.924 1.00 0.00 H new ATOM 1726 N PRO A 117 118.150 -18.362 -11.155 1.00 0.00 N ATOM 1727 CA PRO A 117 119.006 -18.924 -12.243 1.00 0.00 C ATOM 1728 C PRO A 117 120.006 -19.933 -11.685 1.00 0.00 C ATOM 1729 O PRO A 117 120.254 -20.980 -12.283 1.00 0.00 O ATOM 1730 CB PRO A 117 119.723 -17.710 -12.849 1.00 0.00 C ATOM 1731 CG PRO A 117 118.964 -16.515 -12.382 1.00 0.00 C ATOM 1732 CD PRO A 117 118.337 -16.901 -11.046 1.00 0.00 C ATOM 0 HA PRO A 117 118.421 -19.463 -12.988 1.00 0.00 H new ATOM 0 HB2 PRO A 117 120.762 -17.666 -12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 117 119.734 -17.765 -13.938 1.00 0.00 H new ATOM 0 HG2 PRO A 117 119.624 -15.655 -12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 117 118.198 -16.234 -13.105 1.00 0.00 H new ATOM 0 HD2 PRO A 117 118.986 -16.642 -10.210 1.00 0.00 H new ATOM 0 HD3 PRO A 117 117.389 -16.387 -10.885 1.00 0.00 H new ATOM 1740 N MET A 118 120.576 -19.599 -10.531 1.00 0.00 N ATOM 1741 CA MET A 118 121.506 -20.491 -9.845 1.00 0.00 C ATOM 1742 C MET A 118 121.045 -20.714 -8.408 1.00 0.00 C ATOM 1743 O MET A 118 120.300 -19.903 -7.857 1.00 0.00 O ATOM 1744 CB MET A 118 122.911 -19.885 -9.848 1.00 0.00 C ATOM 1745 CG MET A 118 123.430 -19.803 -11.284 1.00 0.00 C ATOM 1746 SD MET A 118 125.134 -19.195 -11.277 1.00 0.00 S ATOM 1747 CE MET A 118 125.349 -19.100 -13.072 1.00 0.00 C ATOM 0 H MET A 118 120.410 -18.715 -10.050 1.00 0.00 H new ATOM 0 HA MET A 118 121.529 -21.447 -10.367 1.00 0.00 H new ATOM 0 HB2 MET A 118 122.891 -18.891 -9.400 1.00 0.00 H new ATOM 0 HB3 MET A 118 123.582 -20.494 -9.242 1.00 0.00 H new ATOM 0 HG2 MET A 118 123.385 -20.785 -11.755 1.00 0.00 H new ATOM 0 HG3 MET A 118 122.798 -19.138 -11.873 1.00 0.00 H new ATOM 0 HE1 MET A 118 126.352 -18.740 -13.300 1.00 0.00 H new ATOM 0 HE2 MET A 118 125.211 -20.090 -13.508 1.00 0.00 H new ATOM 0 HE3 MET A 118 124.613 -18.413 -13.491 1.00 0.00 H new ATOM 1757 N GLU A 119 121.489 -21.811 -7.807 1.00 0.00 N ATOM 1758 CA GLU A 119 121.077 -22.142 -6.448 1.00 0.00 C ATOM 1759 C GLU A 119 121.515 -21.064 -5.459 1.00 0.00 C ATOM 1760 O GLU A 119 120.790 -20.747 -4.515 1.00 0.00 O ATOM 1761 CB GLU A 119 121.678 -23.487 -6.035 1.00 0.00 C ATOM 1762 CG GLU A 119 121.125 -24.596 -6.937 1.00 0.00 C ATOM 1763 CD GLU A 119 121.631 -25.979 -6.515 1.00 0.00 C ATOM 1764 OE1 GLU A 119 122.525 -26.061 -5.684 1.00 0.00 O ATOM 1765 OE2 GLU A 119 121.110 -26.950 -7.037 1.00 0.00 O ATOM 0 H GLU A 119 122.128 -22.481 -8.234 1.00 0.00 H new ATOM 0 HA GLU A 119 119.989 -22.203 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 119 122.765 -23.450 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 119 121.439 -23.699 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 119 120.036 -24.582 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 119 121.415 -24.403 -7.970 1.00 0.00 H new ATOM 1772 N ASN A 120 122.701 -20.501 -5.676 1.00 0.00 N ATOM 1773 CA ASN A 120 123.236 -19.488 -4.765 1.00 0.00 C ATOM 1774 C ASN A 120 122.987 -18.047 -5.237 1.00 0.00 C ATOM 1775 O ASN A 120 123.444 -17.106 -4.590 1.00 0.00 O ATOM 1776 CB ASN A 120 124.739 -19.716 -4.571 1.00 0.00 C ATOM 1777 CG ASN A 120 125.500 -19.472 -5.872 1.00 0.00 C ATOM 1778 OD1 ASN A 120 124.922 -19.550 -6.956 1.00 0.00 O ATOM 1779 ND2 ASN A 120 126.771 -19.181 -5.828 1.00 0.00 N ATOM 0 H ASN A 120 123.306 -20.725 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 120 122.703 -19.602 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 120 125.115 -19.049 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 120 124.915 -20.736 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 120 127.287 -19.018 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 120 127.249 -19.117 -4.929 1.00 0.00 H new ATOM 1786 N VAL A 121 122.273 -17.861 -6.350 1.00 0.00 N ATOM 1787 CA VAL A 121 121.978 -16.518 -6.847 1.00 0.00 C ATOM 1788 C VAL A 121 120.500 -16.393 -7.210 1.00 0.00 C ATOM 1789 O VAL A 121 119.935 -17.271 -7.861 1.00 0.00 O ATOM 1790 CB VAL A 121 122.846 -16.203 -8.073 1.00 0.00 C ATOM 1791 CG1 VAL A 121 122.600 -14.763 -8.537 1.00 0.00 C ATOM 1792 CG2 VAL A 121 124.326 -16.356 -7.712 1.00 0.00 C ATOM 0 H VAL A 121 121.892 -18.617 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 121 122.205 -15.802 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 121 122.583 -16.896 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 121 123.221 -14.550 -9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 121 121.550 -14.640 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 121 122.854 -14.073 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 121 124.939 -16.131 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 121 124.577 -15.667 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 121 124.518 -17.379 -7.388 1.00 0.00 H new ATOM 1802 N ALA A 122 119.883 -15.295 -6.782 1.00 0.00 N ATOM 1803 CA ALA A 122 118.491 -15.027 -7.130 1.00 0.00 C ATOM 1804 C ALA A 122 118.299 -13.543 -7.421 1.00 0.00 C ATOM 1805 O ALA A 122 119.014 -12.704 -6.876 1.00 0.00 O ATOM 1806 CB ALA A 122 117.573 -15.450 -5.981 1.00 0.00 C ATOM 0 H ALA A 122 120.321 -14.582 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 122 118.237 -15.600 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.536 -15.246 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 122 117.696 -16.516 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 122 117.832 -14.889 -5.083 1.00 0.00 H new ATOM 1812 N LEU A 123 117.326 -13.226 -8.272 1.00 0.00 N ATOM 1813 CA LEU A 123 117.064 -11.841 -8.658 1.00 0.00 C ATOM 1814 C LEU A 123 115.626 -11.477 -8.308 1.00 0.00 C ATOM 1815 O LEU A 123 114.729 -12.307 -8.435 1.00 0.00 O ATOM 1816 CB LEU A 123 117.280 -11.658 -10.168 1.00 0.00 C ATOM 1817 CG LEU A 123 118.760 -11.424 -10.522 1.00 0.00 C ATOM 1818 CD1 LEU A 123 119.236 -10.089 -9.943 1.00 0.00 C ATOM 1819 CD2 LEU A 123 119.641 -12.558 -9.985 1.00 0.00 C ATOM 0 H LEU A 123 116.706 -13.909 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 123 117.752 -11.190 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 123 116.918 -12.541 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 123 116.687 -10.813 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 123 118.846 -11.402 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 123 120.284 -9.934 -10.200 1.00 0.00 H new ATOM 0 HD12 LEU A 123 118.637 -9.278 -10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 123 119.126 -10.103 -8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 123 120.681 -12.367 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 123 119.546 -12.610 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 123 119.323 -13.504 -10.423 1.00 0.00 H new ATOM 1831 N ASP A 124 115.409 -10.238 -7.873 1.00 0.00 N ATOM 1832 CA ASP A 124 114.073 -9.803 -7.473 1.00 0.00 C ATOM 1833 C ASP A 124 113.692 -8.522 -8.201 1.00 0.00 C ATOM 1834 O ASP A 124 114.449 -7.551 -8.194 1.00 0.00 O ATOM 1835 CB ASP A 124 114.036 -9.562 -5.962 1.00 0.00 C ATOM 1836 CG ASP A 124 115.066 -8.505 -5.576 1.00 0.00 C ATOM 1837 OD1 ASP A 124 116.195 -8.878 -5.305 1.00 0.00 O ATOM 1838 OD2 ASP A 124 114.708 -7.339 -5.557 1.00 0.00 O ATOM 0 H ASP A 124 116.133 -9.524 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 124 113.360 -10.585 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 124 113.040 -9.237 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 124 114.241 -10.492 -5.432 1.00 0.00 H new ATOM 1843 N PHE A 125 112.530 -8.540 -8.849 1.00 0.00 N ATOM 1844 CA PHE A 125 112.016 -7.356 -9.531 1.00 0.00 C ATOM 1845 C PHE A 125 110.651 -6.996 -8.960 1.00 0.00 C ATOM 1846 O PHE A 125 109.802 -7.869 -8.798 1.00 0.00 O ATOM 1847 CB PHE A 125 111.891 -7.627 -11.031 1.00 0.00 C ATOM 1848 CG PHE A 125 113.214 -7.918 -11.701 1.00 0.00 C ATOM 1849 CD1 PHE A 125 113.680 -9.235 -11.787 1.00 0.00 C ATOM 1850 CD2 PHE A 125 113.972 -6.871 -12.239 1.00 0.00 C ATOM 1851 CE1 PHE A 125 114.905 -9.505 -12.409 1.00 0.00 C ATOM 1852 CE2 PHE A 125 115.197 -7.141 -12.861 1.00 0.00 C ATOM 1853 CZ PHE A 125 115.663 -8.458 -12.945 1.00 0.00 C ATOM 0 H PHE A 125 111.927 -9.360 -8.916 1.00 0.00 H new ATOM 0 HA PHE A 125 112.707 -6.527 -9.378 1.00 0.00 H new ATOM 0 HB2 PHE A 125 111.220 -8.472 -11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 125 111.431 -6.764 -11.512 1.00 0.00 H new ATOM 0 HD1 PHE A 125 113.095 -10.043 -11.374 1.00 0.00 H new ATOM 0 HD2 PHE A 125 113.612 -5.855 -12.174 1.00 0.00 H new ATOM 0 HE1 PHE A 125 115.265 -10.521 -12.475 1.00 0.00 H new ATOM 0 HE2 PHE A 125 115.782 -6.333 -13.276 1.00 0.00 H new ATOM 0 HZ PHE A 125 116.608 -8.666 -13.424 1.00 0.00 H new ATOM 1863 N SER A 126 110.444 -5.720 -8.650 1.00 0.00 N ATOM 1864 CA SER A 126 109.180 -5.291 -8.061 1.00 0.00 C ATOM 1865 C SER A 126 108.762 -3.920 -8.582 1.00 0.00 C ATOM 1866 O SER A 126 109.599 -3.047 -8.809 1.00 0.00 O ATOM 1867 CB SER A 126 109.307 -5.238 -6.539 1.00 0.00 C ATOM 1868 OG SER A 126 108.039 -4.934 -5.975 1.00 0.00 O ATOM 0 H SER A 126 111.125 -4.974 -8.794 1.00 0.00 H new ATOM 0 HA SER A 126 108.416 -6.015 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 126 109.668 -6.194 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 126 110.038 -4.483 -6.249 1.00 0.00 H new ATOM 0 HG SER A 126 107.333 -5.155 -6.618 1.00 0.00 H new ATOM 1874 N TYR A 127 107.457 -3.745 -8.767 1.00 0.00 N ATOM 1875 CA TYR A 127 106.905 -2.455 -9.167 1.00 0.00 C ATOM 1876 C TYR A 127 106.016 -1.915 -8.051 1.00 0.00 C ATOM 1877 O TYR A 127 105.065 -2.574 -7.632 1.00 0.00 O ATOM 1878 CB TYR A 127 106.084 -2.613 -10.448 1.00 0.00 C ATOM 1879 CG TYR A 127 105.533 -1.310 -10.974 1.00 0.00 C ATOM 1880 CD1 TYR A 127 106.319 -0.501 -11.803 1.00 0.00 C ATOM 1881 CD2 TYR A 127 104.237 -0.909 -10.630 1.00 0.00 C ATOM 1882 CE1 TYR A 127 105.809 0.708 -12.290 1.00 0.00 C ATOM 1883 CE2 TYR A 127 103.726 0.301 -11.117 1.00 0.00 C ATOM 1884 CZ TYR A 127 104.512 1.109 -11.947 1.00 0.00 C ATOM 1885 OH TYR A 127 104.010 2.301 -12.425 1.00 0.00 O ATOM 0 H TYR A 127 106.761 -4.481 -8.646 1.00 0.00 H new ATOM 0 HA TYR A 127 107.721 -1.757 -9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 127 106.708 -3.071 -11.216 1.00 0.00 H new ATOM 0 HB3 TYR A 127 105.257 -3.298 -10.258 1.00 0.00 H new ATOM 0 HD1 TYR A 127 107.320 -0.810 -12.067 1.00 0.00 H new ATOM 0 HD2 TYR A 127 103.631 -1.532 -9.989 1.00 0.00 H new ATOM 0 HE1 TYR A 127 106.416 1.331 -12.930 1.00 0.00 H new ATOM 0 HE2 TYR A 127 102.726 0.610 -10.852 1.00 0.00 H new ATOM 0 HH TYR A 127 104.413 2.500 -13.296 1.00 0.00 H new ATOM 1895 N GLU A 128 106.328 -0.713 -7.573 1.00 0.00 N ATOM 1896 CA GLU A 128 105.606 -0.133 -6.443 1.00 0.00 C ATOM 1897 C GLU A 128 105.028 1.234 -6.796 1.00 0.00 C ATOM 1898 O GLU A 128 105.682 2.047 -7.447 1.00 0.00 O ATOM 1899 CB GLU A 128 106.553 0.012 -5.249 1.00 0.00 C ATOM 1900 CG GLU A 128 107.057 -1.371 -4.823 1.00 0.00 C ATOM 1901 CD GLU A 128 107.944 -1.294 -3.574 1.00 0.00 C ATOM 1902 OE1 GLU A 128 108.315 -0.201 -3.171 1.00 0.00 O ATOM 1903 OE2 GLU A 128 108.242 -2.346 -3.032 1.00 0.00 O ATOM 0 H GLU A 128 107.072 -0.124 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 128 104.782 -0.800 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 128 107.395 0.651 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 128 106.037 0.494 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 128 106.206 -2.023 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 128 107.619 -1.821 -5.641 1.00 0.00 H new ATOM 1910 N GLN A 129 103.795 1.473 -6.361 1.00 0.00 N ATOM 1911 CA GLN A 129 103.157 2.773 -6.537 1.00 0.00 C ATOM 1912 C GLN A 129 102.882 3.380 -5.168 1.00 0.00 C ATOM 1913 O GLN A 129 102.490 2.670 -4.241 1.00 0.00 O ATOM 1914 CB GLN A 129 101.840 2.620 -7.302 1.00 0.00 C ATOM 1915 CG GLN A 129 102.121 2.130 -8.724 1.00 0.00 C ATOM 1916 CD GLN A 129 100.812 1.889 -9.473 1.00 0.00 C ATOM 1917 OE1 GLN A 129 99.757 1.726 -8.859 1.00 0.00 O ATOM 1918 NE2 GLN A 129 100.815 1.866 -10.778 1.00 0.00 N ATOM 0 H GLN A 129 103.217 0.782 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 129 103.820 3.423 -7.108 1.00 0.00 H new ATOM 0 HB2 GLN A 129 101.189 1.914 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.314 3.574 -7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 129 102.722 2.867 -9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 129 102.703 1.209 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 129 101.688 2.001 -11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 129 99.945 1.713 -11.287 1.00 0.00 H new ATOM 1927 N SER A 130 103.095 4.686 -5.035 1.00 0.00 N ATOM 1928 CA SER A 130 102.916 5.350 -3.747 1.00 0.00 C ATOM 1929 C SER A 130 102.102 6.628 -3.899 1.00 0.00 C ATOM 1930 O SER A 130 102.270 7.374 -4.864 1.00 0.00 O ATOM 1931 CB SER A 130 104.280 5.686 -3.143 1.00 0.00 C ATOM 1932 OG SER A 130 104.095 6.226 -1.842 1.00 0.00 O ATOM 0 H SER A 130 103.389 5.300 -5.794 1.00 0.00 H new ATOM 0 HA SER A 130 102.376 4.671 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.900 4.791 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.805 6.402 -3.776 1.00 0.00 H new ATOM 0 HG SER A 130 103.315 5.807 -1.422 1.00 0.00 H new ATOM 1938 N ARG A 131 101.230 6.871 -2.927 1.00 0.00 N ATOM 1939 CA ARG A 131 100.438 8.095 -2.892 1.00 0.00 C ATOM 1940 C ARG A 131 100.862 8.935 -1.693 1.00 0.00 C ATOM 1941 O ARG A 131 100.753 8.489 -0.549 1.00 0.00 O ATOM 1942 CB ARG A 131 98.950 7.754 -2.783 1.00 0.00 C ATOM 1943 CG ARG A 131 98.122 9.037 -2.879 1.00 0.00 C ATOM 1944 CD ARG A 131 96.639 8.700 -2.708 1.00 0.00 C ATOM 1945 NE ARG A 131 95.820 9.898 -2.913 1.00 0.00 N ATOM 1946 CZ ARG A 131 94.556 10.015 -2.479 1.00 0.00 C ATOM 1947 NH1 ARG A 131 93.949 9.051 -1.827 1.00 0.00 N ATOM 1948 NH2 ARG A 131 93.909 11.123 -2.711 1.00 0.00 N ATOM 0 H ARG A 131 101.053 6.234 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 131 100.604 8.658 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.665 7.065 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.750 7.250 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 131 98.436 9.744 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 131 98.288 9.519 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.350 7.927 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 131 96.463 8.297 -1.711 1.00 0.00 H new ATOM 0 HE ARG A 131 96.233 10.685 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 131 94.439 8.177 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 131 92.987 9.175 -1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 131 94.365 11.884 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 131 92.947 11.229 -2.388 1.00 0.00 H new ATOM 1962 N ILE A 132 101.373 10.130 -1.972 1.00 0.00 N ATOM 1963 CA ILE A 132 101.870 11.013 -0.923 1.00 0.00 C ATOM 1964 C ILE A 132 101.195 12.360 -1.100 1.00 0.00 C ATOM 1965 O ILE A 132 101.678 13.184 -1.876 1.00 0.00 O ATOM 1966 CB ILE A 132 103.389 11.167 -1.037 1.00 0.00 C ATOM 1967 CG1 ILE A 132 104.051 9.790 -0.942 1.00 0.00 C ATOM 1968 CG2 ILE A 132 103.906 12.055 0.097 1.00 0.00 C ATOM 1969 CD1 ILE A 132 105.549 9.922 -1.224 1.00 0.00 C ATOM 0 H ILE A 132 101.454 10.509 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 132 101.647 10.599 0.060 1.00 0.00 H new ATOM 0 HB ILE A 132 103.631 11.626 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.893 9.367 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.595 9.105 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 132 104.987 12.162 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 132 103.438 13.037 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.661 11.599 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 132 106.020 8.941 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.696 10.327 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.999 10.592 -0.492 1.00 0.00 H new ATOM 1981 N ARG A 133 100.095 12.567 -0.370 1.00 0.00 N ATOM 1982 CA ARG A 133 99.121 13.653 -0.604 1.00 0.00 C ATOM 1983 C ARG A 133 99.240 14.339 -1.973 1.00 0.00 C ATOM 1984 O ARG A 133 100.048 15.249 -2.154 1.00 0.00 O ATOM 1985 CB ARG A 133 99.279 14.710 0.489 1.00 0.00 C ATOM 1986 CG ARG A 133 98.928 14.099 1.848 1.00 0.00 C ATOM 1987 CD ARG A 133 99.072 15.162 2.938 1.00 0.00 C ATOM 1988 NE ARG A 133 98.028 16.181 2.794 1.00 0.00 N ATOM 1989 CZ ARG A 133 96.811 16.079 3.350 1.00 0.00 C ATOM 1990 NH1 ARG A 133 96.457 15.043 4.072 1.00 0.00 N ATOM 1991 NH2 ARG A 133 95.951 17.042 3.166 1.00 0.00 N ATOM 0 H ARG A 133 99.845 11.973 0.421 1.00 0.00 H new ATOM 0 HA ARG A 133 98.138 13.182 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.302 15.085 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.630 15.561 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 133 97.908 13.714 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.584 13.255 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 133 99.003 14.697 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 133 100.056 15.627 2.874 1.00 0.00 H new ATOM 0 HE ARG A 133 98.238 17.012 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 133 97.116 14.280 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 133 95.523 15.000 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 133 96.208 17.856 2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 133 95.021 16.982 3.581 1.00 0.00 H new ATOM 2005 N SER A 134 98.435 13.872 -2.924 1.00 0.00 N ATOM 2006 CA SER A 134 98.278 14.531 -4.226 1.00 0.00 C ATOM 2007 C SER A 134 99.487 14.351 -5.153 1.00 0.00 C ATOM 2008 O SER A 134 99.419 14.739 -6.321 1.00 0.00 O ATOM 2009 CB SER A 134 97.964 16.026 -4.053 1.00 0.00 C ATOM 2010 OG SER A 134 99.171 16.768 -3.932 1.00 0.00 O ATOM 0 H SER A 134 97.872 13.028 -2.818 1.00 0.00 H new ATOM 0 HA SER A 134 97.435 14.036 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 134 97.391 16.386 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 134 97.346 16.176 -3.168 1.00 0.00 H new ATOM 0 HG SER A 134 99.637 16.503 -3.112 1.00 0.00 H new ATOM 2016 N VAL A 135 100.588 13.775 -4.662 1.00 0.00 N ATOM 2017 CA VAL A 135 101.748 13.515 -5.512 1.00 0.00 C ATOM 2018 C VAL A 135 101.806 12.030 -5.858 1.00 0.00 C ATOM 2019 O VAL A 135 101.648 11.179 -4.982 1.00 0.00 O ATOM 2020 CB VAL A 135 103.038 13.934 -4.796 1.00 0.00 C ATOM 2021 CG1 VAL A 135 104.234 13.745 -5.733 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.951 15.407 -4.390 1.00 0.00 C ATOM 0 H VAL A 135 100.698 13.483 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 135 101.653 14.097 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 135 103.166 13.316 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 135 105.148 14.044 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 135 104.307 12.697 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 135 104.100 14.360 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.870 15.699 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.817 16.022 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.104 15.550 -3.719 1.00 0.00 H new ATOM 2032 N ASP A 136 102.027 11.731 -7.135 1.00 0.00 N ATOM 2033 CA ASP A 136 102.059 10.343 -7.595 1.00 0.00 C ATOM 2034 C ASP A 136 103.495 9.890 -7.840 1.00 0.00 C ATOM 2035 O ASP A 136 104.199 10.479 -8.657 1.00 0.00 O ATOM 2036 CB ASP A 136 101.253 10.204 -8.888 1.00 0.00 C ATOM 2037 CG ASP A 136 101.179 8.740 -9.304 1.00 0.00 C ATOM 2038 OD1 ASP A 136 100.311 8.045 -8.802 1.00 0.00 O ATOM 2039 OD2 ASP A 136 101.993 8.334 -10.117 1.00 0.00 O ATOM 0 H ASP A 136 102.186 12.424 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 136 101.619 9.714 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 136 100.248 10.600 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 136 101.717 10.792 -9.680 1.00 0.00 H new ATOM 2044 N VAL A 137 103.927 8.838 -7.146 1.00 0.00 N ATOM 2045 CA VAL A 137 105.304 8.358 -7.280 1.00 0.00 C ATOM 2046 C VAL A 137 105.319 6.930 -7.818 1.00 0.00 C ATOM 2047 O VAL A 137 104.579 6.072 -7.340 1.00 0.00 O ATOM 2048 CB VAL A 137 106.014 8.403 -5.920 1.00 0.00 C ATOM 2049 CG1 VAL A 137 107.483 8.003 -6.085 1.00 0.00 C ATOM 2050 CG2 VAL A 137 105.950 9.822 -5.344 1.00 0.00 C ATOM 0 H VAL A 137 103.352 8.306 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 137 105.829 9.007 -7.981 1.00 0.00 H new ATOM 0 HB VAL A 137 105.516 7.708 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 137 107.980 8.037 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 137 107.542 6.992 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 137 107.974 8.695 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 137 106.456 9.846 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 137 106.440 10.515 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 137 104.908 10.116 -5.215 1.00 0.00 H new ATOM 2060 N GLY A 138 106.169 6.688 -8.813 1.00 0.00 N ATOM 2061 CA GLY A 138 106.336 5.349 -9.370 1.00 0.00 C ATOM 2062 C GLY A 138 107.788 4.912 -9.228 1.00 0.00 C ATOM 2063 O GLY A 138 108.695 5.638 -9.633 1.00 0.00 O ATOM 0 H GLY A 138 106.752 7.402 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 138 105.682 4.646 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 138 106.045 5.343 -10.420 1.00 0.00 H new ATOM 2067 N THR A 139 108.011 3.737 -8.647 1.00 0.00 N ATOM 2068 CA THR A 139 109.371 3.269 -8.384 1.00 0.00 C ATOM 2069 C THR A 139 109.625 1.916 -9.040 1.00 0.00 C ATOM 2070 O THR A 139 108.797 1.008 -8.965 1.00 0.00 O ATOM 2071 CB THR A 139 109.586 3.149 -6.873 1.00 0.00 C ATOM 2072 OG1 THR A 139 109.253 4.381 -6.251 1.00 0.00 O ATOM 2073 CG2 THR A 139 111.050 2.810 -6.583 1.00 0.00 C ATOM 0 H THR A 139 107.276 3.095 -8.351 1.00 0.00 H new ATOM 0 HA THR A 139 110.069 3.992 -8.806 1.00 0.00 H new ATOM 0 HB THR A 139 108.950 2.356 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 139 109.389 4.306 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 139 111.198 2.726 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 139 111.306 1.864 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 139 111.691 3.599 -6.976 1.00 0.00 H new ATOM 2081 N TRP A 140 110.782 1.797 -9.685 1.00 0.00 N ATOM 2082 CA TRP A 140 111.223 0.523 -10.242 1.00 0.00 C ATOM 2083 C TRP A 140 112.470 0.059 -9.499 1.00 0.00 C ATOM 2084 O TRP A 140 113.478 0.767 -9.463 1.00 0.00 O ATOM 2085 CB TRP A 140 111.538 0.683 -11.730 1.00 0.00 C ATOM 2086 CG TRP A 140 111.986 -0.585 -12.387 1.00 0.00 C ATOM 2087 CD1 TRP A 140 111.467 -1.811 -12.147 1.00 0.00 C ATOM 2088 CD2 TRP A 140 113.031 -0.770 -13.387 1.00 0.00 C ATOM 2089 NE1 TRP A 140 112.126 -2.737 -12.934 1.00 0.00 N ATOM 2090 CE2 TRP A 140 113.099 -2.147 -13.715 1.00 0.00 C ATOM 2091 CE3 TRP A 140 113.916 0.109 -14.032 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 114.014 -2.630 -14.653 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 114.838 -0.373 -14.974 1.00 0.00 C ATOM 2094 CH2 TRP A 140 114.887 -1.739 -15.285 1.00 0.00 C ATOM 0 H TRP A 140 111.432 2.569 -9.835 1.00 0.00 H new ATOM 0 HA TRP A 140 110.430 -0.217 -10.128 1.00 0.00 H new ATOM 0 HB2 TRP A 140 110.651 1.054 -12.243 1.00 0.00 H new ATOM 0 HB3 TRP A 140 112.315 1.438 -11.849 1.00 0.00 H new ATOM 0 HD1 TRP A 140 110.668 -2.030 -11.454 1.00 0.00 H new ATOM 0 HE1 TRP A 140 111.918 -3.736 -12.937 1.00 0.00 H new ATOM 0 HE3 TRP A 140 113.887 1.164 -13.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 114.047 -3.684 -14.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 115.514 0.313 -15.462 1.00 0.00 H new ATOM 0 HH2 TRP A 140 115.598 -2.103 -16.012 1.00 0.00 H new ATOM 2105 N ILE A 141 112.404 -1.128 -8.903 1.00 0.00 N ATOM 2106 CA ILE A 141 113.501 -1.625 -8.076 1.00 0.00 C ATOM 2107 C ILE A 141 113.950 -3.011 -8.536 1.00 0.00 C ATOM 2108 O ILE A 141 113.129 -3.868 -8.865 1.00 0.00 O ATOM 2109 CB ILE A 141 113.050 -1.664 -6.609 1.00 0.00 C ATOM 2110 CG1 ILE A 141 114.203 -2.126 -5.713 1.00 0.00 C ATOM 2111 CG2 ILE A 141 111.867 -2.620 -6.449 1.00 0.00 C ATOM 2112 CD1 ILE A 141 113.865 -1.836 -4.249 1.00 0.00 C ATOM 0 H ILE A 141 111.608 -1.761 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 141 114.353 -0.953 -8.176 1.00 0.00 H new ATOM 0 HB ILE A 141 112.746 -0.660 -6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 141 114.379 -3.193 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 141 115.123 -1.612 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 141 111.555 -2.641 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 141 111.038 -2.280 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 141 112.164 -3.622 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 141 114.687 -2.166 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 141 113.711 -0.765 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 141 112.956 -2.370 -3.973 1.00 0.00 H new ATOM 2124 N ALA A 142 115.263 -3.214 -8.557 1.00 0.00 N ATOM 2125 CA ALA A 142 115.822 -4.520 -8.889 1.00 0.00 C ATOM 2126 C ALA A 142 117.027 -4.806 -7.999 1.00 0.00 C ATOM 2127 O ALA A 142 117.813 -3.903 -7.711 1.00 0.00 O ATOM 2128 CB ALA A 142 116.247 -4.551 -10.358 1.00 0.00 C ATOM 0 H ALA A 142 115.957 -2.496 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 142 115.062 -5.283 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 142 116.663 -5.530 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 142 115.381 -4.361 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 142 117.001 -3.784 -10.535 1.00 0.00 H new ATOM 2134 N GLY A 143 117.164 -6.055 -7.557 1.00 0.00 N ATOM 2135 CA GLY A 143 118.270 -6.410 -6.674 1.00 0.00 C ATOM 2136 C GLY A 143 118.678 -7.871 -6.832 1.00 0.00 C ATOM 2137 O GLY A 143 118.028 -8.636 -7.544 1.00 0.00 O ATOM 0 H GLY A 143 116.536 -6.824 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 143 119.125 -5.769 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 143 117.983 -6.223 -5.639 1.00 0.00 H new ATOM 2141 N VAL A 144 119.740 -8.249 -6.130 1.00 0.00 N ATOM 2142 CA VAL A 144 120.266 -9.607 -6.194 1.00 0.00 C ATOM 2143 C VAL A 144 120.619 -10.081 -4.787 1.00 0.00 C ATOM 2144 O VAL A 144 120.950 -9.265 -3.927 1.00 0.00 O ATOM 2145 CB VAL A 144 121.495 -9.652 -7.111 1.00 0.00 C ATOM 2146 CG1 VAL A 144 122.609 -8.761 -6.554 1.00 0.00 C ATOM 2147 CG2 VAL A 144 122.003 -11.092 -7.220 1.00 0.00 C ATOM 0 H VAL A 144 120.257 -7.629 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 144 119.510 -10.273 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 144 121.209 -9.287 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 144 123.474 -8.804 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 144 122.253 -7.733 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 144 122.893 -9.112 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 144 122.876 -11.121 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 144 122.277 -11.457 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 144 121.218 -11.724 -7.636 1.00 0.00 H new ATOM 2157 N GLY A 145 120.508 -11.384 -4.544 1.00 0.00 N ATOM 2158 CA GLY A 145 120.804 -11.921 -3.222 1.00 0.00 C ATOM 2159 C GLY A 145 121.300 -13.359 -3.296 1.00 0.00 C ATOM 2160 O GLY A 145 121.340 -13.959 -4.370 1.00 0.00 O ATOM 0 H GLY A 145 120.220 -12.077 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 145 121.558 -11.301 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 145 119.908 -11.876 -2.602 1.00 0.00 H new ATOM 2164 N TYR A 146 121.644 -13.908 -2.135 1.00 0.00 N ATOM 2165 CA TYR A 146 122.175 -15.263 -2.051 1.00 0.00 C ATOM 2166 C TYR A 146 121.510 -16.024 -0.909 1.00 0.00 C ATOM 2167 O TYR A 146 121.200 -15.445 0.131 1.00 0.00 O ATOM 2168 CB TYR A 146 123.694 -15.217 -1.850 1.00 0.00 C ATOM 2169 CG TYR A 146 124.123 -14.665 -0.509 1.00 0.00 C ATOM 2170 CD1 TYR A 146 124.255 -13.283 -0.333 1.00 0.00 C ATOM 2171 CD2 TYR A 146 124.390 -15.535 0.554 1.00 0.00 C ATOM 2172 CE1 TYR A 146 124.654 -12.770 0.908 1.00 0.00 C ATOM 2173 CE2 TYR A 146 124.789 -15.024 1.795 1.00 0.00 C ATOM 2174 CZ TYR A 146 124.921 -13.641 1.971 1.00 0.00 C ATOM 2175 OH TYR A 146 125.315 -13.136 3.194 1.00 0.00 O ATOM 0 H TYR A 146 121.564 -13.432 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 146 121.959 -15.785 -2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 146 124.095 -16.224 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 146 124.136 -14.609 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 146 124.049 -12.612 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 146 124.288 -16.601 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 146 124.756 -11.703 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 146 124.995 -15.696 2.615 1.00 0.00 H new ATOM 0 HH TYR A 146 125.459 -13.875 3.822 1.00 0.00 H new ATOM 2185 N ARG A 147 121.271 -17.315 -1.122 1.00 0.00 N ATOM 2186 CA ARG A 147 120.639 -18.150 -0.104 1.00 0.00 C ATOM 2187 C ARG A 147 121.661 -19.092 0.525 1.00 0.00 C ATOM 2188 O ARG A 147 122.522 -19.640 -0.164 1.00 0.00 O ATOM 2189 CB ARG A 147 119.508 -18.968 -0.730 1.00 0.00 C ATOM 2190 CG ARG A 147 118.751 -19.719 0.367 1.00 0.00 C ATOM 2191 CD ARG A 147 117.571 -20.471 -0.251 1.00 0.00 C ATOM 2192 NE ARG A 147 118.055 -21.575 -1.085 1.00 0.00 N ATOM 2193 CZ ARG A 147 117.248 -22.495 -1.635 1.00 0.00 C ATOM 2194 NH1 ARG A 147 115.948 -22.477 -1.468 1.00 0.00 N ATOM 2195 NH2 ARG A 147 117.776 -23.442 -2.362 1.00 0.00 N ATOM 0 H ARG A 147 121.504 -17.804 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 147 120.233 -17.501 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 147 118.827 -18.311 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 147 119.914 -19.674 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 147 119.418 -20.418 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.394 -19.019 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 147 116.924 -20.857 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 147 116.970 -19.788 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 147 119.058 -21.648 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 147 115.516 -21.745 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 147 115.368 -23.195 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 147 118.786 -23.473 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 147 117.179 -24.151 -2.788 1.00 0.00 H new ATOM 2209 N PHE A 148 121.559 -19.274 1.837 1.00 0.00 N ATOM 2210 CA PHE A 148 122.476 -20.153 2.553 1.00 0.00 C ATOM 2211 C PHE A 148 121.850 -20.647 3.856 1.00 0.00 C ATOM 2212 O PHE A 148 120.790 -20.157 4.208 1.00 0.00 O ATOM 2213 CB PHE A 148 123.777 -19.409 2.860 1.00 0.00 C ATOM 2214 CG PHE A 148 124.837 -20.283 3.488 1.00 0.00 C ATOM 2215 CD1 PHE A 148 125.679 -21.054 2.677 1.00 0.00 C ATOM 2216 CD2 PHE A 148 124.978 -20.321 4.880 1.00 0.00 C ATOM 2217 CE1 PHE A 148 126.661 -21.863 3.260 1.00 0.00 C ATOM 2218 CE2 PHE A 148 125.961 -21.130 5.462 1.00 0.00 C ATOM 2219 CZ PHE A 148 126.803 -21.902 4.652 1.00 0.00 C ATOM 2220 OXT PHE A 148 122.443 -21.509 4.482 1.00 0.00 O ATOM 0 H PHE A 148 120.854 -18.827 2.424 1.00 0.00 H new ATOM 0 HA PHE A 148 122.688 -21.015 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 148 124.169 -18.983 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 148 123.561 -18.576 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 148 125.571 -21.024 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 148 124.328 -19.726 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 148 127.310 -22.458 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 148 126.070 -21.159 6.536 1.00 0.00 H new ATOM 0 HZ PHE A 148 127.561 -22.527 5.101 1.00 0.00 H new TER 2230 PHE A 148