USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 815 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 77 LYS NZ :NH3+ 148:sc= 1.22 (180deg=-0.142) USER MOD Set 1.2: A 81 TYR OH : rot 30:sc= 1.13 USER MOD Set 2.1: A 23 CYS SG : rot -60:sc= -2.07 USER MOD Set 2.2: A 97 CYS SG : rot 180:sc= -0.302 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.402 K(o=0.4,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -88:sc= 1.33 USER MOD Single : A 26 SER OG : rot 21:sc= 0.159 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -90:sc= 0.317 USER MOD Single : A 33 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.016) USER MOD Single : A 35 MET CE :methyl -139:sc= -1.31 (180deg=-2.88!) USER MOD Single : A 40 GLN : amide:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 26:sc= -0.995 USER MOD Single : A 59 THR OG1 : rot 32:sc= 0.134 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0.568 (180deg=0.408) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -100:sc= 0.332 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 78 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.27) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.937 K(o=0.94,f=-5.5!) USER MOD Single : A 84 MET CE :methyl -147:sc= -1.4 (180deg=-3.62!) USER MOD Single : A 85 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.7!) USER MOD Single : A 86 SER OG : rot -39:sc= 0.267 USER MOD Single : A 88 LYS NZ :NH3+ 139:sc= -1.45 (180deg=-2.42!) USER MOD Single : A 92 THR OG1 : rot 81:sc= 0.595 USER MOD Single : A 95 TYR OH : rot -24:sc= 0.27 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.25 K(o=-1.2,f=0.33) USER MOD Single : A 117 THR OG1 : rot 120:sc= 0.347 USER MOD Single : A 118 GLN : amide:sc= -0.947 K(o=-0.95,f=-0.25) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.378 3.989 -5.525 1.00 0.00 N ATOM 38 CA LEU A 3 1.512 4.221 -6.439 1.00 0.00 C ATOM 39 C LEU A 3 1.791 5.740 -6.541 1.00 0.00 C ATOM 40 O LEU A 3 0.951 6.488 -7.045 1.00 0.00 O ATOM 41 CB LEU A 3 1.194 3.579 -7.843 1.00 0.00 C ATOM 42 CG LEU A 3 2.400 3.274 -8.808 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.046 4.542 -9.387 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.453 2.381 -8.126 1.00 0.00 C ATOM 0 HA LEU A 3 2.414 3.745 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.661 2.644 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.508 4.245 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 3 1.979 2.728 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.870 4.263 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.303 5.102 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.424 5.162 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.272 2.190 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.838 2.885 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.995 1.435 -7.835 1.00 0.00 H new ATOM 56 N GLN A 4 2.972 6.176 -6.056 1.00 0.00 N ATOM 57 CA GLN A 4 3.431 7.586 -6.144 1.00 0.00 C ATOM 58 C GLN A 4 4.048 7.859 -7.533 1.00 0.00 C ATOM 59 O GLN A 4 4.846 7.058 -8.019 1.00 0.00 O ATOM 60 CB GLN A 4 4.479 7.876 -5.027 1.00 0.00 C ATOM 61 CG GLN A 4 3.941 7.708 -3.594 1.00 0.00 C ATOM 62 CD GLN A 4 5.015 7.918 -2.519 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.680 6.977 -2.097 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.193 9.149 -2.079 1.00 0.00 N ATOM 0 H GLN A 4 3.639 5.561 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 4 2.574 8.245 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.331 7.210 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.848 8.895 -5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.129 8.417 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.518 6.709 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.624 9.910 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.899 9.339 -1.368 1.00 0.00 H new ATOM 73 N LEU A 5 3.653 8.976 -8.169 1.00 0.00 N ATOM 74 CA LEU A 5 4.223 9.455 -9.449 1.00 0.00 C ATOM 75 C LEU A 5 4.574 10.942 -9.302 1.00 0.00 C ATOM 76 O LEU A 5 3.712 11.746 -8.921 1.00 0.00 O ATOM 77 CB LEU A 5 3.214 9.247 -10.612 1.00 0.00 C ATOM 78 CG LEU A 5 2.949 7.774 -11.045 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.731 7.675 -11.981 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.210 7.151 -11.696 1.00 0.00 C ATOM 0 H LEU A 5 2.918 9.583 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 5 5.121 8.885 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.263 9.694 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.575 9.798 -11.480 1.00 0.00 H new ATOM 0 HG LEU A 5 2.719 7.201 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.574 6.634 -12.264 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.846 8.049 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.910 8.272 -12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.998 6.123 -11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.488 7.729 -12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.032 7.162 -10.980 1.00 0.00 H new ATOM 92 N VAL A 6 5.840 11.300 -9.574 1.00 0.00 N ATOM 93 CA VAL A 6 6.326 12.692 -9.477 1.00 0.00 C ATOM 94 C VAL A 6 6.876 13.146 -10.846 1.00 0.00 C ATOM 95 O VAL A 6 8.003 12.807 -11.213 1.00 0.00 O ATOM 96 CB VAL A 6 7.444 12.822 -8.367 1.00 0.00 C ATOM 97 CG1 VAL A 6 7.923 14.292 -8.200 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.953 12.238 -7.016 1.00 0.00 C ATOM 0 H VAL A 6 6.556 10.636 -9.867 1.00 0.00 H new ATOM 0 HA VAL A 6 5.492 13.334 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 6 8.303 12.238 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.691 14.339 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.335 14.650 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.079 14.919 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.740 12.339 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.067 12.780 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.707 11.184 -7.143 1.00 0.00 H new ATOM 108 N GLU A 7 6.070 13.928 -11.587 1.00 0.00 N ATOM 109 CA GLU A 7 6.451 14.458 -12.912 1.00 0.00 C ATOM 110 C GLU A 7 7.123 15.824 -12.746 1.00 0.00 C ATOM 111 O GLU A 7 6.620 16.674 -12.014 1.00 0.00 O ATOM 112 CB GLU A 7 5.228 14.589 -13.870 1.00 0.00 C ATOM 113 CG GLU A 7 4.465 13.276 -14.155 1.00 0.00 C ATOM 114 CD GLU A 7 3.386 12.927 -13.109 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.193 13.180 -13.366 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.718 12.416 -12.028 1.00 0.00 O ATOM 0 H GLU A 7 5.137 14.211 -11.286 1.00 0.00 H new ATOM 0 HA GLU A 7 7.145 13.748 -13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.530 15.310 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.573 15.002 -14.818 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.994 13.349 -15.135 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.182 12.457 -14.207 1.00 0.00 H new ATOM 123 N SER A 8 8.262 16.021 -13.419 1.00 0.00 N ATOM 124 CA SER A 8 9.032 17.277 -13.392 1.00 0.00 C ATOM 125 C SER A 8 9.655 17.528 -14.777 1.00 0.00 C ATOM 126 O SER A 8 9.720 16.617 -15.615 1.00 0.00 O ATOM 127 CB SER A 8 10.130 17.206 -12.295 1.00 0.00 C ATOM 128 OG SER A 8 9.571 17.032 -10.993 1.00 0.00 O ATOM 0 H SER A 8 8.684 15.303 -14.008 1.00 0.00 H new ATOM 0 HA SER A 8 8.367 18.107 -13.153 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.808 16.380 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.724 18.120 -12.316 1.00 0.00 H new ATOM 0 HG SER A 8 10.292 16.990 -10.330 1.00 0.00 H new ATOM 134 N GLY A 9 10.096 18.774 -15.014 1.00 0.00 N ATOM 135 CA GLY A 9 10.740 19.159 -16.279 1.00 0.00 C ATOM 136 C GLY A 9 9.956 20.226 -17.031 1.00 0.00 C ATOM 137 O GLY A 9 10.516 20.911 -17.883 1.00 0.00 O ATOM 0 H GLY A 9 10.017 19.536 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.745 19.528 -16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.847 18.278 -16.912 1.00 0.00 H new ATOM 141 N GLY A 10 8.659 20.357 -16.697 1.00 0.00 N ATOM 142 CA GLY A 10 7.759 21.317 -17.338 1.00 0.00 C ATOM 143 C GLY A 10 8.220 22.767 -17.172 1.00 0.00 C ATOM 144 O GLY A 10 8.356 23.254 -16.042 1.00 0.00 O ATOM 0 H GLY A 10 8.210 19.796 -15.973 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.684 21.084 -18.400 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.760 21.208 -16.917 1.00 0.00 H new ATOM 148 N GLY A 11 8.477 23.435 -18.313 1.00 0.00 N ATOM 149 CA GLY A 11 8.993 24.803 -18.347 1.00 0.00 C ATOM 150 C GLY A 11 8.700 25.493 -19.672 1.00 0.00 C ATOM 151 O GLY A 11 8.023 24.922 -20.541 1.00 0.00 O ATOM 0 H GLY A 11 8.329 23.032 -19.238 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.550 25.378 -17.534 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.070 24.788 -18.177 1.00 0.00 H new ATOM 155 N LEU A 12 9.210 26.724 -19.827 1.00 0.00 N ATOM 156 CA LEU A 12 8.984 27.547 -21.022 1.00 0.00 C ATOM 157 C LEU A 12 10.075 27.280 -22.069 1.00 0.00 C ATOM 158 O LEU A 12 11.253 27.562 -21.829 1.00 0.00 O ATOM 159 CB LEU A 12 8.950 29.047 -20.650 1.00 0.00 C ATOM 160 CG LEU A 12 8.503 30.022 -21.784 1.00 0.00 C ATOM 161 CD1 LEU A 12 7.006 29.869 -22.106 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.858 31.486 -21.450 1.00 0.00 C ATOM 0 H LEU A 12 9.793 27.177 -19.123 1.00 0.00 H new ATOM 0 HA LEU A 12 8.018 27.276 -21.449 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.278 29.176 -19.801 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.945 29.341 -20.316 1.00 0.00 H new ATOM 0 HG LEU A 12 9.060 29.748 -22.680 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.732 30.564 -22.900 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.806 28.848 -22.432 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.418 30.087 -21.214 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.531 32.134 -22.263 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.358 31.780 -20.528 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.937 31.579 -21.323 1.00 0.00 H new ATOM 174 N VAL A 13 9.674 26.709 -23.214 1.00 0.00 N ATOM 175 CA VAL A 13 10.549 26.528 -24.397 1.00 0.00 C ATOM 176 C VAL A 13 9.893 27.222 -25.594 1.00 0.00 C ATOM 177 O VAL A 13 8.676 27.254 -25.674 1.00 0.00 O ATOM 178 CB VAL A 13 10.806 24.996 -24.724 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.486 24.285 -23.529 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.499 24.256 -25.130 1.00 0.00 C ATOM 0 H VAL A 13 8.728 26.355 -23.353 1.00 0.00 H new ATOM 0 HA VAL A 13 11.522 26.970 -24.182 1.00 0.00 H new ATOM 0 HB VAL A 13 11.478 24.960 -25.581 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.652 23.236 -23.776 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.442 24.764 -23.317 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.843 24.353 -22.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.724 23.211 -25.344 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.780 24.312 -24.313 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.076 24.726 -26.018 1.00 0.00 H new ATOM 190 N GLN A 14 10.689 27.794 -26.506 1.00 0.00 N ATOM 191 CA GLN A 14 10.146 28.464 -27.713 1.00 0.00 C ATOM 192 C GLN A 14 9.670 27.418 -28.747 1.00 0.00 C ATOM 193 O GLN A 14 10.134 26.265 -28.734 1.00 0.00 O ATOM 194 CB GLN A 14 11.175 29.459 -28.350 1.00 0.00 C ATOM 195 CG GLN A 14 12.350 28.834 -29.149 1.00 0.00 C ATOM 196 CD GLN A 14 13.314 27.948 -28.343 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.520 28.138 -27.140 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.916 26.976 -29.012 1.00 0.00 N ATOM 0 H GLN A 14 11.707 27.811 -26.440 1.00 0.00 H new ATOM 0 HA GLN A 14 9.287 29.057 -27.398 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.631 30.131 -29.015 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.595 30.071 -27.552 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.935 28.239 -29.963 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.924 29.641 -29.605 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.724 26.846 -30.005 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.572 26.358 -28.534 1.00 0.00 H new ATOM 207 N ALA A 15 8.714 27.825 -29.606 1.00 0.00 N ATOM 208 CA ALA A 15 8.217 27.000 -30.724 1.00 0.00 C ATOM 209 C ALA A 15 9.361 26.602 -31.681 1.00 0.00 C ATOM 210 O ALA A 15 9.963 27.459 -32.337 1.00 0.00 O ATOM 211 CB ALA A 15 7.120 27.747 -31.487 1.00 0.00 C ATOM 0 H ALA A 15 8.264 28.738 -29.543 1.00 0.00 H new ATOM 0 HA ALA A 15 7.798 26.085 -30.306 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.762 27.127 -32.309 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.293 27.968 -30.812 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.523 28.679 -31.884 1.00 0.00 H new ATOM 217 N GLY A 16 9.652 25.295 -31.720 1.00 0.00 N ATOM 218 CA GLY A 16 10.754 24.721 -32.497 1.00 0.00 C ATOM 219 C GLY A 16 11.833 24.145 -31.593 1.00 0.00 C ATOM 220 O GLY A 16 12.815 23.552 -32.064 1.00 0.00 O ATOM 0 H GLY A 16 9.118 24.597 -31.203 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.370 23.938 -33.151 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.187 25.489 -33.138 1.00 0.00 H new ATOM 224 N GLY A 17 11.649 24.336 -30.278 1.00 0.00 N ATOM 225 CA GLY A 17 12.551 23.815 -29.259 1.00 0.00 C ATOM 226 C GLY A 17 12.141 22.438 -28.755 1.00 0.00 C ATOM 227 O GLY A 17 11.299 21.757 -29.370 1.00 0.00 O ATOM 0 H GLY A 17 10.862 24.861 -29.897 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.560 23.762 -29.667 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.583 24.509 -28.419 1.00 0.00 H new ATOM 231 N SER A 18 12.737 22.032 -27.625 1.00 0.00 N ATOM 232 CA SER A 18 12.546 20.699 -27.034 1.00 0.00 C ATOM 233 C SER A 18 12.481 20.777 -25.501 1.00 0.00 C ATOM 234 O SER A 18 13.115 21.643 -24.891 1.00 0.00 O ATOM 235 CB SER A 18 13.694 19.765 -27.471 1.00 0.00 C ATOM 236 OG SER A 18 14.976 20.291 -27.138 1.00 0.00 O ATOM 0 H SER A 18 13.371 22.625 -27.090 1.00 0.00 H new ATOM 0 HA SER A 18 11.597 20.298 -27.391 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.568 18.792 -26.996 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.638 19.604 -28.548 1.00 0.00 H new ATOM 0 HG SER A 18 15.672 19.667 -27.431 1.00 0.00 H new ATOM 242 N LEU A 19 11.737 19.837 -24.897 1.00 0.00 N ATOM 243 CA LEU A 19 11.585 19.732 -23.447 1.00 0.00 C ATOM 244 C LEU A 19 11.427 18.250 -23.064 1.00 0.00 C ATOM 245 O LEU A 19 10.531 17.568 -23.572 1.00 0.00 O ATOM 246 CB LEU A 19 10.355 20.554 -22.988 1.00 0.00 C ATOM 247 CG LEU A 19 10.200 20.729 -21.451 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.399 21.503 -20.850 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.862 21.404 -21.109 1.00 0.00 C ATOM 0 H LEU A 19 11.221 19.124 -25.412 1.00 0.00 H new ATOM 0 HA LEU A 19 12.468 20.134 -22.949 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.410 21.542 -23.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.455 20.074 -23.374 1.00 0.00 H new ATOM 0 HG LEU A 19 10.196 19.738 -20.998 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.261 21.609 -19.774 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.321 20.955 -21.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.460 22.491 -21.307 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.777 21.516 -20.028 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.819 22.386 -21.580 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.040 20.790 -21.476 1.00 0.00 H new ATOM 261 N ARG A 20 12.316 17.754 -22.186 1.00 0.00 N ATOM 262 CA ARG A 20 12.285 16.358 -21.712 1.00 0.00 C ATOM 263 C ARG A 20 11.699 16.294 -20.292 1.00 0.00 C ATOM 264 O ARG A 20 12.238 16.905 -19.363 1.00 0.00 O ATOM 265 CB ARG A 20 13.709 15.739 -21.741 1.00 0.00 C ATOM 266 CG ARG A 20 13.786 14.257 -21.291 1.00 0.00 C ATOM 267 CD ARG A 20 15.229 13.717 -21.275 1.00 0.00 C ATOM 268 NE ARG A 20 15.872 13.817 -22.601 1.00 0.00 N ATOM 269 CZ ARG A 20 17.082 13.332 -22.930 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.820 12.659 -22.047 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.546 13.534 -24.154 1.00 0.00 N ATOM 0 H ARG A 20 13.074 18.307 -21.786 1.00 0.00 H new ATOM 0 HA ARG A 20 11.648 15.778 -22.380 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.103 15.817 -22.755 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.361 16.333 -21.100 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.355 14.161 -20.294 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.181 13.646 -21.960 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.816 14.273 -20.544 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.223 12.676 -20.953 1.00 0.00 H new ATOM 0 HE ARG A 20 15.350 14.298 -23.334 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.469 12.504 -21.102 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.736 12.299 -22.317 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.987 14.052 -24.832 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.462 13.172 -24.418 1.00 0.00 H new ATOM 285 N LEU A 21 10.582 15.571 -20.148 1.00 0.00 N ATOM 286 CA LEU A 21 9.937 15.312 -18.856 1.00 0.00 C ATOM 287 C LEU A 21 10.542 14.059 -18.204 1.00 0.00 C ATOM 288 O LEU A 21 11.140 13.219 -18.889 1.00 0.00 O ATOM 289 CB LEU A 21 8.395 15.142 -19.026 1.00 0.00 C ATOM 290 CG LEU A 21 7.604 16.365 -19.602 1.00 0.00 C ATOM 291 CD1 LEU A 21 8.010 17.671 -18.906 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.742 16.473 -21.132 1.00 0.00 C ATOM 0 H LEU A 21 10.095 15.144 -20.936 1.00 0.00 H new ATOM 0 HA LEU A 21 10.114 16.170 -18.208 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.218 14.287 -19.678 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.972 14.893 -18.053 1.00 0.00 H new ATOM 0 HG LEU A 21 6.549 16.193 -19.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.443 18.500 -19.329 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.801 17.595 -17.839 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.075 17.847 -19.055 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.178 17.335 -21.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.793 16.594 -21.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.353 15.567 -21.597 1.00 0.00 H new ATOM 304 N SER A 22 10.408 13.966 -16.875 1.00 0.00 N ATOM 305 CA SER A 22 10.879 12.823 -16.081 1.00 0.00 C ATOM 306 C SER A 22 9.871 12.559 -14.945 1.00 0.00 C ATOM 307 O SER A 22 9.528 13.480 -14.204 1.00 0.00 O ATOM 308 CB SER A 22 12.286 13.119 -15.502 1.00 0.00 C ATOM 309 OG SER A 22 13.173 13.630 -16.489 1.00 0.00 O ATOM 0 H SER A 22 9.964 14.692 -16.313 1.00 0.00 H new ATOM 0 HA SER A 22 10.953 11.938 -16.713 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.199 13.837 -14.687 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.703 12.205 -15.078 1.00 0.00 H new ATOM 0 HG SER A 22 13.617 12.886 -16.946 1.00 0.00 H new ATOM 315 N CYS A 23 9.395 11.313 -14.826 1.00 0.00 N ATOM 316 CA CYS A 23 8.417 10.901 -13.802 1.00 0.00 C ATOM 317 C CYS A 23 9.032 9.827 -12.899 1.00 0.00 C ATOM 318 O CYS A 23 9.416 8.754 -13.372 1.00 0.00 O ATOM 319 CB CYS A 23 7.125 10.365 -14.452 1.00 0.00 C ATOM 320 SG CYS A 23 5.864 9.848 -13.261 1.00 0.00 S ATOM 0 H CYS A 23 9.679 10.552 -15.443 1.00 0.00 H new ATOM 0 HA CYS A 23 8.159 11.775 -13.204 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.707 11.138 -15.097 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.376 9.518 -15.091 1.00 0.00 H new ATOM 0 HG CYS A 23 6.338 8.897 -12.512 1.00 0.00 H new ATOM 326 N VAL A 24 9.112 10.123 -11.599 1.00 0.00 N ATOM 327 CA VAL A 24 9.676 9.217 -10.596 1.00 0.00 C ATOM 328 C VAL A 24 8.585 8.233 -10.134 1.00 0.00 C ATOM 329 O VAL A 24 7.574 8.644 -9.543 1.00 0.00 O ATOM 330 CB VAL A 24 10.226 10.030 -9.372 1.00 0.00 C ATOM 331 CG1 VAL A 24 10.835 9.105 -8.292 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.254 11.103 -9.826 1.00 0.00 C ATOM 0 H VAL A 24 8.784 11.007 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 24 10.504 8.662 -11.037 1.00 0.00 H new ATOM 0 HB VAL A 24 9.377 10.543 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.204 9.708 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.071 8.417 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.660 8.537 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.617 11.650 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.092 10.616 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.775 11.797 -10.517 1.00 0.00 H new ATOM 342 N ALA A 25 8.792 6.941 -10.428 1.00 0.00 N ATOM 343 CA ALA A 25 7.831 5.881 -10.102 1.00 0.00 C ATOM 344 C ALA A 25 8.129 5.287 -8.714 1.00 0.00 C ATOM 345 O ALA A 25 9.098 4.533 -8.547 1.00 0.00 O ATOM 346 CB ALA A 25 7.843 4.791 -11.188 1.00 0.00 C ATOM 0 H ALA A 25 9.631 6.603 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 25 6.832 6.315 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.125 4.013 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.573 5.231 -12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.840 4.356 -11.256 1.00 0.00 H new ATOM 352 N SER A 26 7.304 5.703 -7.734 1.00 0.00 N ATOM 353 CA SER A 26 7.260 5.176 -6.352 1.00 0.00 C ATOM 354 C SER A 26 8.647 5.186 -5.674 1.00 0.00 C ATOM 355 O SER A 26 9.154 4.141 -5.248 1.00 0.00 O ATOM 356 CB SER A 26 6.569 3.774 -6.295 1.00 0.00 C ATOM 357 OG SER A 26 7.177 2.806 -7.144 1.00 0.00 O ATOM 0 H SER A 26 6.621 6.445 -7.887 1.00 0.00 H new ATOM 0 HA SER A 26 6.640 5.856 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.590 3.409 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.521 3.883 -6.574 1.00 0.00 H new ATOM 0 HG SER A 26 8.096 3.079 -7.346 1.00 0.00 H new ATOM 363 N GLY A 27 9.250 6.391 -5.603 1.00 0.00 N ATOM 364 CA GLY A 27 10.597 6.577 -5.056 1.00 0.00 C ATOM 365 C GLY A 27 11.657 6.004 -5.984 1.00 0.00 C ATOM 366 O GLY A 27 12.240 6.724 -6.790 1.00 0.00 O ATOM 0 H GLY A 27 8.813 7.255 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.784 7.639 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.665 6.094 -4.081 1.00 0.00 H new ATOM 370 N ARG A 28 11.874 4.689 -5.877 1.00 0.00 N ATOM 371 CA ARG A 28 12.757 3.925 -6.774 1.00 0.00 C ATOM 372 C ARG A 28 12.378 2.433 -6.662 1.00 0.00 C ATOM 373 O ARG A 28 13.223 1.533 -6.623 1.00 0.00 O ATOM 374 CB ARG A 28 14.248 4.209 -6.427 1.00 0.00 C ATOM 375 CG ARG A 28 15.284 3.639 -7.430 1.00 0.00 C ATOM 376 CD ARG A 28 16.713 4.146 -7.162 1.00 0.00 C ATOM 377 NE ARG A 28 17.139 3.915 -5.763 1.00 0.00 N ATOM 378 CZ ARG A 28 17.799 4.794 -4.986 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.205 5.970 -5.460 1.00 0.00 N ATOM 380 NH2 ARG A 28 18.056 4.481 -3.727 1.00 0.00 N ATOM 0 H ARG A 28 11.437 4.115 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 28 12.628 4.230 -7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.389 5.288 -6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.459 3.797 -5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.273 2.550 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.990 3.912 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.406 3.645 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.765 5.212 -7.384 1.00 0.00 H new ATOM 0 HE ARG A 28 16.912 3.010 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.017 6.221 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.704 6.620 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.755 3.581 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.555 5.140 -3.129 1.00 0.00 H new ATOM 394 N THR A 29 11.064 2.195 -6.622 1.00 0.00 N ATOM 395 CA THR A 29 10.469 0.854 -6.562 1.00 0.00 C ATOM 396 C THR A 29 9.749 0.565 -7.893 1.00 0.00 C ATOM 397 O THR A 29 9.355 1.493 -8.615 1.00 0.00 O ATOM 398 CB THR A 29 9.470 0.748 -5.354 1.00 0.00 C ATOM 399 OG1 THR A 29 10.136 1.148 -4.148 1.00 0.00 O ATOM 400 CG2 THR A 29 8.916 -0.676 -5.156 1.00 0.00 C ATOM 0 H THR A 29 10.370 2.942 -6.631 1.00 0.00 H new ATOM 0 HA THR A 29 11.254 0.114 -6.409 1.00 0.00 H new ATOM 0 HB THR A 29 8.630 1.404 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.513 1.084 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.232 -0.686 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.383 -0.987 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.740 -1.364 -4.966 1.00 0.00 H new ATOM 408 N PHE A 30 9.591 -0.724 -8.214 1.00 0.00 N ATOM 409 CA PHE A 30 8.868 -1.180 -9.403 1.00 0.00 C ATOM 410 C PHE A 30 7.519 -1.777 -8.949 1.00 0.00 C ATOM 411 O PHE A 30 7.474 -2.730 -8.168 1.00 0.00 O ATOM 412 CB PHE A 30 9.732 -2.221 -10.195 1.00 0.00 C ATOM 413 CG PHE A 30 10.090 -3.501 -9.426 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.468 -4.715 -9.724 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.020 -3.484 -8.387 1.00 0.00 C ATOM 416 CE1 PHE A 30 9.761 -5.860 -9.015 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.315 -4.632 -7.679 1.00 0.00 C ATOM 418 CZ PHE A 30 10.684 -5.819 -7.991 1.00 0.00 C ATOM 0 H PHE A 30 9.966 -1.486 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 30 8.676 -0.347 -10.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.194 -2.500 -11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.656 -1.736 -10.510 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.744 -4.758 -10.524 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.517 -2.559 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.268 -6.789 -9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.041 -4.601 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.913 -6.715 -7.434 1.00 0.00 H new ATOM 428 N ARG A 31 6.431 -1.167 -9.422 1.00 0.00 N ATOM 429 CA ARG A 31 5.043 -1.617 -9.198 1.00 0.00 C ATOM 430 C ARG A 31 4.204 -1.159 -10.396 1.00 0.00 C ATOM 431 O ARG A 31 4.692 -0.368 -11.222 1.00 0.00 O ATOM 432 CB ARG A 31 4.438 -1.036 -7.879 1.00 0.00 C ATOM 433 CG ARG A 31 4.877 -1.730 -6.568 1.00 0.00 C ATOM 434 CD ARG A 31 4.241 -1.081 -5.322 1.00 0.00 C ATOM 435 NE ARG A 31 4.517 -1.835 -4.081 1.00 0.00 N ATOM 436 CZ ARG A 31 4.320 -1.383 -2.835 1.00 0.00 C ATOM 437 NH1 ARG A 31 3.953 -0.133 -2.607 1.00 0.00 N ATOM 438 NH2 ARG A 31 4.521 -2.191 -1.814 1.00 0.00 N ATOM 0 H ARG A 31 6.485 -0.321 -9.989 1.00 0.00 H new ATOM 0 HA ARG A 31 5.037 -2.702 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.704 0.019 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.351 -1.087 -7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.601 -2.784 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.963 -1.688 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.618 -0.064 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.163 -1.008 -5.466 1.00 0.00 H new ATOM 0 HE ARG A 31 4.889 -2.779 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.814 0.508 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.809 0.190 -1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.824 -3.151 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.374 -1.856 -0.862 1.00 0.00 H new ATOM 452 N SER A 32 2.943 -1.639 -10.449 1.00 0.00 N ATOM 453 CA SER A 32 1.961 -1.318 -11.508 1.00 0.00 C ATOM 454 C SER A 32 2.420 -1.882 -12.874 1.00 0.00 C ATOM 455 O SER A 32 3.437 -1.443 -13.426 1.00 0.00 O ATOM 456 CB SER A 32 1.678 0.208 -11.574 1.00 0.00 C ATOM 457 OG SER A 32 0.666 0.517 -12.512 1.00 0.00 O ATOM 0 H SER A 32 2.571 -2.274 -9.742 1.00 0.00 H new ATOM 0 HA SER A 32 1.019 -1.804 -11.254 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.380 0.565 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.594 0.736 -11.841 1.00 0.00 H new ATOM 0 HG SER A 32 1.072 0.685 -13.388 1.00 0.00 H new ATOM 463 N ASN A 33 1.650 -2.851 -13.410 1.00 0.00 N ATOM 464 CA ASN A 33 1.979 -3.569 -14.665 1.00 0.00 C ATOM 465 C ASN A 33 2.203 -2.626 -15.860 1.00 0.00 C ATOM 466 O ASN A 33 2.986 -2.936 -16.756 1.00 0.00 O ATOM 467 CB ASN A 33 0.868 -4.581 -15.018 1.00 0.00 C ATOM 468 CG ASN A 33 -0.514 -3.931 -15.147 1.00 0.00 C ATOM 469 OD1 ASN A 33 -1.291 -3.926 -14.204 1.00 0.00 O ATOM 470 ND2 ASN A 33 -0.812 -3.338 -16.298 1.00 0.00 N ATOM 0 H ASN A 33 0.777 -3.161 -12.984 1.00 0.00 H new ATOM 0 HA ASN A 33 2.918 -4.090 -14.477 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.120 -5.076 -15.956 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.830 -5.353 -14.250 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.708 -2.863 -16.410 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.145 -3.357 -17.069 1.00 0.00 H new ATOM 477 N ALA A 34 1.488 -1.494 -15.879 1.00 0.00 N ATOM 478 CA ALA A 34 1.593 -0.508 -16.962 1.00 0.00 C ATOM 479 C ALA A 34 1.581 0.920 -16.408 1.00 0.00 C ATOM 480 O ALA A 34 1.039 1.179 -15.333 1.00 0.00 O ATOM 481 CB ALA A 34 0.461 -0.711 -17.983 1.00 0.00 C ATOM 0 H ALA A 34 0.824 -1.237 -15.149 1.00 0.00 H new ATOM 0 HA ALA A 34 2.545 -0.658 -17.470 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.553 0.027 -18.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.529 -1.713 -18.407 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.502 -0.592 -17.487 1.00 0.00 H new ATOM 487 N MET A 35 2.233 1.826 -17.147 1.00 0.00 N ATOM 488 CA MET A 35 2.257 3.276 -16.889 1.00 0.00 C ATOM 489 C MET A 35 2.180 3.998 -18.243 1.00 0.00 C ATOM 490 O MET A 35 2.685 3.482 -19.237 1.00 0.00 O ATOM 491 CB MET A 35 3.544 3.687 -16.101 1.00 0.00 C ATOM 492 CG MET A 35 3.598 3.163 -14.654 1.00 0.00 C ATOM 493 SD MET A 35 5.143 3.555 -13.804 1.00 0.00 S ATOM 494 CE MET A 35 4.865 2.762 -12.219 1.00 0.00 C ATOM 0 H MET A 35 2.777 1.564 -17.969 1.00 0.00 H new ATOM 0 HA MET A 35 1.407 3.559 -16.268 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.418 3.321 -16.640 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.613 4.775 -16.084 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.766 3.586 -14.091 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.461 2.082 -14.662 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.232 3.406 -11.420 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.798 2.587 -12.082 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.396 1.810 -12.190 1.00 0.00 H new ATOM 504 N GLY A 36 1.552 5.176 -18.289 1.00 0.00 N ATOM 505 CA GLY A 36 1.341 5.879 -19.559 1.00 0.00 C ATOM 506 C GLY A 36 1.295 7.381 -19.398 1.00 0.00 C ATOM 507 O GLY A 36 0.884 7.878 -18.350 1.00 0.00 O ATOM 0 H GLY A 36 1.184 5.660 -17.470 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.141 5.617 -20.251 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.408 5.538 -20.007 1.00 0.00 H new ATOM 511 N TRP A 37 1.717 8.109 -20.444 1.00 0.00 N ATOM 512 CA TRP A 37 1.700 9.584 -20.448 1.00 0.00 C ATOM 513 C TRP A 37 0.372 10.088 -21.028 1.00 0.00 C ATOM 514 O TRP A 37 -0.240 9.431 -21.879 1.00 0.00 O ATOM 515 CB TRP A 37 2.894 10.171 -21.251 1.00 0.00 C ATOM 516 CG TRP A 37 4.249 9.960 -20.604 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.143 8.952 -20.846 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.855 10.796 -19.602 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.266 9.122 -20.082 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.110 10.241 -19.302 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.456 11.967 -18.936 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.971 10.810 -18.368 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.313 12.531 -18.007 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.560 11.951 -17.731 1.00 0.00 C ATOM 0 H TRP A 37 2.077 7.698 -21.305 1.00 0.00 H new ATOM 0 HA TRP A 37 1.799 9.923 -19.417 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.905 9.721 -22.243 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.733 11.240 -21.388 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.985 8.140 -21.540 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.086 8.515 -20.091 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.498 12.419 -19.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.932 10.366 -18.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.017 13.430 -17.487 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.209 12.413 -17.002 1.00 0.00 H new ATOM 535 N PHE A 38 -0.052 11.257 -20.538 1.00 0.00 N ATOM 536 CA PHE A 38 -1.272 11.961 -20.960 1.00 0.00 C ATOM 537 C PHE A 38 -0.953 13.456 -21.100 1.00 0.00 C ATOM 538 O PHE A 38 -0.046 13.968 -20.434 1.00 0.00 O ATOM 539 CB PHE A 38 -2.439 11.755 -19.937 1.00 0.00 C ATOM 540 CG PHE A 38 -3.050 10.355 -19.913 1.00 0.00 C ATOM 541 CD1 PHE A 38 -4.199 10.068 -20.650 1.00 0.00 C ATOM 542 CD2 PHE A 38 -2.486 9.332 -19.153 1.00 0.00 C ATOM 543 CE1 PHE A 38 -4.759 8.807 -20.630 1.00 0.00 C ATOM 544 CE2 PHE A 38 -3.047 8.071 -19.136 1.00 0.00 C ATOM 545 CZ PHE A 38 -4.182 7.809 -19.874 1.00 0.00 C ATOM 0 H PHE A 38 0.460 11.758 -19.812 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.601 11.552 -21.915 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.070 11.989 -18.939 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.227 12.473 -20.162 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.657 10.844 -21.245 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.598 9.528 -18.570 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.649 8.602 -21.206 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.596 7.288 -18.544 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.619 6.822 -19.860 1.00 0.00 H new ATOM 555 N ARG A 39 -1.693 14.143 -21.980 1.00 0.00 N ATOM 556 CA ARG A 39 -1.594 15.604 -22.161 1.00 0.00 C ATOM 557 C ARG A 39 -2.979 16.226 -21.990 1.00 0.00 C ATOM 558 O ARG A 39 -3.965 15.708 -22.516 1.00 0.00 O ATOM 559 CB ARG A 39 -0.953 15.953 -23.544 1.00 0.00 C ATOM 560 CG ARG A 39 -1.729 15.530 -24.832 1.00 0.00 C ATOM 561 CD ARG A 39 -2.682 16.617 -25.372 1.00 0.00 C ATOM 562 NE ARG A 39 -3.331 16.204 -26.627 1.00 0.00 N ATOM 563 CZ ARG A 39 -4.300 16.879 -27.263 1.00 0.00 C ATOM 564 NH1 ARG A 39 -4.825 17.986 -26.750 1.00 0.00 N ATOM 565 NH2 ARG A 39 -4.766 16.417 -28.411 1.00 0.00 N ATOM 0 H ARG A 39 -2.381 13.703 -22.591 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.935 16.025 -21.401 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.804 17.032 -23.582 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.035 15.493 -23.581 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.010 15.272 -25.609 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.305 14.629 -24.618 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.444 16.836 -24.624 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.124 17.539 -25.538 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.017 15.330 -27.049 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.492 18.340 -25.853 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.561 18.482 -27.253 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.389 15.555 -28.805 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.503 16.923 -28.903 1.00 0.00 H new ATOM 579 N GLN A 40 -3.045 17.326 -21.247 1.00 0.00 N ATOM 580 CA GLN A 40 -4.306 18.004 -20.920 1.00 0.00 C ATOM 581 C GLN A 40 -4.061 19.510 -20.807 1.00 0.00 C ATOM 582 O GLN A 40 -3.129 19.928 -20.142 1.00 0.00 O ATOM 583 CB GLN A 40 -4.857 17.447 -19.572 1.00 0.00 C ATOM 584 CG GLN A 40 -6.153 18.114 -19.075 1.00 0.00 C ATOM 585 CD GLN A 40 -6.663 17.530 -17.761 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.304 17.988 -16.675 1.00 0.00 O ATOM 587 NE2 GLN A 40 -7.495 16.508 -17.857 1.00 0.00 N ATOM 0 H GLN A 40 -2.222 17.779 -20.849 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.038 17.822 -21.707 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.036 16.378 -19.684 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.089 17.563 -18.807 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.978 19.182 -18.947 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.925 18.006 -19.837 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.769 16.158 -18.775 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.864 16.070 -17.013 1.00 0.00 H new ATOM 596 N ALA A 41 -4.891 20.316 -21.472 1.00 0.00 N ATOM 597 CA ALA A 41 -4.906 21.780 -21.288 1.00 0.00 C ATOM 598 C ALA A 41 -5.884 22.134 -20.143 1.00 0.00 C ATOM 599 O ALA A 41 -6.793 21.337 -19.868 1.00 0.00 O ATOM 600 CB ALA A 41 -5.289 22.468 -22.608 1.00 0.00 C ATOM 0 H ALA A 41 -5.572 19.980 -22.153 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.915 22.139 -21.011 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.298 23.549 -22.466 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.561 22.210 -23.377 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.279 22.134 -22.918 1.00 0.00 H new ATOM 606 N PRO A 42 -5.697 23.300 -19.430 1.00 0.00 N ATOM 607 CA PRO A 42 -6.614 23.729 -18.334 1.00 0.00 C ATOM 608 C PRO A 42 -8.100 23.777 -18.775 1.00 0.00 C ATOM 609 O PRO A 42 -8.498 24.666 -19.535 1.00 0.00 O ATOM 610 CB PRO A 42 -6.071 25.134 -17.941 1.00 0.00 C ATOM 611 CG PRO A 42 -4.624 25.093 -18.333 1.00 0.00 C ATOM 612 CD PRO A 42 -4.565 24.262 -19.595 1.00 0.00 C ATOM 0 HA PRO A 42 -6.620 23.027 -17.501 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.603 25.927 -18.466 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.189 25.322 -16.874 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.237 26.097 -18.507 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.017 24.650 -17.544 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.687 24.877 -20.487 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.610 23.746 -19.692 1.00 0.00 H new ATOM 620 N GLY A 43 -8.893 22.777 -18.321 1.00 0.00 N ATOM 621 CA GLY A 43 -10.318 22.674 -18.663 1.00 0.00 C ATOM 622 C GLY A 43 -10.583 21.871 -19.937 1.00 0.00 C ATOM 623 O GLY A 43 -11.617 22.060 -20.592 1.00 0.00 O ATOM 0 H GLY A 43 -8.559 22.029 -17.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.850 22.209 -17.833 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.728 23.677 -18.783 1.00 0.00 H new ATOM 627 N LYS A 44 -9.642 20.972 -20.293 1.00 0.00 N ATOM 628 CA LYS A 44 -9.727 20.118 -21.504 1.00 0.00 C ATOM 629 C LYS A 44 -9.556 18.629 -21.139 1.00 0.00 C ATOM 630 O LYS A 44 -9.293 18.285 -19.979 1.00 0.00 O ATOM 631 CB LYS A 44 -8.667 20.562 -22.559 1.00 0.00 C ATOM 632 CG LYS A 44 -8.944 21.928 -23.266 1.00 0.00 C ATOM 633 CD LYS A 44 -9.803 21.819 -24.563 1.00 0.00 C ATOM 634 CE LYS A 44 -11.250 21.327 -24.345 1.00 0.00 C ATOM 635 NZ LYS A 44 -11.996 21.227 -25.615 1.00 0.00 N ATOM 0 H LYS A 44 -8.795 20.815 -19.747 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.717 20.241 -21.943 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.695 20.618 -22.069 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.595 19.787 -23.322 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.450 22.591 -22.564 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.991 22.395 -23.514 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.836 22.797 -25.043 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.305 21.141 -25.256 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.232 20.352 -23.857 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.768 22.011 -23.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.962 20.893 -25.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.036 22.162 -26.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.516 20.555 -26.247 1.00 0.00 H new ATOM 649 N GLU A 45 -9.730 17.751 -22.145 1.00 0.00 N ATOM 650 CA GLU A 45 -9.652 16.284 -21.978 1.00 0.00 C ATOM 651 C GLU A 45 -8.181 15.820 -22.022 1.00 0.00 C ATOM 652 O GLU A 45 -7.372 16.394 -22.767 1.00 0.00 O ATOM 653 CB GLU A 45 -10.476 15.591 -23.100 1.00 0.00 C ATOM 654 CG GLU A 45 -11.928 16.091 -23.220 1.00 0.00 C ATOM 655 CD GLU A 45 -12.747 15.345 -24.290 1.00 0.00 C ATOM 656 OE1 GLU A 45 -12.600 15.659 -25.491 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.540 14.443 -23.938 1.00 0.00 O ATOM 0 H GLU A 45 -9.930 18.039 -23.103 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.068 16.008 -21.009 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.971 15.745 -24.054 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.488 14.517 -22.915 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.422 15.983 -22.255 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.919 17.155 -23.456 1.00 0.00 H new ATOM 664 N ARG A 46 -7.840 14.789 -21.214 1.00 0.00 N ATOM 665 CA ARG A 46 -6.481 14.200 -21.204 1.00 0.00 C ATOM 666 C ARG A 46 -6.368 13.110 -22.298 1.00 0.00 C ATOM 667 O ARG A 46 -7.084 12.101 -22.270 1.00 0.00 O ATOM 668 CB ARG A 46 -6.049 13.662 -19.787 1.00 0.00 C ATOM 669 CG ARG A 46 -6.731 12.376 -19.238 1.00 0.00 C ATOM 670 CD ARG A 46 -8.209 12.558 -18.866 1.00 0.00 C ATOM 671 NE ARG A 46 -8.801 11.311 -18.342 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.537 11.201 -17.219 1.00 0.00 C ATOM 673 NH1 ARG A 46 -9.807 12.265 -16.463 1.00 0.00 N ATOM 674 NH2 ARG A 46 -9.998 10.008 -16.856 1.00 0.00 N ATOM 0 H ARG A 46 -8.488 14.348 -20.561 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.777 15.000 -21.433 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.975 13.480 -19.816 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.218 14.460 -19.064 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.651 11.588 -19.987 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.185 12.036 -18.358 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.301 13.346 -18.119 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.767 12.884 -19.744 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.638 10.458 -18.877 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.454 13.184 -16.731 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.366 12.160 -15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.793 9.187 -17.426 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.556 9.914 -16.008 1.00 0.00 H new ATOM 688 N GLU A 47 -5.488 13.348 -23.286 1.00 0.00 N ATOM 689 CA GLU A 47 -5.273 12.437 -24.426 1.00 0.00 C ATOM 690 C GLU A 47 -4.136 11.462 -24.107 1.00 0.00 C ATOM 691 O GLU A 47 -3.143 11.849 -23.493 1.00 0.00 O ATOM 692 CB GLU A 47 -4.919 13.244 -25.706 1.00 0.00 C ATOM 693 CG GLU A 47 -4.596 12.381 -26.951 1.00 0.00 C ATOM 694 CD GLU A 47 -4.155 13.206 -28.170 1.00 0.00 C ATOM 695 OE1 GLU A 47 -4.980 13.439 -29.076 1.00 0.00 O ATOM 696 OE2 GLU A 47 -2.989 13.652 -28.214 1.00 0.00 O ATOM 0 H GLU A 47 -4.902 14.182 -23.317 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.193 11.879 -24.602 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.754 13.903 -25.945 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.061 13.881 -25.491 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.808 11.672 -26.697 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.477 11.797 -27.217 1.00 0.00 H new ATOM 703 N PHE A 48 -4.296 10.210 -24.555 1.00 0.00 N ATOM 704 CA PHE A 48 -3.316 9.143 -24.351 1.00 0.00 C ATOM 705 C PHE A 48 -2.097 9.377 -25.275 1.00 0.00 C ATOM 706 O PHE A 48 -2.189 9.224 -26.499 1.00 0.00 O ATOM 707 CB PHE A 48 -4.008 7.781 -24.638 1.00 0.00 C ATOM 708 CG PHE A 48 -3.222 6.545 -24.204 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.445 5.820 -25.108 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.274 6.099 -22.881 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.752 4.699 -24.702 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.577 4.978 -22.478 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.818 4.280 -23.386 1.00 0.00 C ATOM 0 H PHE A 48 -5.120 9.909 -25.075 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.951 9.138 -23.324 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.975 7.771 -24.136 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.203 7.710 -25.708 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.386 6.140 -26.138 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.870 6.641 -22.161 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.156 4.147 -25.414 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.628 4.650 -21.450 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.272 3.403 -23.071 1.00 0.00 H new ATOM 723 N VAL A 49 -0.970 9.783 -24.667 1.00 0.00 N ATOM 724 CA VAL A 49 0.286 10.079 -25.383 1.00 0.00 C ATOM 725 C VAL A 49 1.116 8.800 -25.556 1.00 0.00 C ATOM 726 O VAL A 49 1.492 8.443 -26.678 1.00 0.00 O ATOM 727 CB VAL A 49 1.140 11.165 -24.616 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.524 11.428 -25.283 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.344 12.479 -24.460 1.00 0.00 C ATOM 0 H VAL A 49 -0.903 9.917 -23.658 1.00 0.00 H new ATOM 0 HA VAL A 49 0.023 10.475 -26.364 1.00 0.00 H new ATOM 0 HB VAL A 49 1.345 10.760 -23.625 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.065 12.183 -24.712 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.101 10.503 -25.301 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.375 11.782 -26.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.952 13.212 -23.929 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.086 12.867 -25.445 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.568 12.287 -23.895 1.00 0.00 H new ATOM 739 N ALA A 50 1.382 8.108 -24.431 1.00 0.00 N ATOM 740 CA ALA A 50 2.337 6.987 -24.393 1.00 0.00 C ATOM 741 C ALA A 50 1.819 5.805 -23.567 1.00 0.00 C ATOM 742 O ALA A 50 0.956 5.974 -22.709 1.00 0.00 O ATOM 743 CB ALA A 50 3.689 7.466 -23.854 1.00 0.00 C ATOM 0 H ALA A 50 0.945 8.309 -23.532 1.00 0.00 H new ATOM 0 HA ALA A 50 2.460 6.630 -25.415 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.388 6.630 -23.830 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.082 8.249 -24.502 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.560 7.860 -22.846 1.00 0.00 H new ATOM 749 N ALA A 51 2.419 4.625 -23.823 1.00 0.00 N ATOM 750 CA ALA A 51 2.060 3.343 -23.203 1.00 0.00 C ATOM 751 C ALA A 51 3.341 2.561 -22.906 1.00 0.00 C ATOM 752 O ALA A 51 4.144 2.279 -23.806 1.00 0.00 O ATOM 753 CB ALA A 51 1.139 2.513 -24.118 1.00 0.00 C ATOM 0 H ALA A 51 3.189 4.540 -24.487 1.00 0.00 H new ATOM 0 HA ALA A 51 1.516 3.542 -22.280 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.893 1.571 -23.628 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.223 3.070 -24.314 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.649 2.310 -25.060 1.00 0.00 H new ATOM 759 N ILE A 52 3.522 2.246 -21.630 1.00 0.00 N ATOM 760 CA ILE A 52 4.643 1.471 -21.112 1.00 0.00 C ATOM 761 C ILE A 52 4.043 0.245 -20.409 1.00 0.00 C ATOM 762 O ILE A 52 3.310 0.411 -19.443 1.00 0.00 O ATOM 763 CB ILE A 52 5.528 2.315 -20.085 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.292 3.521 -20.765 1.00 0.00 C ATOM 765 CG2 ILE A 52 6.505 1.405 -19.312 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.452 4.750 -21.085 1.00 0.00 C ATOM 0 H ILE A 52 2.869 2.533 -20.901 1.00 0.00 H new ATOM 0 HA ILE A 52 5.306 1.185 -21.928 1.00 0.00 H new ATOM 0 HB ILE A 52 4.830 2.757 -19.374 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.108 3.824 -20.109 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.743 3.163 -21.690 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.094 2.008 -18.621 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.941 0.658 -18.753 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.171 0.905 -20.016 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.081 5.510 -21.548 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.651 4.475 -21.771 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.021 5.146 -20.165 1.00 0.00 H new ATOM 778 N ARG A 53 4.314 -0.973 -20.903 1.00 0.00 N ATOM 779 CA ARG A 53 3.858 -2.212 -20.235 1.00 0.00 C ATOM 780 C ARG A 53 5.054 -2.924 -19.569 1.00 0.00 C ATOM 781 O ARG A 53 5.774 -3.707 -20.206 1.00 0.00 O ATOM 782 CB ARG A 53 3.069 -3.125 -21.222 1.00 0.00 C ATOM 783 CG ARG A 53 3.811 -3.507 -22.524 1.00 0.00 C ATOM 784 CD ARG A 53 2.926 -4.285 -23.511 1.00 0.00 C ATOM 785 NE ARG A 53 1.757 -3.483 -23.938 1.00 0.00 N ATOM 786 CZ ARG A 53 0.469 -3.862 -23.876 1.00 0.00 C ATOM 787 NH1 ARG A 53 0.116 -5.046 -23.377 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.467 -3.031 -24.306 1.00 0.00 N ATOM 0 H ARG A 53 4.845 -1.131 -21.760 1.00 0.00 H new ATOM 0 HA ARG A 53 3.156 -1.957 -19.441 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.795 -4.042 -20.700 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.140 -2.621 -21.490 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.176 -2.601 -23.008 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.685 -4.109 -22.275 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.514 -4.567 -24.384 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.584 -5.209 -23.045 1.00 0.00 H new ATOM 0 HE ARG A 53 1.947 -2.555 -24.315 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.830 -5.687 -23.031 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.868 -5.311 -23.341 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.206 -2.118 -24.678 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.449 -3.304 -24.266 1.00 0.00 H new ATOM 851 N SER A 58 7.640 -0.598 -23.940 1.00 0.00 N ATOM 852 CA SER A 58 7.572 0.784 -23.452 1.00 0.00 C ATOM 853 C SER A 58 7.712 1.765 -24.628 1.00 0.00 C ATOM 854 O SER A 58 8.642 2.581 -24.660 1.00 0.00 O ATOM 855 CB SER A 58 8.680 0.978 -22.394 1.00 0.00 C ATOM 856 OG SER A 58 8.613 -0.033 -21.391 1.00 0.00 O ATOM 0 HA SER A 58 6.607 0.985 -22.987 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.657 0.952 -22.877 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.579 1.960 -21.932 1.00 0.00 H new ATOM 0 HG SER A 58 8.189 -0.835 -21.762 1.00 0.00 H new ATOM 862 N THR A 59 6.768 1.689 -25.594 1.00 0.00 N ATOM 863 CA THR A 59 6.809 2.493 -26.823 1.00 0.00 C ATOM 864 C THR A 59 5.376 2.826 -27.245 1.00 0.00 C ATOM 865 O THR A 59 4.573 1.910 -27.471 1.00 0.00 O ATOM 866 CB THR A 59 7.539 1.726 -27.997 1.00 0.00 C ATOM 867 OG1 THR A 59 7.038 0.379 -28.093 1.00 0.00 O ATOM 868 CG2 THR A 59 9.072 1.690 -27.837 1.00 0.00 C ATOM 0 H THR A 59 5.961 1.068 -25.538 1.00 0.00 H new ATOM 0 HA THR A 59 7.371 3.404 -26.620 1.00 0.00 H new ATOM 0 HB THR A 59 7.323 2.280 -28.910 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.097 0.360 -27.820 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.513 1.150 -28.675 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.460 2.708 -27.818 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.329 1.186 -26.905 1.00 0.00 H new ATOM 876 N TYR A 60 5.069 4.128 -27.330 1.00 0.00 N ATOM 877 CA TYR A 60 3.809 4.631 -27.864 1.00 0.00 C ATOM 878 C TYR A 60 3.914 6.156 -27.998 1.00 0.00 C ATOM 879 O TYR A 60 4.371 6.832 -27.074 1.00 0.00 O ATOM 880 CB TYR A 60 2.617 4.245 -26.956 1.00 0.00 C ATOM 881 CG TYR A 60 1.250 4.246 -27.645 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.716 3.063 -28.159 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.500 5.417 -27.787 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.516 3.050 -28.795 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.731 5.409 -28.419 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.235 4.223 -28.924 1.00 0.00 C ATOM 887 OH TYR A 60 -2.465 4.212 -29.561 1.00 0.00 O ATOM 0 H TYR A 60 5.702 4.867 -27.024 1.00 0.00 H new ATOM 0 HA TYR A 60 3.626 4.181 -28.840 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.799 3.252 -26.546 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.583 4.936 -26.114 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.272 2.142 -28.060 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.889 6.346 -27.396 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.913 2.126 -29.188 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.296 6.324 -28.518 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.839 5.118 -29.566 1.00 0.00 H new ATOM 897 N TYR A 61 3.520 6.661 -29.162 1.00 0.00 N ATOM 898 CA TYR A 61 3.423 8.094 -29.467 1.00 0.00 C ATOM 899 C TYR A 61 2.456 8.238 -30.647 1.00 0.00 C ATOM 900 O TYR A 61 2.542 7.458 -31.603 1.00 0.00 O ATOM 901 CB TYR A 61 4.829 8.721 -29.777 1.00 0.00 C ATOM 902 CG TYR A 61 5.744 7.844 -30.667 1.00 0.00 C ATOM 903 CD1 TYR A 61 6.649 6.941 -30.096 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.680 7.887 -32.065 1.00 0.00 C ATOM 905 CE1 TYR A 61 7.440 6.123 -30.876 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.478 7.073 -32.847 1.00 0.00 C ATOM 907 CZ TYR A 61 7.351 6.194 -32.252 1.00 0.00 C ATOM 908 OH TYR A 61 8.130 5.369 -33.038 1.00 0.00 O ATOM 0 H TYR A 61 3.249 6.070 -29.948 1.00 0.00 H new ATOM 0 HA TYR A 61 3.047 8.643 -28.603 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.683 9.684 -30.267 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.341 8.917 -28.835 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.730 6.884 -29.021 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.993 8.570 -32.542 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.126 5.430 -30.412 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.416 7.128 -33.924 1.00 0.00 H new ATOM 0 HH TYR A 61 7.944 5.547 -33.984 1.00 0.00 H new ATOM 918 N ALA A 62 1.524 9.207 -30.565 1.00 0.00 N ATOM 919 CA ALA A 62 0.504 9.434 -31.615 1.00 0.00 C ATOM 920 C ALA A 62 1.164 9.789 -32.958 1.00 0.00 C ATOM 921 O ALA A 62 2.245 10.381 -32.979 1.00 0.00 O ATOM 922 CB ALA A 62 -0.474 10.536 -31.178 1.00 0.00 C ATOM 0 H ALA A 62 1.454 9.851 -29.777 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.056 8.509 -31.755 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.218 10.693 -31.959 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.973 10.235 -30.257 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.074 11.463 -31.008 1.00 0.00 H new ATOM 928 N ASP A 63 0.508 9.438 -34.078 1.00 0.00 N ATOM 929 CA ASP A 63 1.086 9.652 -35.421 1.00 0.00 C ATOM 930 C ASP A 63 1.227 11.166 -35.748 1.00 0.00 C ATOM 931 O ASP A 63 2.005 11.544 -36.627 1.00 0.00 O ATOM 932 CB ASP A 63 0.256 8.918 -36.497 1.00 0.00 C ATOM 933 CG ASP A 63 0.919 8.934 -37.891 1.00 0.00 C ATOM 934 OD1 ASP A 63 0.418 9.632 -38.805 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.967 8.272 -38.063 1.00 0.00 O ATOM 0 H ASP A 63 -0.417 9.008 -34.083 1.00 0.00 H new ATOM 0 HA ASP A 63 2.090 9.228 -35.423 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.103 7.885 -36.186 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.729 9.380 -36.565 1.00 0.00 H new ATOM 940 N SER A 64 0.490 12.017 -35.015 1.00 0.00 N ATOM 941 CA SER A 64 0.603 13.483 -35.117 1.00 0.00 C ATOM 942 C SER A 64 1.911 13.989 -34.471 1.00 0.00 C ATOM 943 O SER A 64 2.515 14.960 -34.939 1.00 0.00 O ATOM 944 CB SER A 64 -0.613 14.123 -34.428 1.00 0.00 C ATOM 945 OG SER A 64 -1.819 13.544 -34.905 1.00 0.00 O ATOM 0 H SER A 64 -0.203 11.708 -34.333 1.00 0.00 H new ATOM 0 HA SER A 64 0.626 13.765 -36.170 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.540 13.987 -33.349 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.620 15.197 -34.614 1.00 0.00 H new ATOM 0 HG SER A 64 -2.583 13.962 -34.455 1.00 0.00 H new ATOM 951 N VAL A 65 2.338 13.311 -33.392 1.00 0.00 N ATOM 952 CA VAL A 65 3.571 13.650 -32.639 1.00 0.00 C ATOM 953 C VAL A 65 4.692 12.611 -32.913 1.00 0.00 C ATOM 954 O VAL A 65 5.697 12.559 -32.192 1.00 0.00 O ATOM 955 CB VAL A 65 3.274 13.749 -31.090 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.219 14.841 -30.786 1.00 0.00 C ATOM 957 CG2 VAL A 65 2.842 12.385 -30.498 1.00 0.00 C ATOM 0 H VAL A 65 1.839 12.507 -33.011 1.00 0.00 H new ATOM 0 HA VAL A 65 3.917 14.624 -32.985 1.00 0.00 H new ATOM 0 HB VAL A 65 4.207 14.037 -30.605 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.038 14.883 -29.712 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.587 15.808 -31.130 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.289 14.602 -31.302 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.647 12.497 -29.431 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.936 12.042 -30.998 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.638 11.655 -30.647 1.00 0.00 H new ATOM 967 N LYS A 66 4.507 11.815 -33.990 1.00 0.00 N ATOM 968 CA LYS A 66 5.414 10.715 -34.380 1.00 0.00 C ATOM 969 C LYS A 66 6.784 11.263 -34.799 1.00 0.00 C ATOM 970 O LYS A 66 6.873 12.068 -35.734 1.00 0.00 O ATOM 971 CB LYS A 66 4.745 9.883 -35.528 1.00 0.00 C ATOM 972 CG LYS A 66 5.561 8.702 -36.150 1.00 0.00 C ATOM 973 CD LYS A 66 6.476 9.116 -37.339 1.00 0.00 C ATOM 974 CE LYS A 66 5.701 9.774 -38.501 1.00 0.00 C ATOM 975 NZ LYS A 66 4.652 8.877 -39.067 1.00 0.00 N ATOM 0 H LYS A 66 3.712 11.921 -34.621 1.00 0.00 H new ATOM 0 HA LYS A 66 5.583 10.058 -33.527 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.809 9.477 -35.144 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.487 10.571 -36.333 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.177 8.251 -35.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.866 7.935 -36.491 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.237 9.809 -36.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.998 8.235 -37.712 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.236 10.695 -38.148 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.401 10.052 -39.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.398 9.199 -40.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.016 7.904 -39.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.809 8.901 -38.458 1.00 0.00 H new ATOM 989 N GLY A 67 7.842 10.822 -34.101 1.00 0.00 N ATOM 990 CA GLY A 67 9.222 11.195 -34.418 1.00 0.00 C ATOM 991 C GLY A 67 9.741 12.356 -33.581 1.00 0.00 C ATOM 992 O GLY A 67 10.953 12.462 -33.364 1.00 0.00 O ATOM 0 H GLY A 67 7.760 10.196 -33.300 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.868 10.330 -34.267 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.286 11.460 -35.473 1.00 0.00 H new ATOM 996 N ARG A 68 8.834 13.243 -33.119 1.00 0.00 N ATOM 997 CA ARG A 68 9.207 14.397 -32.277 1.00 0.00 C ATOM 998 C ARG A 68 9.039 14.037 -30.782 1.00 0.00 C ATOM 999 O ARG A 68 9.718 14.602 -29.924 1.00 0.00 O ATOM 1000 CB ARG A 68 8.388 15.665 -32.674 1.00 0.00 C ATOM 1001 CG ARG A 68 6.970 15.784 -32.069 1.00 0.00 C ATOM 1002 CD ARG A 68 6.231 17.084 -32.481 1.00 0.00 C ATOM 1003 NE ARG A 68 5.286 17.545 -31.439 1.00 0.00 N ATOM 1004 CZ ARG A 68 4.033 17.971 -31.646 1.00 0.00 C ATOM 1005 NH1 ARG A 68 3.477 17.908 -32.856 1.00 0.00 N ATOM 1006 NH2 ARG A 68 3.325 18.436 -30.625 1.00 0.00 N ATOM 0 H ARG A 68 7.835 13.180 -33.317 1.00 0.00 H new ATOM 0 HA ARG A 68 10.257 14.636 -32.445 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.959 16.546 -32.382 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.299 15.688 -33.760 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.377 14.924 -32.380 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.042 15.745 -30.982 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.962 17.868 -32.679 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.688 16.912 -33.411 1.00 0.00 H new ATOM 0 HE ARG A 68 5.620 17.538 -30.475 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.007 17.531 -33.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.522 18.237 -32.996 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.736 18.467 -29.692 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.370 18.763 -30.773 1.00 0.00 H new ATOM 1020 N PHE A 69 8.107 13.103 -30.475 1.00 0.00 N ATOM 1021 CA PHE A 69 7.931 12.546 -29.117 1.00 0.00 C ATOM 1022 C PHE A 69 8.624 11.181 -29.036 1.00 0.00 C ATOM 1023 O PHE A 69 8.450 10.330 -29.915 1.00 0.00 O ATOM 1024 CB PHE A 69 6.423 12.399 -28.746 1.00 0.00 C ATOM 1025 CG PHE A 69 5.709 13.680 -28.289 1.00 0.00 C ATOM 1026 CD1 PHE A 69 6.047 14.929 -28.794 1.00 0.00 C ATOM 1027 CD2 PHE A 69 4.664 13.617 -27.360 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.380 16.068 -28.393 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.001 14.757 -26.957 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.358 15.984 -27.474 1.00 0.00 C ATOM 0 H PHE A 69 7.459 12.717 -31.162 1.00 0.00 H new ATOM 0 HA PHE A 69 8.380 13.237 -28.404 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.894 12.003 -29.613 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.336 11.657 -27.953 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.847 15.010 -29.515 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.372 12.660 -26.952 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.660 17.028 -28.801 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.201 14.688 -26.235 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.838 16.877 -27.159 1.00 0.00 H new ATOM 1040 N THR A 70 9.398 10.995 -27.970 1.00 0.00 N ATOM 1041 CA THR A 70 10.122 9.759 -27.666 1.00 0.00 C ATOM 1042 C THR A 70 9.983 9.482 -26.166 1.00 0.00 C ATOM 1043 O THR A 70 9.931 10.417 -25.368 1.00 0.00 O ATOM 1044 CB THR A 70 11.631 9.891 -28.076 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.706 10.192 -29.475 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.448 8.617 -27.792 1.00 0.00 C ATOM 0 H THR A 70 9.545 11.722 -27.270 1.00 0.00 H new ATOM 0 HA THR A 70 9.703 8.928 -28.234 1.00 0.00 H new ATOM 0 HB THR A 70 12.062 10.689 -27.472 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.645 10.278 -29.741 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.483 8.773 -28.098 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.414 8.393 -26.726 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.026 7.782 -28.351 1.00 0.00 H new ATOM 1054 N ILE A 71 9.902 8.202 -25.790 1.00 0.00 N ATOM 1055 CA ILE A 71 9.725 7.773 -24.390 1.00 0.00 C ATOM 1056 C ILE A 71 10.782 6.735 -24.028 1.00 0.00 C ATOM 1057 O ILE A 71 11.365 6.091 -24.911 1.00 0.00 O ATOM 1058 CB ILE A 71 8.285 7.194 -24.070 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.908 5.949 -24.944 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.214 8.290 -24.181 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.647 6.213 -26.419 1.00 0.00 C ATOM 0 H ILE A 71 9.957 7.426 -26.449 1.00 0.00 H new ATOM 0 HA ILE A 71 9.839 8.671 -23.783 1.00 0.00 H new ATOM 0 HB ILE A 71 8.321 6.842 -23.039 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.714 5.219 -24.865 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.017 5.488 -24.516 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.235 7.866 -23.957 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.435 9.088 -23.472 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.211 8.694 -25.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.396 5.277 -26.917 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.818 6.913 -26.522 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.540 6.639 -26.876 1.00 0.00 H new ATOM 1073 N SER A 72 11.011 6.590 -22.722 1.00 0.00 N ATOM 1074 CA SER A 72 11.972 5.644 -22.164 1.00 0.00 C ATOM 1075 C SER A 72 11.574 5.333 -20.722 1.00 0.00 C ATOM 1076 O SER A 72 11.142 6.225 -20.003 1.00 0.00 O ATOM 1077 CB SER A 72 13.398 6.253 -22.200 1.00 0.00 C ATOM 1078 OG SER A 72 14.378 5.348 -21.714 1.00 0.00 O ATOM 0 H SER A 72 10.524 7.137 -22.012 1.00 0.00 H new ATOM 0 HA SER A 72 11.972 4.727 -22.753 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.644 6.538 -23.223 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.418 7.164 -21.602 1.00 0.00 H new ATOM 0 HG SER A 72 14.600 5.574 -20.787 1.00 0.00 H new ATOM 1084 N ARG A 73 11.691 4.068 -20.315 1.00 0.00 N ATOM 1085 CA ARG A 73 11.570 3.679 -18.906 1.00 0.00 C ATOM 1086 C ARG A 73 12.923 3.135 -18.455 1.00 0.00 C ATOM 1087 O ARG A 73 13.407 2.137 -19.003 1.00 0.00 O ATOM 1088 CB ARG A 73 10.470 2.611 -18.703 1.00 0.00 C ATOM 1089 CG ARG A 73 10.271 2.185 -17.222 1.00 0.00 C ATOM 1090 CD ARG A 73 9.279 1.028 -17.076 1.00 0.00 C ATOM 1091 NE ARG A 73 9.037 0.641 -15.669 1.00 0.00 N ATOM 1092 CZ ARG A 73 7.971 1.013 -14.930 1.00 0.00 C ATOM 1093 NH1 ARG A 73 7.082 1.884 -15.406 1.00 0.00 N ATOM 1094 NH2 ARG A 73 7.820 0.529 -13.699 1.00 0.00 N ATOM 0 H ARG A 73 11.871 3.288 -20.947 1.00 0.00 H new ATOM 0 HA ARG A 73 11.284 4.548 -18.313 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.527 2.997 -19.089 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.720 1.730 -19.294 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.232 1.892 -16.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.916 3.039 -16.646 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.332 1.310 -17.536 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.655 0.164 -17.624 1.00 0.00 H new ATOM 0 HE ARG A 73 9.732 0.044 -15.221 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.203 2.278 -16.339 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.280 2.157 -14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.509 -0.120 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.016 0.807 -13.137 1.00 0.00 H new ATOM 1108 N ASP A 74 13.503 3.775 -17.439 1.00 0.00 N ATOM 1109 CA ASP A 74 14.823 3.433 -16.904 1.00 0.00 C ATOM 1110 C ASP A 74 14.655 2.701 -15.579 1.00 0.00 C ATOM 1111 O ASP A 74 14.285 3.315 -14.580 1.00 0.00 O ATOM 1112 CB ASP A 74 15.675 4.719 -16.721 1.00 0.00 C ATOM 1113 CG ASP A 74 16.088 5.359 -18.057 1.00 0.00 C ATOM 1114 OD1 ASP A 74 15.205 5.816 -18.805 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.300 5.412 -18.363 1.00 0.00 O ATOM 0 H ASP A 74 13.062 4.558 -16.956 1.00 0.00 H new ATOM 0 HA ASP A 74 15.344 2.780 -17.604 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.108 5.444 -16.137 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.570 4.477 -16.148 1.00 0.00 H new ATOM 1120 N ASN A 75 14.922 1.388 -15.605 1.00 0.00 N ATOM 1121 CA ASN A 75 14.830 0.495 -14.427 1.00 0.00 C ATOM 1122 C ASN A 75 15.806 0.931 -13.317 1.00 0.00 C ATOM 1123 O ASN A 75 15.486 0.818 -12.126 1.00 0.00 O ATOM 1124 CB ASN A 75 15.124 -0.973 -14.861 1.00 0.00 C ATOM 1125 CG ASN A 75 15.102 -1.975 -13.700 1.00 0.00 C ATOM 1126 OD1 ASN A 75 16.130 -2.261 -13.075 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.927 -2.511 -13.409 1.00 0.00 N ATOM 0 H ASN A 75 15.213 0.903 -16.454 1.00 0.00 H new ATOM 0 HA ASN A 75 13.820 0.559 -14.023 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.388 -1.277 -15.606 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.100 -1.011 -15.344 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.848 -3.184 -12.647 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.100 -2.251 -13.947 1.00 0.00 H new ATOM 1134 N ALA A 76 16.975 1.449 -13.743 1.00 0.00 N ATOM 1135 CA ALA A 76 18.092 1.829 -12.853 1.00 0.00 C ATOM 1136 C ALA A 76 17.663 2.793 -11.726 1.00 0.00 C ATOM 1137 O ALA A 76 18.040 2.611 -10.564 1.00 0.00 O ATOM 1138 CB ALA A 76 19.225 2.435 -13.691 1.00 0.00 C ATOM 0 H ALA A 76 17.173 1.618 -14.729 1.00 0.00 H new ATOM 0 HA ALA A 76 18.442 0.924 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.051 2.716 -13.037 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.572 1.701 -14.418 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.859 3.319 -14.214 1.00 0.00 H new ATOM 1144 N LYS A 77 16.868 3.813 -12.084 1.00 0.00 N ATOM 1145 CA LYS A 77 16.329 4.796 -11.116 1.00 0.00 C ATOM 1146 C LYS A 77 14.786 4.794 -11.099 1.00 0.00 C ATOM 1147 O LYS A 77 14.180 5.635 -10.431 1.00 0.00 O ATOM 1148 CB LYS A 77 16.900 6.231 -11.367 1.00 0.00 C ATOM 1149 CG LYS A 77 16.853 6.776 -12.823 1.00 0.00 C ATOM 1150 CD LYS A 77 17.995 6.221 -13.716 1.00 0.00 C ATOM 1151 CE LYS A 77 18.112 6.940 -15.068 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.471 8.376 -14.922 1.00 0.00 N ATOM 0 H LYS A 77 16.578 3.984 -13.047 1.00 0.00 H new ATOM 0 HA LYS A 77 16.663 4.485 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.355 6.927 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.939 6.243 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.893 6.520 -13.270 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.914 7.864 -12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.941 6.310 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.827 5.158 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.866 6.441 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 77 17.165 6.858 -15.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.044 8.675 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.604 8.948 -14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.017 8.510 -14.047 1.00 0.00 H new ATOM 1166 N ASN A 78 14.171 3.823 -11.817 1.00 0.00 N ATOM 1167 CA ASN A 78 12.691 3.653 -11.915 1.00 0.00 C ATOM 1168 C ASN A 78 11.993 4.955 -12.368 1.00 0.00 C ATOM 1169 O ASN A 78 10.895 5.283 -11.917 1.00 0.00 O ATOM 1170 CB ASN A 78 12.111 3.117 -10.574 1.00 0.00 C ATOM 1171 CG ASN A 78 12.592 1.703 -10.247 1.00 0.00 C ATOM 1172 OD1 ASN A 78 13.652 1.518 -9.660 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.810 0.696 -10.610 1.00 0.00 N ATOM 0 H ASN A 78 14.689 3.126 -12.352 1.00 0.00 H new ATOM 0 HA ASN A 78 12.488 2.909 -12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.396 3.790 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.022 3.123 -10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.085 -0.264 -10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.933 0.881 -11.097 1.00 0.00 H new ATOM 1180 N THR A 79 12.642 5.670 -13.299 1.00 0.00 N ATOM 1181 CA THR A 79 12.154 6.962 -13.807 1.00 0.00 C ATOM 1182 C THR A 79 11.787 6.829 -15.299 1.00 0.00 C ATOM 1183 O THR A 79 12.573 6.305 -16.096 1.00 0.00 O ATOM 1184 CB THR A 79 13.238 8.074 -13.593 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.643 8.091 -12.207 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.737 9.476 -13.992 1.00 0.00 C ATOM 0 H THR A 79 13.520 5.369 -13.721 1.00 0.00 H new ATOM 0 HA THR A 79 11.260 7.252 -13.254 1.00 0.00 H new ATOM 0 HB THR A 79 14.081 7.831 -14.240 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.322 8.785 -12.073 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.528 10.207 -13.823 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.461 9.477 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.867 9.737 -13.389 1.00 0.00 H new ATOM 1194 N VAL A 80 10.587 7.308 -15.660 1.00 0.00 N ATOM 1195 CA VAL A 80 10.063 7.249 -17.033 1.00 0.00 C ATOM 1196 C VAL A 80 10.161 8.647 -17.661 1.00 0.00 C ATOM 1197 O VAL A 80 9.616 9.602 -17.120 1.00 0.00 O ATOM 1198 CB VAL A 80 8.570 6.752 -17.062 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.057 6.570 -18.520 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.400 5.445 -16.243 1.00 0.00 C ATOM 0 H VAL A 80 9.947 7.751 -15.001 1.00 0.00 H new ATOM 0 HA VAL A 80 10.658 6.535 -17.603 1.00 0.00 H new ATOM 0 HB VAL A 80 7.959 7.524 -16.594 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.023 6.226 -18.502 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.113 7.522 -19.047 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.675 5.834 -19.034 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.359 5.125 -16.281 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.035 4.666 -16.665 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.687 5.625 -15.207 1.00 0.00 H new ATOM 1210 N TYR A 81 10.883 8.761 -18.777 1.00 0.00 N ATOM 1211 CA TYR A 81 11.117 10.039 -19.469 1.00 0.00 C ATOM 1212 C TYR A 81 10.197 10.187 -20.694 1.00 0.00 C ATOM 1213 O TYR A 81 9.773 9.189 -21.289 1.00 0.00 O ATOM 1214 CB TYR A 81 12.596 10.140 -19.909 1.00 0.00 C ATOM 1215 CG TYR A 81 13.606 10.049 -18.758 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.221 11.191 -18.248 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.942 8.822 -18.182 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.128 11.114 -17.214 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.848 8.742 -17.146 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.438 9.891 -16.664 1.00 0.00 C ATOM 1221 OH TYR A 81 16.332 9.821 -15.625 1.00 0.00 O ATOM 0 H TYR A 81 11.328 7.965 -19.234 1.00 0.00 H new ATOM 0 HA TYR A 81 10.889 10.846 -18.772 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.805 9.344 -20.624 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.743 11.085 -20.432 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.982 12.155 -18.672 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.483 7.918 -18.555 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.595 12.011 -16.836 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.094 7.783 -16.714 1.00 0.00 H new ATOM 0 HH TYR A 81 16.288 10.647 -15.100 1.00 0.00 H new ATOM 1231 N LEU A 82 9.900 11.449 -21.049 1.00 0.00 N ATOM 1232 CA LEU A 82 9.188 11.817 -22.282 1.00 0.00 C ATOM 1233 C LEU A 82 9.949 12.974 -22.955 1.00 0.00 C ATOM 1234 O LEU A 82 9.813 14.129 -22.559 1.00 0.00 O ATOM 1235 CB LEU A 82 7.718 12.215 -21.943 1.00 0.00 C ATOM 1236 CG LEU A 82 6.835 12.782 -23.106 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.684 11.783 -24.270 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.456 13.236 -22.582 1.00 0.00 C ATOM 0 H LEU A 82 10.153 12.254 -20.477 1.00 0.00 H new ATOM 0 HA LEU A 82 9.148 10.974 -22.972 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.217 11.336 -21.538 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.746 12.960 -21.148 1.00 0.00 H new ATOM 0 HG LEU A 82 7.355 13.653 -23.504 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.063 12.224 -25.050 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.667 11.548 -24.678 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.215 10.869 -23.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.863 13.625 -23.409 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.940 12.387 -22.133 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.590 14.016 -21.833 1.00 0.00 H new ATOM 1250 N GLN A 83 10.788 12.645 -23.949 1.00 0.00 N ATOM 1251 CA GLN A 83 11.509 13.644 -24.751 1.00 0.00 C ATOM 1252 C GLN A 83 10.571 14.201 -25.829 1.00 0.00 C ATOM 1253 O GLN A 83 10.301 13.539 -26.832 1.00 0.00 O ATOM 1254 CB GLN A 83 12.795 13.031 -25.388 1.00 0.00 C ATOM 1255 CG GLN A 83 13.601 13.981 -26.316 1.00 0.00 C ATOM 1256 CD GLN A 83 14.103 15.255 -25.623 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.191 15.282 -25.057 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.317 16.325 -25.684 1.00 0.00 N ATOM 0 H GLN A 83 10.985 11.681 -24.219 1.00 0.00 H new ATOM 0 HA GLN A 83 11.828 14.459 -24.101 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.451 12.693 -24.586 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.510 12.148 -25.960 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.456 13.438 -26.719 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.974 14.263 -27.162 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.418 16.271 -26.162 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.613 17.201 -25.253 1.00 0.00 H new ATOM 1267 N MET A 84 10.035 15.401 -25.582 1.00 0.00 N ATOM 1268 CA MET A 84 9.240 16.144 -26.570 1.00 0.00 C ATOM 1269 C MET A 84 10.172 17.084 -27.346 1.00 0.00 C ATOM 1270 O MET A 84 11.026 17.732 -26.748 1.00 0.00 O ATOM 1271 CB MET A 84 8.125 16.959 -25.877 1.00 0.00 C ATOM 1272 CG MET A 84 7.216 16.151 -24.950 1.00 0.00 C ATOM 1273 SD MET A 84 5.740 17.073 -24.457 1.00 0.00 S ATOM 1274 CE MET A 84 6.410 18.621 -23.840 1.00 0.00 C ATOM 0 H MET A 84 10.139 15.886 -24.691 1.00 0.00 H new ATOM 0 HA MET A 84 8.766 15.439 -27.253 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.586 17.761 -25.301 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.510 17.431 -26.644 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.916 15.231 -25.451 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.774 15.861 -24.060 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.782 18.992 -23.030 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.422 18.457 -23.470 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.433 19.355 -24.646 1.00 0.00 H new ATOM 1284 N ASN A 85 10.022 17.138 -28.668 1.00 0.00 N ATOM 1285 CA ASN A 85 10.811 18.027 -29.544 1.00 0.00 C ATOM 1286 C ASN A 85 9.874 18.628 -30.597 1.00 0.00 C ATOM 1287 O ASN A 85 8.704 18.217 -30.680 1.00 0.00 O ATOM 1288 CB ASN A 85 11.964 17.225 -30.222 1.00 0.00 C ATOM 1289 CG ASN A 85 12.955 18.097 -31.009 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.203 19.252 -30.655 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.488 17.577 -32.104 1.00 0.00 N ATOM 0 H ASN A 85 9.346 16.565 -29.173 1.00 0.00 H new ATOM 0 HA ASN A 85 11.261 18.829 -28.959 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.510 16.675 -29.455 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.531 16.486 -30.897 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.121 18.135 -32.678 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.266 16.619 -32.374 1.00 0.00 H new ATOM 1298 N SER A 86 10.377 19.626 -31.359 1.00 0.00 N ATOM 1299 CA SER A 86 9.675 20.208 -32.521 1.00 0.00 C ATOM 1300 C SER A 86 8.301 20.788 -32.099 1.00 0.00 C ATOM 1301 O SER A 86 7.336 20.781 -32.865 1.00 0.00 O ATOM 1302 CB SER A 86 9.559 19.139 -33.654 1.00 0.00 C ATOM 1303 OG SER A 86 9.057 19.680 -34.864 1.00 0.00 O ATOM 0 H SER A 86 11.287 20.051 -31.182 1.00 0.00 H new ATOM 0 HA SER A 86 10.251 21.044 -32.917 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.540 18.700 -33.836 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.905 18.332 -33.322 1.00 0.00 H new ATOM 0 HG SER A 86 8.351 20.329 -34.664 1.00 0.00 H new ATOM 1309 N LEU A 87 8.265 21.309 -30.861 1.00 0.00 N ATOM 1310 CA LEU A 87 7.040 21.795 -30.204 1.00 0.00 C ATOM 1311 C LEU A 87 6.547 23.113 -30.825 1.00 0.00 C ATOM 1312 O LEU A 87 7.316 23.842 -31.442 1.00 0.00 O ATOM 1313 CB LEU A 87 7.309 21.955 -28.686 1.00 0.00 C ATOM 1314 CG LEU A 87 7.677 20.636 -27.931 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.091 20.913 -26.470 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.516 19.615 -28.014 1.00 0.00 C ATOM 0 H LEU A 87 9.098 21.406 -30.280 1.00 0.00 H new ATOM 0 HA LEU A 87 6.245 21.064 -30.354 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.120 22.670 -28.551 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.423 22.386 -28.220 1.00 0.00 H new ATOM 0 HG LEU A 87 8.543 20.197 -28.426 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.339 19.973 -25.978 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.960 21.570 -26.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.266 21.392 -25.943 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.793 18.705 -27.482 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.622 20.043 -27.560 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.314 19.378 -29.059 1.00 0.00 H new ATOM 1328 N LYS A 88 5.253 23.382 -30.658 1.00 0.00 N ATOM 1329 CA LYS A 88 4.564 24.576 -31.188 1.00 0.00 C ATOM 1330 C LYS A 88 3.728 25.193 -30.051 1.00 0.00 C ATOM 1331 O LYS A 88 3.438 24.483 -29.085 1.00 0.00 O ATOM 1332 CB LYS A 88 3.699 24.226 -32.452 1.00 0.00 C ATOM 1333 CG LYS A 88 2.761 22.999 -32.331 1.00 0.00 C ATOM 1334 CD LYS A 88 3.471 21.616 -32.388 1.00 0.00 C ATOM 1335 CE LYS A 88 4.041 21.239 -33.770 1.00 0.00 C ATOM 1336 NZ LYS A 88 5.213 22.050 -34.184 1.00 0.00 N ATOM 0 H LYS A 88 4.631 22.764 -30.137 1.00 0.00 H new ATOM 0 HA LYS A 88 5.294 25.310 -31.529 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.092 25.096 -32.701 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.374 24.058 -33.291 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.214 23.071 -31.391 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.024 23.045 -33.133 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.284 21.610 -31.661 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.763 20.847 -32.080 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.326 20.187 -33.759 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.255 21.348 -34.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.919 21.435 -34.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.908 22.781 -34.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.634 22.503 -33.348 1.00 0.00 H new ATOM 1350 N PRO A 89 3.349 26.531 -30.117 1.00 0.00 N ATOM 1351 CA PRO A 89 2.736 27.261 -28.969 1.00 0.00 C ATOM 1352 C PRO A 89 1.481 26.571 -28.361 1.00 0.00 C ATOM 1353 O PRO A 89 1.177 26.771 -27.177 1.00 0.00 O ATOM 1354 CB PRO A 89 2.390 28.671 -29.557 1.00 0.00 C ATOM 1355 CG PRO A 89 2.462 28.503 -31.043 1.00 0.00 C ATOM 1356 CD PRO A 89 3.504 27.444 -31.285 1.00 0.00 C ATOM 0 HA PRO A 89 3.426 27.297 -28.126 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.397 28.995 -29.245 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.096 29.426 -29.211 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.497 28.202 -31.450 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.735 29.439 -31.530 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.335 26.923 -32.227 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.506 27.870 -31.331 1.00 0.00 H new ATOM 1364 N GLU A 90 0.785 25.737 -29.170 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.431 25.002 -28.729 1.00 0.00 C ATOM 1366 C GLU A 90 -0.126 23.951 -27.629 1.00 0.00 C ATOM 1367 O GLU A 90 -1.035 23.529 -26.906 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.125 24.313 -29.931 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.338 23.128 -30.528 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.027 22.466 -31.733 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -0.676 22.786 -32.892 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.939 21.631 -31.523 1.00 0.00 O ATOM 0 H GLU A 90 1.045 25.554 -30.139 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.102 25.746 -28.299 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.106 23.959 -29.614 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.291 25.054 -30.713 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.649 23.477 -30.833 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.186 22.378 -29.752 1.00 0.00 H new ATOM 1379 N ASP A 91 1.161 23.554 -27.494 1.00 0.00 N ATOM 1380 CA ASP A 91 1.617 22.594 -26.460 1.00 0.00 C ATOM 1381 C ASP A 91 1.848 23.308 -25.104 1.00 0.00 C ATOM 1382 O ASP A 91 2.711 22.913 -24.317 1.00 0.00 O ATOM 1383 CB ASP A 91 2.912 21.862 -26.920 1.00 0.00 C ATOM 1384 CG ASP A 91 2.750 21.016 -28.196 1.00 0.00 C ATOM 1385 OD1 ASP A 91 3.501 21.234 -29.173 1.00 0.00 O ATOM 1386 OD2 ASP A 91 1.878 20.118 -28.221 1.00 0.00 O ATOM 0 H ASP A 91 1.912 23.889 -28.098 1.00 0.00 H new ATOM 0 HA ASP A 91 0.832 21.850 -26.323 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.693 22.604 -27.088 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.255 21.216 -26.112 1.00 0.00 H new ATOM 1391 N THR A 92 1.083 24.381 -24.841 1.00 0.00 N ATOM 1392 CA THR A 92 0.951 24.951 -23.503 1.00 0.00 C ATOM 1393 C THR A 92 -0.121 24.139 -22.744 1.00 0.00 C ATOM 1394 O THR A 92 -1.326 24.388 -22.891 1.00 0.00 O ATOM 1395 CB THR A 92 0.582 26.465 -23.581 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.625 27.156 -24.281 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.378 27.107 -22.196 1.00 0.00 C ATOM 0 H THR A 92 0.542 24.872 -25.553 1.00 0.00 H new ATOM 0 HA THR A 92 1.899 24.890 -22.968 1.00 0.00 H new ATOM 0 HB THR A 92 -0.369 26.547 -24.108 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.501 27.043 -25.247 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.124 28.160 -22.317 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.431 26.596 -21.674 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.297 27.020 -21.616 1.00 0.00 H new ATOM 1405 N ALA A 93 0.339 23.124 -21.992 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.539 22.138 -21.332 1.00 0.00 C ATOM 1407 C ALA A 93 0.204 21.433 -20.186 1.00 0.00 C ATOM 1408 O ALA A 93 1.417 21.565 -20.049 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.029 21.108 -22.369 1.00 0.00 C ATOM 0 H ALA A 93 1.332 22.963 -21.824 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.399 22.657 -20.909 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.677 20.380 -21.881 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.585 21.619 -23.155 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.172 20.595 -22.805 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.535 20.707 -19.344 1.00 0.00 N ATOM 1416 CA VAL A 94 0.046 19.853 -18.305 1.00 0.00 C ATOM 1417 C VAL A 94 0.181 18.405 -18.827 1.00 0.00 C ATOM 1418 O VAL A 94 -0.797 17.793 -19.274 1.00 0.00 O ATOM 1419 CB VAL A 94 -0.790 19.922 -16.962 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.276 19.524 -17.151 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.132 19.084 -15.847 1.00 0.00 C ATOM 0 H VAL A 94 -1.555 20.695 -19.363 1.00 0.00 H new ATOM 0 HA VAL A 94 1.043 20.223 -18.068 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.785 20.968 -16.656 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.795 19.591 -16.195 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.745 20.199 -17.867 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.334 18.501 -17.524 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.731 19.153 -14.939 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.070 18.043 -16.163 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.871 19.464 -15.650 1.00 0.00 H new ATOM 1431 N TYR A 95 1.420 17.894 -18.837 1.00 0.00 N ATOM 1432 CA TYR A 95 1.712 16.491 -19.128 1.00 0.00 C ATOM 1433 C TYR A 95 1.828 15.731 -17.806 1.00 0.00 C ATOM 1434 O TYR A 95 2.590 16.126 -16.921 1.00 0.00 O ATOM 1435 CB TYR A 95 3.002 16.347 -19.981 1.00 0.00 C ATOM 1436 CG TYR A 95 2.783 16.615 -21.481 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.829 15.579 -22.421 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.507 17.897 -21.954 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.612 15.817 -23.764 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.292 18.138 -23.298 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.344 17.099 -24.198 1.00 0.00 C ATOM 1442 OH TYR A 95 2.112 17.334 -25.533 1.00 0.00 O ATOM 0 H TYR A 95 2.252 18.451 -18.641 1.00 0.00 H new ATOM 0 HA TYR A 95 0.900 16.066 -19.719 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.756 17.038 -19.604 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.400 15.340 -19.855 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.038 14.573 -22.089 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.460 18.719 -21.255 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.652 15.002 -24.472 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.083 19.141 -23.641 1.00 0.00 H new ATOM 0 HH TYR A 95 2.532 16.628 -26.067 1.00 0.00 H new ATOM 1452 N LEU A 96 1.048 14.653 -17.686 1.00 0.00 N ATOM 1453 CA LEU A 96 0.954 13.840 -16.470 1.00 0.00 C ATOM 1454 C LEU A 96 1.150 12.360 -16.820 1.00 0.00 C ATOM 1455 O LEU A 96 0.736 11.907 -17.887 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.423 14.048 -15.753 1.00 0.00 C ATOM 1457 CG LEU A 96 -1.727 13.711 -16.579 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.930 13.449 -15.650 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -2.073 14.830 -17.598 1.00 0.00 C ATOM 0 H LEU A 96 0.454 14.315 -18.443 1.00 0.00 H new ATOM 0 HA LEU A 96 1.739 14.157 -15.784 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.429 13.438 -14.850 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.484 15.089 -15.435 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.515 12.800 -17.138 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.810 13.220 -16.251 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.708 12.606 -14.996 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.123 14.336 -15.046 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.976 14.558 -18.144 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.239 15.767 -17.067 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.247 14.952 -18.299 1.00 0.00 H new ATOM 1471 N CYS A 97 1.805 11.627 -15.922 1.00 0.00 N ATOM 1472 CA CYS A 97 1.953 10.178 -16.015 1.00 0.00 C ATOM 1473 C CYS A 97 0.815 9.514 -15.234 1.00 0.00 C ATOM 1474 O CYS A 97 0.213 10.130 -14.343 1.00 0.00 O ATOM 1475 CB CYS A 97 3.323 9.746 -15.469 1.00 0.00 C ATOM 1476 SG CYS A 97 3.656 7.972 -15.582 1.00 0.00 S ATOM 0 H CYS A 97 2.253 12.029 -15.099 1.00 0.00 H new ATOM 0 HA CYS A 97 1.900 9.866 -17.058 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.101 10.283 -16.011 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.395 10.050 -14.425 1.00 0.00 H new ATOM 0 HG CYS A 97 4.835 7.720 -15.097 1.00 0.00 H new ATOM 1482 N ALA A 98 0.522 8.264 -15.573 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.557 7.493 -14.951 1.00 0.00 C ATOM 1484 C ALA A 98 -0.086 6.062 -14.707 1.00 0.00 C ATOM 1485 O ALA A 98 0.755 5.561 -15.442 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.805 7.503 -15.843 1.00 0.00 C ATOM 0 H ALA A 98 1.029 7.749 -16.293 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.818 7.950 -13.996 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.597 6.926 -15.367 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.141 8.530 -15.987 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.565 7.060 -16.810 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.623 5.417 -13.669 1.00 0.00 N ATOM 1493 CA ALA A 99 -0.359 4.003 -13.370 1.00 0.00 C ATOM 1494 C ALA A 99 -1.661 3.212 -13.569 1.00 0.00 C ATOM 1495 O ALA A 99 -2.718 3.622 -13.080 1.00 0.00 O ATOM 1496 CB ALA A 99 0.180 3.850 -11.941 1.00 0.00 C ATOM 0 H ALA A 99 -1.258 5.862 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 99 0.403 3.611 -14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.371 2.797 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.108 4.413 -11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.555 4.231 -11.232 1.00 0.00 H new ATOM 1502 N GLY A 100 -1.574 2.089 -14.291 1.00 0.00 N ATOM 1503 CA GLY A 100 -2.742 1.320 -14.709 1.00 0.00 C ATOM 1504 C GLY A 100 -2.738 -0.106 -14.201 1.00 0.00 C ATOM 1505 O GLY A 100 -1.799 -0.546 -13.520 1.00 0.00 O ATOM 0 H GLY A 100 -0.687 1.691 -14.600 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.643 1.821 -14.355 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.790 1.310 -15.798 1.00 0.00 H new ATOM 1652 N PRO A 110 -6.011 3.073 -16.605 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.206 3.976 -15.751 1.00 0.00 C ATOM 1654 C PRO A 110 -6.006 4.400 -14.502 1.00 0.00 C ATOM 1655 O PRO A 110 -6.783 5.356 -14.532 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.874 5.174 -16.684 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.998 5.182 -17.680 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.355 3.722 -17.902 1.00 0.00 C ATOM 0 HA PRO A 110 -4.301 3.511 -15.359 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.826 6.111 -16.129 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.909 5.043 -17.173 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.853 5.742 -17.302 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.693 5.657 -18.612 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.411 3.600 -18.143 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.788 3.292 -18.728 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.845 3.627 -13.425 1.00 0.00 N ATOM 1667 CA ASP A 111 -6.619 3.797 -12.181 1.00 0.00 C ATOM 1668 C ASP A 111 -5.997 4.883 -11.285 1.00 0.00 C ATOM 1669 O ASP A 111 -6.674 5.477 -10.437 1.00 0.00 O ATOM 1670 CB ASP A 111 -6.707 2.436 -11.442 1.00 0.00 C ATOM 1671 CG ASP A 111 -7.652 2.455 -10.224 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -7.190 2.243 -9.080 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -8.871 2.668 -10.412 1.00 0.00 O ATOM 0 H ASP A 111 -5.173 2.861 -13.386 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.627 4.129 -12.430 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.046 1.673 -12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.709 2.146 -11.113 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.700 5.137 -11.497 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.915 6.119 -10.727 1.00 0.00 C ATOM 1680 C TYR A 112 -3.328 7.142 -11.700 1.00 0.00 C ATOM 1681 O TYR A 112 -3.032 6.804 -12.848 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.766 5.414 -9.947 1.00 0.00 C ATOM 1683 CG TYR A 112 -3.221 4.148 -9.210 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -3.078 2.891 -9.798 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -3.840 4.214 -7.958 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.539 1.756 -9.174 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -4.289 3.074 -7.325 1.00 0.00 C ATOM 1688 CZ TYR A 112 -4.141 1.850 -7.941 1.00 0.00 C ATOM 1689 OH TYR A 112 -4.625 0.715 -7.332 1.00 0.00 O ATOM 0 H TYR A 112 -4.156 4.662 -12.217 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.563 6.614 -10.003 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.969 5.154 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.343 6.114 -9.226 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.596 2.808 -10.761 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.969 5.173 -7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.429 0.793 -9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -4.754 3.140 -6.352 1.00 0.00 H new ATOM 0 HH TYR A 112 -5.019 0.951 -6.467 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.189 8.385 -11.240 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.517 9.468 -11.981 1.00 0.00 C ATOM 1701 C TRP A 113 -1.495 10.139 -11.058 1.00 0.00 C ATOM 1702 O TRP A 113 -1.557 9.985 -9.824 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.554 10.500 -12.508 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.492 9.957 -13.572 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.288 9.956 -14.926 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.777 9.344 -13.367 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.355 9.384 -15.567 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.283 9.001 -14.636 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.547 9.053 -12.233 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.521 8.386 -14.807 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.776 8.441 -12.401 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.252 8.114 -13.681 1.00 0.00 C ATOM 0 H TRP A 113 -3.543 8.679 -10.330 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.002 9.053 -12.847 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.147 10.862 -11.668 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.020 11.358 -12.915 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.411 10.350 -15.418 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.444 9.263 -16.576 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.187 9.302 -11.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.890 8.133 -15.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.379 8.211 -11.535 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.216 7.637 -13.780 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.557 10.872 -11.662 1.00 0.00 N ATOM 1724 CA GLY A 114 0.506 11.537 -10.924 1.00 0.00 C ATOM 1725 C GLY A 114 0.125 12.915 -10.431 1.00 0.00 C ATOM 1726 O GLY A 114 -1.023 13.149 -10.027 1.00 0.00 O ATOM 0 H GLY A 114 -0.517 11.018 -12.671 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.787 10.919 -10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.386 11.618 -11.563 1.00 0.00 H new ATOM 1730 N GLN A 115 1.094 13.834 -10.463 1.00 0.00 N ATOM 1731 CA GLN A 115 0.906 15.223 -9.999 1.00 0.00 C ATOM 1732 C GLN A 115 0.728 16.175 -11.194 1.00 0.00 C ATOM 1733 O GLN A 115 0.064 17.217 -11.089 1.00 0.00 O ATOM 1734 CB GLN A 115 2.110 15.657 -9.123 1.00 0.00 C ATOM 1735 CG GLN A 115 3.468 15.726 -9.861 1.00 0.00 C ATOM 1736 CD GLN A 115 4.655 16.050 -8.956 1.00 0.00 C ATOM 1737 OE1 GLN A 115 5.599 16.729 -9.361 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.647 15.522 -7.740 1.00 0.00 N ATOM 0 H GLN A 115 2.034 13.642 -10.810 1.00 0.00 H new ATOM 0 HA GLN A 115 0.001 15.271 -9.394 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.895 16.637 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 115 2.202 14.961 -8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.651 14.771 -10.353 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.405 16.481 -10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.851 14.964 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.437 15.674 -7.113 1.00 0.00 H new ATOM 1747 N GLY A 116 1.324 15.785 -12.335 1.00 0.00 N ATOM 1748 CA GLY A 116 1.356 16.605 -13.536 1.00 0.00 C ATOM 1749 C GLY A 116 2.503 17.606 -13.516 1.00 0.00 C ATOM 1750 O GLY A 116 2.999 17.983 -12.446 1.00 0.00 O ATOM 0 H GLY A 116 1.796 14.887 -12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.452 15.962 -14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.411 17.139 -13.635 1.00 0.00 H new ATOM 1754 N THR A 117 2.926 18.041 -14.709 1.00 0.00 N ATOM 1755 CA THR A 117 3.947 19.078 -14.869 1.00 0.00 C ATOM 1756 C THR A 117 3.554 19.986 -16.060 1.00 0.00 C ATOM 1757 O THR A 117 3.363 19.516 -17.193 1.00 0.00 O ATOM 1758 CB THR A 117 5.387 18.464 -15.027 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.368 19.506 -15.107 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.524 17.530 -16.242 1.00 0.00 C ATOM 0 H THR A 117 2.567 17.681 -15.593 1.00 0.00 H new ATOM 0 HA THR A 117 3.990 19.686 -13.966 1.00 0.00 H new ATOM 0 HB THR A 117 5.556 17.856 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.005 19.413 -14.368 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.542 17.142 -16.290 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.824 16.700 -16.144 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.304 18.085 -17.154 1.00 0.00 H new ATOM 1768 N GLN A 118 3.360 21.281 -15.761 1.00 0.00 N ATOM 1769 CA GLN A 118 2.911 22.282 -16.739 1.00 0.00 C ATOM 1770 C GLN A 118 4.052 22.658 -17.684 1.00 0.00 C ATOM 1771 O GLN A 118 4.973 23.392 -17.305 1.00 0.00 O ATOM 1772 CB GLN A 118 2.345 23.546 -16.014 1.00 0.00 C ATOM 1773 CG GLN A 118 0.929 23.367 -15.406 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.256 23.613 -16.379 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -1.341 24.011 -15.945 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.073 23.406 -17.688 1.00 0.00 N ATOM 0 H GLN A 118 3.512 21.664 -14.828 1.00 0.00 H new ATOM 0 HA GLN A 118 2.108 21.847 -17.334 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.034 23.830 -15.218 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.319 24.373 -16.723 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.848 22.354 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.828 24.047 -14.560 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.829 23.077 -18.031 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.836 23.577 -18.343 1.00 0.00 H new ATOM 1785 N VAL A 119 3.996 22.112 -18.904 1.00 0.00 N ATOM 1786 CA VAL A 119 4.875 22.518 -20.001 1.00 0.00 C ATOM 1787 C VAL A 119 4.220 23.733 -20.680 1.00 0.00 C ATOM 1788 O VAL A 119 2.990 23.793 -20.817 1.00 0.00 O ATOM 1789 CB VAL A 119 5.121 21.338 -21.036 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.503 20.028 -20.297 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.916 21.099 -21.982 1.00 0.00 C ATOM 0 H VAL A 119 3.338 21.375 -19.157 1.00 0.00 H new ATOM 0 HA VAL A 119 5.860 22.778 -19.613 1.00 0.00 H new ATOM 0 HB VAL A 119 5.955 21.649 -21.665 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.667 19.234 -21.025 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.416 20.187 -19.722 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.695 19.742 -19.623 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.146 20.281 -22.665 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.036 20.843 -21.392 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.718 22.005 -22.555 1.00 0.00 H new ATOM 1801 N THR A 120 5.011 24.741 -21.029 1.00 0.00 N ATOM 1802 CA THR A 120 4.505 25.935 -21.695 1.00 0.00 C ATOM 1803 C THR A 120 5.421 26.248 -22.866 1.00 0.00 C ATOM 1804 O THR A 120 6.577 26.592 -22.671 1.00 0.00 O ATOM 1805 CB THR A 120 4.435 27.132 -20.691 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.686 26.739 -19.527 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.794 28.386 -21.311 1.00 0.00 C ATOM 0 H THR A 120 6.017 24.754 -20.859 1.00 0.00 H new ATOM 0 HA THR A 120 3.493 25.765 -22.062 1.00 0.00 H new ATOM 0 HB THR A 120 5.459 27.389 -20.420 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.643 27.488 -18.897 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.770 29.186 -20.571 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.380 28.706 -22.173 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.777 28.156 -21.629 1.00 0.00 H new ATOM 1815 N VAL A 121 4.932 26.070 -24.089 1.00 0.00 N ATOM 1816 CA VAL A 121 5.721 26.377 -25.276 1.00 0.00 C ATOM 1817 C VAL A 121 5.447 27.821 -25.709 1.00 0.00 C ATOM 1818 O VAL A 121 4.369 28.118 -26.232 1.00 0.00 O ATOM 1819 CB VAL A 121 5.453 25.366 -26.433 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.356 25.668 -27.662 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.662 23.916 -25.939 1.00 0.00 C ATOM 0 H VAL A 121 3.996 25.716 -24.284 1.00 0.00 H new ATOM 0 HA VAL A 121 6.778 26.278 -25.027 1.00 0.00 H new ATOM 0 HB VAL A 121 4.416 25.477 -26.749 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.147 24.947 -28.453 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.151 26.675 -28.025 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.404 25.594 -27.371 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.471 23.222 -26.757 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.688 23.794 -25.591 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.974 23.708 -25.119 1.00 0.00 H new ATOM 1831 N SER A 122 6.412 28.717 -25.399 1.00 0.00 N ATOM 1832 CA SER A 122 6.452 30.104 -25.898 1.00 0.00 C ATOM 1833 C SER A 122 6.160 30.191 -27.413 1.00 0.00 C ATOM 1834 O SER A 122 6.585 29.331 -28.197 1.00 0.00 O ATOM 1835 CB SER A 122 7.847 30.720 -25.607 1.00 0.00 C ATOM 1836 OG SER A 122 7.976 32.021 -26.152 1.00 0.00 O ATOM 0 H SER A 122 7.195 28.490 -24.786 1.00 0.00 H new ATOM 0 HA SER A 122 5.672 30.661 -25.379 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.008 30.760 -24.530 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.622 30.075 -26.021 1.00 0.00 H new ATOM 0 HG SER A 122 8.866 32.375 -25.946 1.00 0.00 H new ATOM 1842 N SER A 123 5.445 31.254 -27.796 1.00 0.00 N ATOM 1843 CA SER A 123 5.142 31.570 -29.194 1.00 0.00 C ATOM 1844 C SER A 123 6.415 32.027 -29.941 1.00 0.00 C ATOM 1845 O SER A 123 7.449 32.303 -29.307 1.00 0.00 O ATOM 1846 CB SER A 123 4.052 32.655 -29.234 1.00 0.00 C ATOM 1847 OG SER A 123 4.415 33.811 -28.495 1.00 0.00 O ATOM 0 H SER A 123 5.056 31.927 -27.135 1.00 0.00 H new ATOM 0 HA SER A 123 4.776 30.677 -29.700 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.859 32.935 -30.270 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.123 32.248 -28.835 1.00 0.00 H new ATOM 0 HG SER A 123 3.695 34.474 -28.549 1.00 0.00 H new ATOM 1853 N LEU A 124 6.329 32.100 -31.287 1.00 0.00 N ATOM 1854 CA LEU A 124 7.466 32.502 -32.145 1.00 0.00 C ATOM 1855 C LEU A 124 7.969 33.917 -31.790 1.00 0.00 C ATOM 1856 O LEU A 124 9.184 34.158 -31.743 1.00 0.00 O ATOM 1857 CB LEU A 124 7.091 32.426 -33.665 1.00 0.00 C ATOM 1858 CG LEU A 124 7.043 31.010 -34.324 1.00 0.00 C ATOM 1859 CD1 LEU A 124 8.351 30.242 -34.084 1.00 0.00 C ATOM 1860 CD2 LEU A 124 5.811 30.204 -33.874 1.00 0.00 C ATOM 0 H LEU A 124 5.478 31.884 -31.806 1.00 0.00 H new ATOM 0 HA LEU A 124 8.273 31.795 -31.955 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.114 32.891 -33.794 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.808 33.031 -34.219 1.00 0.00 H new ATOM 0 HG LEU A 124 6.941 31.155 -35.400 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.288 29.261 -34.554 1.00 0.00 H new ATOM 0 HD12 LEU A 124 9.184 30.798 -34.515 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.511 30.122 -33.013 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.819 29.227 -34.357 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.836 30.074 -32.792 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.904 30.739 -34.154 1.00 0.00 H new