USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 961 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 73 THR OG1 : rot 86:sc= -0.327 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -3.14! C(o=-3.5!,f=-3.4!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -4.86! C(o=-7.1!,f=-15!) USER MOD Set 2.2: A 54 ASN : amide:sc= -2.23! C(o=-7.1!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0742 (180deg=0) USER MOD Single : A 2 SER OG : rot 7:sc= 0.137 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 19:sc= 0.313 USER MOD Single : A 11 SER OG : rot -11:sc= 0.666 USER MOD Single : A 19 GLN : amide:sc=-0.00207 X(o=-0.0021,f=-0.48) USER MOD Single : A 20 SER OG : rot 15:sc= 1.25 USER MOD Single : A 27 MET CE :methyl -167:sc= -0.591 (180deg=-0.905) USER MOD Single : A 28 THR OG1 : rot -100:sc= 0.0609 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.057) USER MOD Single : A 34 CYS SG : rot -150:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.232 K(o=0.23,f=-0.73) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -1.21 (180deg=-2.08!) USER MOD Single : A 56 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 58 GLN : amide:sc= -2.47! C(o=-2.5!,f=-6!) USER MOD Single : A 63 ASN : amide:sc= -0.426 K(o=-0.43,f=-4.1!) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0464) USER MOD Single : A 67 GLN : amide:sc= -2.92! X(o=-2.9!,f=-3.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00213 USER MOD Single : A 75 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 76 GLN : amide:sc= -7.41! C(o=-7.4!,f=-8.7!) USER MOD Single : A 81 TYR OH : rot -111:sc= 0.572 USER MOD Single : A 82 ASN : amide:sc= -7.3! C(o=-7.3!,f=-7.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 89 HIS : no HE2:sc= -0.0386 K(o=-0.039,f=-0.64) USER MOD Single : A 93 SER OG : rot 180:sc= -1.29 USER MOD Single : A 94 TYR OH : rot -148:sc= 0.078 USER MOD Single : A 98 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-3.2!) USER MOD Single : A 102 ASN : amide:sc= -3.17! C(o=-3.2!,f=-7.5!) USER MOD Single : A 106 TYR OH : rot -67:sc= 0.814 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -117:sc= -1.19 (180deg=-5.31!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -144:sc= -0.825 (180deg=-2.26!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : 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 1 N GLY A 1 -25.992 -8.179 -33.983 1.00 0.00 N ATOM 2 CA GLY A 1 -24.918 -7.272 -33.623 1.00 0.00 C ATOM 3 C GLY A 1 -23.551 -7.825 -33.970 1.00 0.00 C ATOM 4 O GLY A 1 -23.433 -8.953 -34.448 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.567 -7.754 -34.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.590 -9.078 -34.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.590 -8.357 -33.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.063 -6.321 -34.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.963 -7.067 -32.553 1.00 0.00 H new ATOM 8 N SER A 2 -22.514 -7.029 -33.729 1.00 0.00 N ATOM 9 CA SER A 2 -21.147 -7.443 -34.024 1.00 0.00 C ATOM 10 C SER A 2 -20.171 -6.864 -33.004 1.00 0.00 C ATOM 11 O SER A 2 -20.103 -5.650 -32.814 1.00 0.00 O ATOM 12 CB SER A 2 -20.751 -7.001 -35.434 1.00 0.00 C ATOM 13 OG SER A 2 -21.371 -7.813 -36.416 1.00 0.00 O ATOM 0 H SER A 2 -22.594 -6.094 -33.330 1.00 0.00 H new ATOM 0 HA SER A 2 -21.103 -8.531 -33.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.036 -5.960 -35.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.668 -7.054 -35.544 1.00 0.00 H new ATOM 0 HG SER A 2 -22.012 -8.416 -35.985 1.00 0.00 H new ATOM 19 N SER A 3 -19.418 -7.742 -32.351 1.00 0.00 N ATOM 20 CA SER A 3 -18.448 -7.320 -31.347 1.00 0.00 C ATOM 21 C SER A 3 -17.138 -8.087 -31.501 1.00 0.00 C ATOM 22 O SER A 3 -17.094 -9.143 -32.131 1.00 0.00 O ATOM 23 CB SER A 3 -19.013 -7.530 -29.941 1.00 0.00 C ATOM 24 OG SER A 3 -18.382 -6.674 -29.004 1.00 0.00 O ATOM 0 H SER A 3 -19.460 -8.750 -32.499 1.00 0.00 H new ATOM 0 HA SER A 3 -18.247 -6.259 -31.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.087 -7.341 -29.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.873 -8.569 -29.641 1.00 0.00 H new ATOM 0 HG SER A 3 -18.762 -6.827 -28.114 1.00 0.00 H new ATOM 30 N GLY A 4 -16.071 -7.546 -30.919 1.00 0.00 N ATOM 31 CA GLY A 4 -14.774 -8.192 -31.003 1.00 0.00 C ATOM 32 C GLY A 4 -13.847 -7.778 -29.878 1.00 0.00 C ATOM 33 O GLY A 4 -14.110 -8.064 -28.710 1.00 0.00 O ATOM 0 H GLY A 4 -16.082 -6.673 -30.392 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.908 -9.273 -30.980 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.311 -7.948 -31.959 1.00 0.00 H new ATOM 37 N SER A 5 -12.757 -7.102 -30.229 1.00 0.00 N ATOM 38 CA SER A 5 -11.784 -6.652 -29.240 1.00 0.00 C ATOM 39 C SER A 5 -12.346 -5.503 -28.410 1.00 0.00 C ATOM 40 O SER A 5 -12.426 -4.366 -28.876 1.00 0.00 O ATOM 41 CB SER A 5 -10.491 -6.214 -29.929 1.00 0.00 C ATOM 42 OG SER A 5 -9.893 -7.294 -30.626 1.00 0.00 O ATOM 0 H SER A 5 -12.526 -6.854 -31.191 1.00 0.00 H new ATOM 0 HA SER A 5 -11.567 -7.487 -28.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.703 -5.401 -30.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.794 -5.825 -29.187 1.00 0.00 H new ATOM 0 HG SER A 5 -9.069 -6.988 -31.059 1.00 0.00 H new ATOM 48 N SER A 6 -12.735 -5.807 -27.175 1.00 0.00 N ATOM 49 CA SER A 6 -13.293 -4.801 -26.279 1.00 0.00 C ATOM 50 C SER A 6 -12.197 -3.890 -25.735 1.00 0.00 C ATOM 51 O SER A 6 -11.209 -4.357 -25.170 1.00 0.00 O ATOM 52 CB SER A 6 -14.034 -5.474 -25.122 1.00 0.00 C ATOM 53 OG SER A 6 -13.142 -6.211 -24.305 1.00 0.00 O ATOM 0 H SER A 6 -12.674 -6.742 -26.773 1.00 0.00 H new ATOM 0 HA SER A 6 -13.997 -4.193 -26.848 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.541 -4.718 -24.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.804 -6.138 -25.516 1.00 0.00 H new ATOM 0 HG SER A 6 -12.224 -5.906 -24.465 1.00 0.00 H new ATOM 59 N GLY A 7 -12.379 -2.585 -25.911 1.00 0.00 N ATOM 60 CA GLY A 7 -11.399 -1.628 -25.433 1.00 0.00 C ATOM 61 C GLY A 7 -12.036 -0.347 -24.931 1.00 0.00 C ATOM 62 O GLY A 7 -11.659 0.746 -25.349 1.00 0.00 O ATOM 0 H GLY A 7 -13.188 -2.173 -26.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.817 -2.079 -24.630 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.703 -1.393 -26.238 1.00 0.00 H new ATOM 66 N GLU A 8 -13.005 -0.484 -24.031 1.00 0.00 N ATOM 67 CA GLU A 8 -13.697 0.672 -23.473 1.00 0.00 C ATOM 68 C GLU A 8 -12.870 1.319 -22.367 1.00 0.00 C ATOM 69 O GLU A 8 -13.388 1.637 -21.296 1.00 0.00 O ATOM 70 CB GLU A 8 -15.066 0.260 -22.928 1.00 0.00 C ATOM 71 CG GLU A 8 -16.048 1.415 -22.812 1.00 0.00 C ATOM 72 CD GLU A 8 -16.634 1.818 -24.151 1.00 0.00 C ATOM 73 OE1 GLU A 8 -16.698 0.959 -25.055 1.00 0.00 O ATOM 74 OE2 GLU A 8 -17.028 2.995 -24.295 1.00 0.00 O ATOM 0 H GLU A 8 -13.328 -1.383 -23.673 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.836 1.401 -24.271 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.492 -0.504 -23.579 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.935 -0.195 -21.946 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.855 1.134 -22.136 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.544 2.273 -22.367 1.00 0.00 H new ATOM 81 N GLU A 9 -11.582 1.511 -22.634 1.00 0.00 N ATOM 82 CA GLU A 9 -10.683 2.119 -21.660 1.00 0.00 C ATOM 83 C GLU A 9 -9.917 3.285 -22.280 1.00 0.00 C ATOM 84 O GLU A 9 -9.665 3.324 -23.484 1.00 0.00 O ATOM 85 CB GLU A 9 -9.700 1.078 -21.120 1.00 0.00 C ATOM 86 CG GLU A 9 -8.754 0.531 -22.175 1.00 0.00 C ATOM 87 CD GLU A 9 -8.141 -0.798 -21.776 1.00 0.00 C ATOM 88 OE1 GLU A 9 -7.649 -0.903 -20.633 1.00 0.00 O ATOM 89 OE2 GLU A 9 -8.152 -1.730 -22.606 1.00 0.00 O ATOM 0 H GLU A 9 -11.138 1.255 -23.516 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.286 2.500 -20.836 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.115 1.525 -20.316 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.262 0.252 -20.684 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.294 0.411 -23.114 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.959 1.254 -22.355 1.00 0.00 H new ATOM 96 N PRO A 10 -9.538 4.258 -21.438 1.00 0.00 N ATOM 97 CA PRO A 10 -8.796 5.442 -21.880 1.00 0.00 C ATOM 98 C PRO A 10 -7.367 5.109 -22.294 1.00 0.00 C ATOM 99 O PRO A 10 -6.583 5.999 -22.626 1.00 0.00 O ATOM 100 CB PRO A 10 -8.798 6.344 -20.643 1.00 0.00 C ATOM 101 CG PRO A 10 -8.949 5.409 -19.493 1.00 0.00 C ATOM 102 CD PRO A 10 -9.804 4.276 -19.990 1.00 0.00 C ATOM 0 HA PRO A 10 -9.247 5.901 -22.760 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.873 6.917 -20.569 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.616 7.063 -20.679 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.978 5.046 -19.155 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.416 5.907 -18.644 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.532 3.331 -19.520 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.859 4.446 -19.777 1.00 0.00 H new ATOM 110 N SER A 11 -7.034 3.823 -22.274 1.00 0.00 N ATOM 111 CA SER A 11 -5.697 3.373 -22.644 1.00 0.00 C ATOM 112 C SER A 11 -4.632 4.127 -21.854 1.00 0.00 C ATOM 113 O SER A 11 -3.608 4.534 -22.402 1.00 0.00 O ATOM 114 CB SER A 11 -5.469 3.567 -24.144 1.00 0.00 C ATOM 115 OG SER A 11 -5.299 4.938 -24.461 1.00 0.00 O ATOM 0 H SER A 11 -7.672 3.074 -22.005 1.00 0.00 H new ATOM 0 HA SER A 11 -5.618 2.312 -22.405 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.588 3.006 -24.457 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.316 3.165 -24.699 1.00 0.00 H new ATOM 0 HG SER A 11 -5.539 5.485 -23.684 1.00 0.00 H new ATOM 121 N GLY A 12 -4.881 4.309 -20.561 1.00 0.00 N ATOM 122 CA GLY A 12 -3.935 5.014 -19.715 1.00 0.00 C ATOM 123 C GLY A 12 -3.926 4.488 -18.293 1.00 0.00 C ATOM 124 O GLY A 12 -4.905 3.899 -17.835 1.00 0.00 O ATOM 0 H GLY A 12 -5.721 3.981 -20.084 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.935 4.923 -20.139 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.182 6.076 -19.705 1.00 0.00 H new ATOM 128 N VAL A 13 -2.816 4.701 -17.593 1.00 0.00 N ATOM 129 CA VAL A 13 -2.683 4.244 -16.215 1.00 0.00 C ATOM 130 C VAL A 13 -3.899 4.640 -15.385 1.00 0.00 C ATOM 131 O VAL A 13 -4.493 3.808 -14.700 1.00 0.00 O ATOM 132 CB VAL A 13 -1.415 4.817 -15.554 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.352 4.420 -14.087 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.171 4.350 -16.295 1.00 0.00 C ATOM 0 H VAL A 13 -1.997 5.187 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.607 3.157 -16.248 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.457 5.905 -15.610 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.450 4.834 -13.637 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.228 4.808 -13.567 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.333 3.333 -14.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.716 4.764 -15.815 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.121 3.261 -16.272 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.215 4.689 -17.330 1.00 0.00 H new ATOM 144 N GLU A 14 -4.264 5.917 -15.451 1.00 0.00 N ATOM 145 CA GLU A 14 -5.409 6.423 -14.705 1.00 0.00 C ATOM 146 C GLU A 14 -6.593 5.466 -14.810 1.00 0.00 C ATOM 147 O GLU A 14 -7.159 5.048 -13.801 1.00 0.00 O ATOM 148 CB GLU A 14 -5.811 7.807 -15.220 1.00 0.00 C ATOM 149 CG GLU A 14 -4.758 8.876 -14.977 1.00 0.00 C ATOM 150 CD GLU A 14 -4.800 9.981 -16.013 1.00 0.00 C ATOM 151 OE1 GLU A 14 -5.670 10.869 -15.898 1.00 0.00 O ATOM 152 OE2 GLU A 14 -3.962 9.958 -16.939 1.00 0.00 O ATOM 0 H GLU A 14 -3.783 6.619 -16.013 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.120 6.503 -13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.012 7.743 -16.289 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.741 8.109 -14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.904 9.306 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.770 8.416 -14.982 1.00 0.00 H new ATOM 159 N GLY A 15 -6.962 5.123 -16.040 1.00 0.00 N ATOM 160 CA GLY A 15 -8.077 4.219 -16.256 1.00 0.00 C ATOM 161 C GLY A 15 -8.183 3.162 -15.174 1.00 0.00 C ATOM 162 O GLY A 15 -9.260 2.934 -14.625 1.00 0.00 O ATOM 0 H GLY A 15 -6.509 5.455 -16.891 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.004 4.792 -16.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.964 3.733 -17.225 1.00 0.00 H new ATOM 166 N ALA A 16 -7.064 2.515 -14.869 1.00 0.00 N ATOM 167 CA ALA A 16 -7.036 1.477 -13.847 1.00 0.00 C ATOM 168 C ALA A 16 -7.864 1.881 -12.632 1.00 0.00 C ATOM 169 O ALA A 16 -8.849 1.225 -12.294 1.00 0.00 O ATOM 170 CB ALA A 16 -5.601 1.179 -13.435 1.00 0.00 C ATOM 0 H ALA A 16 -6.164 2.692 -15.315 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.476 0.574 -14.270 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.596 0.402 -12.671 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.037 0.838 -14.303 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.142 2.083 -13.036 1.00 0.00 H new ATOM 176 N ALA A 17 -7.457 2.964 -11.978 1.00 0.00 N ATOM 177 CA ALA A 17 -8.162 3.456 -10.801 1.00 0.00 C ATOM 178 C ALA A 17 -9.662 3.207 -10.916 1.00 0.00 C ATOM 179 O ALA A 17 -10.333 2.923 -9.923 1.00 0.00 O ATOM 180 CB ALA A 17 -7.885 4.938 -10.601 1.00 0.00 C ATOM 0 H ALA A 17 -6.642 3.517 -12.244 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.795 2.909 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.418 5.292 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.815 5.093 -10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.224 5.493 -11.476 1.00 0.00 H new ATOM 186 N PHE A 18 -10.184 3.317 -12.134 1.00 0.00 N ATOM 187 CA PHE A 18 -11.606 3.105 -12.378 1.00 0.00 C ATOM 188 C PHE A 18 -12.125 1.917 -11.574 1.00 0.00 C ATOM 189 O PHE A 18 -13.012 2.065 -10.733 1.00 0.00 O ATOM 190 CB PHE A 18 -11.860 2.876 -13.869 1.00 0.00 C ATOM 191 CG PHE A 18 -13.288 2.540 -14.189 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.289 3.486 -14.031 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.631 1.279 -14.649 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.604 3.179 -14.324 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.945 0.966 -14.945 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.932 1.918 -14.782 1.00 0.00 C ATOM 0 H PHE A 18 -9.644 3.552 -12.967 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.141 3.999 -12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.574 3.772 -14.420 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.218 2.068 -14.219 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.038 4.474 -13.675 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.863 0.531 -14.778 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.375 3.925 -14.195 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.199 -0.021 -15.303 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.959 1.677 -15.012 1.00 0.00 H new ATOM 206 N GLN A 19 -11.566 0.741 -11.839 1.00 0.00 N ATOM 207 CA GLN A 19 -11.974 -0.473 -11.141 1.00 0.00 C ATOM 208 C GLN A 19 -12.282 -0.181 -9.676 1.00 0.00 C ATOM 209 O GLN A 19 -13.159 -0.805 -9.080 1.00 0.00 O ATOM 210 CB GLN A 19 -10.879 -1.536 -11.242 1.00 0.00 C ATOM 211 CG GLN A 19 -9.657 -1.234 -10.391 1.00 0.00 C ATOM 212 CD GLN A 19 -8.830 -2.471 -10.097 1.00 0.00 C ATOM 213 OE1 GLN A 19 -7.866 -2.769 -10.802 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.204 -3.198 -9.051 1.00 0.00 N ATOM 0 H GLN A 19 -10.830 0.603 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.880 -0.848 -11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.291 -2.500 -10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.572 -1.631 -12.283 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.035 -0.499 -10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.976 -0.783 -9.451 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.010 -2.914 -8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.686 -4.041 -8.804 1.00 0.00 H new ATOM 223 N SER A 20 -11.555 0.772 -9.102 1.00 0.00 N ATOM 224 CA SER A 20 -11.747 1.144 -7.705 1.00 0.00 C ATOM 225 C SER A 20 -12.383 2.527 -7.594 1.00 0.00 C ATOM 226 O SER A 20 -11.949 3.475 -8.248 1.00 0.00 O ATOM 227 CB SER A 20 -10.411 1.123 -6.961 1.00 0.00 C ATOM 228 OG SER A 20 -9.446 1.922 -7.623 1.00 0.00 O ATOM 0 H SER A 20 -10.827 1.301 -9.583 1.00 0.00 H new ATOM 0 HA SER A 20 -12.419 0.416 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.552 1.487 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.049 0.098 -6.886 1.00 0.00 H new ATOM 0 HG SER A 20 -9.892 2.497 -8.279 1.00 0.00 H new ATOM 234 N ARG A 21 -13.413 2.632 -6.761 1.00 0.00 N ATOM 235 CA ARG A 21 -14.110 3.897 -6.564 1.00 0.00 C ATOM 236 C ARG A 21 -13.292 4.837 -5.683 1.00 0.00 C ATOM 237 O ARG A 21 -13.605 5.033 -4.508 1.00 0.00 O ATOM 238 CB ARG A 21 -15.482 3.655 -5.933 1.00 0.00 C ATOM 239 CG ARG A 21 -16.567 3.322 -6.944 1.00 0.00 C ATOM 240 CD ARG A 21 -16.975 4.547 -7.748 1.00 0.00 C ATOM 241 NE ARG A 21 -16.071 4.792 -8.868 1.00 0.00 N ATOM 242 CZ ARG A 21 -15.909 5.983 -9.435 1.00 0.00 C ATOM 243 NH1 ARG A 21 -16.587 7.031 -8.988 1.00 0.00 N ATOM 244 NH2 ARG A 21 -15.067 6.127 -10.451 1.00 0.00 N ATOM 0 H ARG A 21 -13.783 1.856 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.244 4.365 -7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.403 2.839 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.778 4.543 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.210 2.545 -7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.437 2.919 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.989 4.413 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.989 5.420 -7.096 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.534 4.006 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.235 6.924 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.461 7.944 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.543 5.323 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.944 7.042 -10.885 1.00 0.00 H new ATOM 258 N LEU A 22 -12.243 5.415 -6.258 1.00 0.00 N ATOM 259 CA LEU A 22 -11.379 6.334 -5.526 1.00 0.00 C ATOM 260 C LEU A 22 -10.656 7.279 -6.480 1.00 0.00 C ATOM 261 O LEU A 22 -10.321 6.924 -7.610 1.00 0.00 O ATOM 262 CB LEU A 22 -10.360 5.554 -4.694 1.00 0.00 C ATOM 263 CG LEU A 22 -9.309 4.770 -5.481 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.104 5.647 -5.781 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.888 3.525 -4.715 1.00 0.00 C ATOM 0 H LEU A 22 -11.970 5.263 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.005 6.928 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.845 6.255 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.901 4.856 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.750 4.457 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.366 5.073 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.418 6.508 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.662 5.990 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.140 2.980 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.466 3.815 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.757 2.887 -4.552 1.00 0.00 H new ATOM 277 N PRO A 23 -10.408 8.513 -6.016 1.00 0.00 N ATOM 278 CA PRO A 23 -9.719 9.534 -6.811 1.00 0.00 C ATOM 279 C PRO A 23 -8.244 9.209 -7.020 1.00 0.00 C ATOM 280 O PRO A 23 -7.580 8.686 -6.125 1.00 0.00 O ATOM 281 CB PRO A 23 -9.873 10.803 -5.969 1.00 0.00 C ATOM 282 CG PRO A 23 -10.042 10.313 -4.572 1.00 0.00 C ATOM 283 CD PRO A 23 -10.779 9.006 -4.679 1.00 0.00 C ATOM 0 HA PRO A 23 -10.136 9.619 -7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.998 11.447 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.734 11.389 -6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.076 10.178 -4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.603 11.030 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.478 8.310 -3.896 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.856 9.143 -4.586 1.00 0.00 H new ATOM 291 N HIS A 24 -7.737 9.523 -8.208 1.00 0.00 N ATOM 292 CA HIS A 24 -6.338 9.265 -8.534 1.00 0.00 C ATOM 293 C HIS A 24 -5.478 10.490 -8.243 1.00 0.00 C ATOM 294 O HIS A 24 -4.261 10.384 -8.091 1.00 0.00 O ATOM 295 CB HIS A 24 -6.200 8.868 -10.004 1.00 0.00 C ATOM 296 CG HIS A 24 -4.872 9.222 -10.598 1.00 0.00 C ATOM 297 ND1 HIS A 24 -3.673 8.799 -10.066 1.00 0.00 N ATOM 298 CD2 HIS A 24 -4.558 9.964 -11.686 1.00 0.00 C ATOM 299 CE1 HIS A 24 -2.678 9.266 -10.800 1.00 0.00 C ATOM 300 NE2 HIS A 24 -3.189 9.976 -11.790 1.00 0.00 N ATOM 0 H HIS A 24 -8.273 9.956 -8.960 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.991 8.442 -7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.356 7.793 -10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.987 9.355 -10.579 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.255 10.455 -12.349 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.627 9.096 -10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.654 10.455 -12.514 1.00 0.00 H new ATOM 309 N ASP A 25 -6.117 11.652 -8.167 1.00 0.00 N ATOM 310 CA ASP A 25 -5.411 12.898 -7.894 1.00 0.00 C ATOM 311 C ASP A 25 -5.121 13.043 -6.403 1.00 0.00 C ATOM 312 O ASP A 25 -4.132 13.661 -6.010 1.00 0.00 O ATOM 313 CB ASP A 25 -6.229 14.092 -8.386 1.00 0.00 C ATOM 314 CG ASP A 25 -5.679 15.415 -7.890 1.00 0.00 C ATOM 315 OD1 ASP A 25 -6.008 15.804 -6.749 1.00 0.00 O ATOM 316 OD2 ASP A 25 -4.920 16.061 -8.642 1.00 0.00 O ATOM 0 H ASP A 25 -7.124 11.757 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.462 12.873 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.244 14.094 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.261 13.983 -8.053 1.00 0.00 H new ATOM 321 N ARG A 26 -5.992 12.471 -5.578 1.00 0.00 N ATOM 322 CA ARG A 26 -5.831 12.538 -4.131 1.00 0.00 C ATOM 323 C ARG A 26 -5.986 11.157 -3.501 1.00 0.00 C ATOM 324 O ARG A 26 -6.326 10.189 -4.181 1.00 0.00 O ATOM 325 CB ARG A 26 -6.854 13.503 -3.527 1.00 0.00 C ATOM 326 CG ARG A 26 -8.291 13.026 -3.657 1.00 0.00 C ATOM 327 CD ARG A 26 -9.277 14.117 -3.267 1.00 0.00 C ATOM 328 NE ARG A 26 -9.047 14.603 -1.909 1.00 0.00 N ATOM 329 CZ ARG A 26 -9.978 15.201 -1.174 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.196 15.385 -1.664 1.00 0.00 N ATOM 331 NH2 ARG A 26 -9.691 15.615 0.053 1.00 0.00 N ATOM 0 H ARG A 26 -6.816 11.956 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.826 12.904 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.623 13.651 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.757 14.474 -4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.480 12.713 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.444 12.152 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.194 14.948 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.294 13.732 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.120 14.476 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.420 15.067 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.909 15.844 -1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.755 15.474 0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.406 16.074 0.617 1.00 0.00 H new ATOM 345 N MET A 27 -5.735 11.074 -2.199 1.00 0.00 N ATOM 346 CA MET A 27 -5.847 9.811 -1.478 1.00 0.00 C ATOM 347 C MET A 27 -7.150 9.751 -0.687 1.00 0.00 C ATOM 348 O MET A 27 -7.786 10.776 -0.439 1.00 0.00 O ATOM 349 CB MET A 27 -4.656 9.630 -0.536 1.00 0.00 C ATOM 350 CG MET A 27 -3.309 9.801 -1.219 1.00 0.00 C ATOM 351 SD MET A 27 -1.997 10.246 -0.065 1.00 0.00 S ATOM 352 CE MET A 27 -1.907 8.762 0.934 1.00 0.00 C ATOM 0 H MET A 27 -5.453 11.866 -1.621 1.00 0.00 H new ATOM 0 HA MET A 27 -5.849 9.002 -2.209 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.735 10.350 0.279 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.704 8.637 -0.089 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.043 8.874 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.390 10.571 -1.986 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.314 8.960 1.827 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.912 8.459 1.226 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.440 7.963 0.358 1.00 0.00 H new ATOM 362 N THR A 28 -7.543 8.543 -0.294 1.00 0.00 N ATOM 363 CA THR A 28 -8.771 8.349 0.468 1.00 0.00 C ATOM 364 C THR A 28 -8.475 8.176 1.953 1.00 0.00 C ATOM 365 O THR A 28 -7.316 8.093 2.359 1.00 0.00 O ATOM 366 CB THR A 28 -9.556 7.123 -0.035 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.739 5.949 0.052 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.012 7.324 -1.472 1.00 0.00 C ATOM 0 H THR A 28 -7.029 7.684 -0.491 1.00 0.00 H new ATOM 0 HA THR A 28 -9.378 9.243 0.324 1.00 0.00 H new ATOM 0 HB THR A 28 -10.437 7.000 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.370 5.741 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.564 6.445 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.657 8.201 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.142 7.470 -2.113 1.00 0.00 H new ATOM 376 N SER A 29 -9.530 8.120 2.759 1.00 0.00 N ATOM 377 CA SER A 29 -9.383 7.959 4.201 1.00 0.00 C ATOM 378 C SER A 29 -8.462 6.788 4.526 1.00 0.00 C ATOM 379 O SER A 29 -7.713 6.825 5.502 1.00 0.00 O ATOM 380 CB SER A 29 -10.750 7.744 4.854 1.00 0.00 C ATOM 381 OG SER A 29 -11.426 6.644 4.270 1.00 0.00 O ATOM 0 H SER A 29 -10.496 8.184 2.438 1.00 0.00 H new ATOM 0 HA SER A 29 -8.937 8.870 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.623 7.571 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.354 8.645 4.746 1.00 0.00 H new ATOM 0 HG SER A 29 -12.296 6.526 4.705 1.00 0.00 H new ATOM 387 N GLN A 30 -8.523 5.748 3.699 1.00 0.00 N ATOM 388 CA GLN A 30 -7.695 4.565 3.898 1.00 0.00 C ATOM 389 C GLN A 30 -6.236 4.858 3.562 1.00 0.00 C ATOM 390 O GLN A 30 -5.366 4.796 4.430 1.00 0.00 O ATOM 391 CB GLN A 30 -8.206 3.408 3.038 1.00 0.00 C ATOM 392 CG GLN A 30 -9.228 2.531 3.743 1.00 0.00 C ATOM 393 CD GLN A 30 -10.239 1.929 2.787 1.00 0.00 C ATOM 394 OE1 GLN A 30 -10.429 0.713 2.750 1.00 0.00 O ATOM 395 NE2 GLN A 30 -10.895 2.779 2.006 1.00 0.00 N ATOM 0 H GLN A 30 -9.137 5.702 2.886 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.757 4.282 4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.651 3.811 2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.360 2.792 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.711 1.730 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.751 3.122 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.706 3.779 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.588 2.432 1.343 1.00 0.00 H new ATOM 404 N GLU A 31 -5.978 5.177 2.298 1.00 0.00 N ATOM 405 CA GLU A 31 -4.624 5.478 1.848 1.00 0.00 C ATOM 406 C GLU A 31 -3.964 6.508 2.761 1.00 0.00 C ATOM 407 O GLU A 31 -2.773 6.417 3.058 1.00 0.00 O ATOM 408 CB GLU A 31 -4.644 5.995 0.408 1.00 0.00 C ATOM 409 CG GLU A 31 -4.923 4.914 -0.622 1.00 0.00 C ATOM 410 CD GLU A 31 -5.999 3.944 -0.175 1.00 0.00 C ATOM 411 OE1 GLU A 31 -5.735 3.155 0.756 1.00 0.00 O ATOM 412 OE2 GLU A 31 -7.105 3.975 -0.754 1.00 0.00 O ATOM 0 H GLU A 31 -6.688 5.234 1.568 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.042 4.557 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.402 6.773 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.684 6.459 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.227 5.380 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.004 4.363 -0.823 1.00 0.00 H new ATOM 419 N ALA A 32 -4.747 7.487 3.202 1.00 0.00 N ATOM 420 CA ALA A 32 -4.241 8.533 4.081 1.00 0.00 C ATOM 421 C ALA A 32 -3.829 7.962 5.433 1.00 0.00 C ATOM 422 O ALA A 32 -2.819 8.369 6.008 1.00 0.00 O ATOM 423 CB ALA A 32 -5.287 9.623 4.263 1.00 0.00 C ATOM 0 H ALA A 32 -5.735 7.577 2.964 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.357 8.968 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.895 10.397 4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.530 10.060 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.187 9.194 4.703 1.00 0.00 H new ATOM 429 N ALA A 33 -4.617 7.018 5.937 1.00 0.00 N ATOM 430 CA ALA A 33 -4.333 6.390 7.221 1.00 0.00 C ATOM 431 C ALA A 33 -3.126 5.462 7.123 1.00 0.00 C ATOM 432 O ALA A 33 -2.270 5.446 8.009 1.00 0.00 O ATOM 433 CB ALA A 33 -5.551 5.625 7.716 1.00 0.00 C ATOM 0 H ALA A 33 -5.458 6.671 5.475 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.097 7.176 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.324 5.161 8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.389 6.312 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.814 4.853 6.993 1.00 0.00 H new ATOM 439 N CYS A 34 -3.065 4.691 6.044 1.00 0.00 N ATOM 440 CA CYS A 34 -1.964 3.758 5.832 1.00 0.00 C ATOM 441 C CYS A 34 -0.657 4.506 5.589 1.00 0.00 C ATOM 442 O CYS A 34 0.387 4.145 6.132 1.00 0.00 O ATOM 443 CB CYS A 34 -2.267 2.839 4.647 1.00 0.00 C ATOM 444 SG CYS A 34 -3.147 1.325 5.095 1.00 0.00 S ATOM 0 H CYS A 34 -3.765 4.693 5.302 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.854 3.154 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.860 3.389 3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.330 2.571 4.159 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.824 0.375 4.268 1.00 0.00 H new ATOM 450 N PHE A 35 -0.722 5.550 4.769 1.00 0.00 N ATOM 451 CA PHE A 35 0.456 6.348 4.451 1.00 0.00 C ATOM 452 C PHE A 35 0.277 7.791 4.914 1.00 0.00 C ATOM 453 O PHE A 35 -0.184 8.656 4.170 1.00 0.00 O ATOM 454 CB PHE A 35 0.731 6.314 2.947 1.00 0.00 C ATOM 455 CG PHE A 35 0.692 4.931 2.361 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.502 4.233 2.279 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.849 4.330 1.892 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.540 2.960 1.742 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.817 3.058 1.353 1.00 0.00 C ATOM 460 CZ PHE A 35 0.620 2.372 1.277 1.00 0.00 C ATOM 0 H PHE A 35 -1.579 5.863 4.313 1.00 0.00 H new ATOM 0 HA PHE A 35 1.308 5.918 4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.004 6.937 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.710 6.754 2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.413 4.689 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.787 4.862 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.477 2.425 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.726 2.601 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.592 1.378 0.855 1.00 0.00 H new ATOM 470 N PRO A 36 0.649 8.057 6.175 1.00 0.00 N ATOM 471 CA PRO A 36 0.540 9.394 6.767 1.00 0.00 C ATOM 472 C PRO A 36 1.533 10.380 6.161 1.00 0.00 C ATOM 473 O PRO A 36 1.190 11.530 5.884 1.00 0.00 O ATOM 474 CB PRO A 36 0.858 9.155 8.245 1.00 0.00 C ATOM 475 CG PRO A 36 1.700 7.926 8.257 1.00 0.00 C ATOM 476 CD PRO A 36 1.207 7.075 7.119 1.00 0.00 C ATOM 0 HA PRO A 36 -0.441 9.837 6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.389 10.003 8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.052 9.017 8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.754 8.174 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.608 7.399 9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.015 6.499 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.452 6.361 7.449 1.00 0.00 H new ATOM 484 N ASP A 37 2.763 9.923 5.957 1.00 0.00 N ATOM 485 CA ASP A 37 3.806 10.764 5.382 1.00 0.00 C ATOM 486 C ASP A 37 3.397 11.269 4.001 1.00 0.00 C ATOM 487 O ASP A 37 3.697 12.405 3.632 1.00 0.00 O ATOM 488 CB ASP A 37 5.121 9.990 5.286 1.00 0.00 C ATOM 489 CG ASP A 37 5.612 9.514 6.639 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.039 10.364 7.448 1.00 0.00 O ATOM 491 OD2 ASP A 37 5.571 8.290 6.889 1.00 0.00 O ATOM 0 H ASP A 37 3.063 8.974 6.181 1.00 0.00 H new ATOM 0 HA ASP A 37 3.947 11.624 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.987 9.131 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.881 10.625 4.830 1.00 0.00 H new ATOM 496 N ILE A 38 2.712 10.418 3.245 1.00 0.00 N ATOM 497 CA ILE A 38 2.263 10.779 1.906 1.00 0.00 C ATOM 498 C ILE A 38 1.145 11.815 1.961 1.00 0.00 C ATOM 499 O ILE A 38 1.231 12.869 1.331 1.00 0.00 O ATOM 500 CB ILE A 38 1.767 9.546 1.127 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.884 8.507 1.009 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.267 9.955 -0.250 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.096 9.007 0.255 1.00 0.00 C ATOM 0 H ILE A 38 2.456 9.475 3.536 1.00 0.00 H new ATOM 0 HA ILE A 38 3.123 11.204 1.389 1.00 0.00 H new ATOM 0 HB ILE A 38 0.937 9.098 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.190 8.199 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.494 7.621 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.920 9.073 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.444 10.662 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.078 10.424 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.847 8.219 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.804 9.288 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.511 9.875 0.768 1.00 0.00 H new ATOM 515 N ILE A 39 0.099 11.508 2.721 1.00 0.00 N ATOM 516 CA ILE A 39 -1.034 12.414 2.861 1.00 0.00 C ATOM 517 C ILE A 39 -0.612 13.726 3.514 1.00 0.00 C ATOM 518 O ILE A 39 -1.149 14.788 3.201 1.00 0.00 O ATOM 519 CB ILE A 39 -2.163 11.779 3.695 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.372 12.714 3.752 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.668 11.457 5.097 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.214 12.691 2.496 1.00 0.00 C ATOM 0 H ILE A 39 0.013 10.639 3.249 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.404 12.614 1.855 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.470 10.849 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.995 12.437 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.025 13.732 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.477 11.009 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.834 10.757 5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.338 12.374 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.053 13.378 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.606 12.997 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.591 11.682 2.329 1.00 0.00 H new ATOM 534 N SER A 40 0.355 13.644 4.423 1.00 0.00 N ATOM 535 CA SER A 40 0.849 14.824 5.122 1.00 0.00 C ATOM 536 C SER A 40 2.094 15.381 4.436 1.00 0.00 C ATOM 537 O SER A 40 2.976 15.940 5.086 1.00 0.00 O ATOM 538 CB SER A 40 1.165 14.485 6.580 1.00 0.00 C ATOM 539 OG SER A 40 1.053 15.631 7.406 1.00 0.00 O ATOM 0 H SER A 40 0.812 12.772 4.692 1.00 0.00 H new ATOM 0 HA SER A 40 0.069 15.585 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.483 13.711 6.933 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.174 14.078 6.652 1.00 0.00 H new ATOM 0 HG SER A 40 1.258 15.388 8.333 1.00 0.00 H new ATOM 545 N GLY A 41 2.156 15.222 3.118 1.00 0.00 N ATOM 546 CA GLY A 41 3.296 15.712 2.365 1.00 0.00 C ATOM 547 C GLY A 41 2.892 16.660 1.253 1.00 0.00 C ATOM 548 O GLY A 41 1.709 16.911 1.022 1.00 0.00 O ATOM 0 H GLY A 41 1.438 14.763 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.982 16.222 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.837 14.867 1.939 1.00 0.00 H new ATOM 552 N PRO A 42 3.890 17.204 0.542 1.00 0.00 N ATOM 553 CA PRO A 42 3.657 18.139 -0.563 1.00 0.00 C ATOM 554 C PRO A 42 3.034 17.457 -1.777 1.00 0.00 C ATOM 555 O PRO A 42 3.300 16.287 -2.047 1.00 0.00 O ATOM 556 CB PRO A 42 5.061 18.649 -0.899 1.00 0.00 C ATOM 557 CG PRO A 42 5.976 17.564 -0.446 1.00 0.00 C ATOM 558 CD PRO A 42 5.324 16.949 0.762 1.00 0.00 C ATOM 0 HA PRO A 42 2.957 18.928 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.169 18.838 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.275 19.587 -0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.120 16.822 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.960 17.962 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.536 15.882 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.677 17.407 1.686 1.00 0.00 H new ATOM 566 N GLN A 43 2.204 18.198 -2.505 1.00 0.00 N ATOM 567 CA GLN A 43 1.543 17.664 -3.689 1.00 0.00 C ATOM 568 C GLN A 43 2.450 16.682 -4.423 1.00 0.00 C ATOM 569 O GLN A 43 2.030 15.581 -4.776 1.00 0.00 O ATOM 570 CB GLN A 43 1.138 18.801 -4.629 1.00 0.00 C ATOM 571 CG GLN A 43 0.274 18.347 -5.795 1.00 0.00 C ATOM 572 CD GLN A 43 -0.507 19.486 -6.421 1.00 0.00 C ATOM 573 OE1 GLN A 43 -1.619 19.800 -5.994 1.00 0.00 O ATOM 574 NE2 GLN A 43 0.072 20.113 -7.438 1.00 0.00 N ATOM 0 H GLN A 43 1.974 19.169 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 43 0.648 17.132 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.597 19.557 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.038 19.278 -5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.907 17.886 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.421 17.581 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.995 19.820 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.406 20.888 -7.898 1.00 0.00 H new ATOM 583 N GLN A 44 3.696 17.088 -4.647 1.00 0.00 N ATOM 584 CA GLN A 44 4.662 16.243 -5.339 1.00 0.00 C ATOM 585 C GLN A 44 4.655 14.829 -4.769 1.00 0.00 C ATOM 586 O GLN A 44 4.336 13.867 -5.468 1.00 0.00 O ATOM 587 CB GLN A 44 6.065 16.843 -5.232 1.00 0.00 C ATOM 588 CG GLN A 44 7.072 16.206 -6.175 1.00 0.00 C ATOM 589 CD GLN A 44 8.507 16.502 -5.783 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.763 17.219 -4.816 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.452 15.949 -6.535 1.00 0.00 N ATOM 0 H GLN A 44 4.060 17.996 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 44 4.376 16.192 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.011 17.912 -5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.420 16.735 -4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.918 15.127 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.894 16.567 -7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.194 15.361 -7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.436 16.112 -6.320 1.00 0.00 H new ATOM 600 N THR A 45 5.010 14.709 -3.493 1.00 0.00 N ATOM 601 CA THR A 45 5.047 13.412 -2.829 1.00 0.00 C ATOM 602 C THR A 45 3.742 12.652 -3.036 1.00 0.00 C ATOM 603 O THR A 45 3.745 11.511 -3.498 1.00 0.00 O ATOM 604 CB THR A 45 5.306 13.562 -1.318 1.00 0.00 C ATOM 605 OG1 THR A 45 6.661 13.968 -1.092 1.00 0.00 O ATOM 606 CG2 THR A 45 5.035 12.255 -0.590 1.00 0.00 C ATOM 0 H THR A 45 5.276 15.495 -2.899 1.00 0.00 H new ATOM 0 HA THR A 45 5.867 12.850 -3.277 1.00 0.00 H new ATOM 0 HB THR A 45 4.629 14.323 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.818 14.063 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.225 12.386 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.995 11.964 -0.740 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.690 11.477 -0.982 1.00 0.00 H new ATOM 614 N GLN A 46 2.629 13.291 -2.691 1.00 0.00 N ATOM 615 CA GLN A 46 1.317 12.673 -2.840 1.00 0.00 C ATOM 616 C GLN A 46 1.159 12.056 -4.226 1.00 0.00 C ATOM 617 O GLN A 46 0.691 10.926 -4.365 1.00 0.00 O ATOM 618 CB GLN A 46 0.213 13.704 -2.599 1.00 0.00 C ATOM 619 CG GLN A 46 0.074 14.117 -1.142 1.00 0.00 C ATOM 620 CD GLN A 46 -1.087 15.064 -0.913 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.742 15.504 -1.859 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.350 15.385 0.348 1.00 0.00 N ATOM 0 H GLN A 46 2.610 14.236 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 46 1.232 11.880 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.416 14.589 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.736 13.295 -2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.061 13.227 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.997 14.594 -0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.782 14.998 1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.120 16.019 0.563 1.00 0.00 H new ATOM 631 N LYS A 47 1.552 12.806 -5.250 1.00 0.00 N ATOM 632 CA LYS A 47 1.456 12.335 -6.626 1.00 0.00 C ATOM 633 C LYS A 47 2.335 11.107 -6.843 1.00 0.00 C ATOM 634 O LYS A 47 1.888 10.101 -7.395 1.00 0.00 O ATOM 635 CB LYS A 47 1.863 13.445 -7.597 1.00 0.00 C ATOM 636 CG LYS A 47 0.883 14.604 -7.642 1.00 0.00 C ATOM 637 CD LYS A 47 1.274 15.625 -8.697 1.00 0.00 C ATOM 638 CE LYS A 47 2.505 16.414 -8.280 1.00 0.00 C ATOM 639 NZ LYS A 47 3.764 15.761 -8.736 1.00 0.00 N ATOM 0 H LYS A 47 1.941 13.744 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 47 0.420 12.057 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.846 13.822 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.960 13.023 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.118 14.227 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.843 15.086 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.469 15.117 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.443 16.309 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.448 17.421 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.521 16.515 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.431 16.487 -9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.188 15.235 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.552 15.105 -9.515 1.00 0.00 H new ATOM 653 N VAL A 48 3.586 11.196 -6.404 1.00 0.00 N ATOM 654 CA VAL A 48 4.527 10.091 -6.548 1.00 0.00 C ATOM 655 C VAL A 48 3.916 8.782 -6.062 1.00 0.00 C ATOM 656 O VAL A 48 4.068 7.739 -6.699 1.00 0.00 O ATOM 657 CB VAL A 48 5.829 10.357 -5.769 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.761 9.158 -5.860 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.512 11.614 -6.287 1.00 0.00 C ATOM 0 H VAL A 48 3.972 12.022 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 48 4.758 10.009 -7.610 1.00 0.00 H new ATOM 0 HB VAL A 48 5.579 10.513 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.675 9.365 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.269 8.282 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.007 8.967 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.430 11.787 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.751 11.489 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.845 12.467 -6.164 1.00 0.00 H new ATOM 669 N PHE A 49 3.223 8.843 -4.930 1.00 0.00 N ATOM 670 CA PHE A 49 2.588 7.661 -4.357 1.00 0.00 C ATOM 671 C PHE A 49 1.329 7.290 -5.134 1.00 0.00 C ATOM 672 O PHE A 49 1.123 6.128 -5.486 1.00 0.00 O ATOM 673 CB PHE A 49 2.241 7.905 -2.887 1.00 0.00 C ATOM 674 CG PHE A 49 1.073 7.094 -2.404 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.225 7.484 -2.693 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.272 5.941 -1.662 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.303 6.740 -2.251 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.199 5.192 -1.218 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.090 5.593 -1.512 1.00 0.00 C ATOM 0 H PHE A 49 3.087 9.698 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 49 3.292 6.832 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.112 7.674 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.022 8.963 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.396 8.380 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.278 5.624 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.310 7.055 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.368 4.294 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.930 5.010 -1.164 1.00 0.00 H new ATOM 689 N LEU A 50 0.489 8.285 -5.398 1.00 0.00 N ATOM 690 CA LEU A 50 -0.751 8.064 -6.133 1.00 0.00 C ATOM 691 C LEU A 50 -0.470 7.470 -7.509 1.00 0.00 C ATOM 692 O LEU A 50 -1.379 6.986 -8.186 1.00 0.00 O ATOM 693 CB LEU A 50 -1.521 9.378 -6.280 1.00 0.00 C ATOM 694 CG LEU A 50 -2.316 9.831 -5.055 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.802 11.261 -5.233 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.488 8.894 -4.804 1.00 0.00 C ATOM 0 H LEU A 50 0.644 9.252 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.357 7.356 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.812 10.164 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.210 9.280 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.659 9.799 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.366 11.566 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.946 11.923 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.443 11.321 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.043 9.232 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.146 8.894 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.116 7.884 -4.631 1.00 0.00 H new ATOM 708 N PHE A 51 0.794 7.507 -7.918 1.00 0.00 N ATOM 709 CA PHE A 51 1.195 6.971 -9.213 1.00 0.00 C ATOM 710 C PHE A 51 1.702 5.538 -9.075 1.00 0.00 C ATOM 711 O PHE A 51 1.408 4.682 -9.910 1.00 0.00 O ATOM 712 CB PHE A 51 2.280 7.850 -9.838 1.00 0.00 C ATOM 713 CG PHE A 51 2.807 7.317 -11.140 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.615 6.192 -11.168 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.493 7.941 -12.337 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.101 5.699 -12.364 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.976 7.453 -13.536 1.00 0.00 C ATOM 718 CZ PHE A 51 3.781 6.331 -13.550 1.00 0.00 C ATOM 0 H PHE A 51 1.558 7.903 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 51 0.321 6.967 -9.864 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.878 8.850 -10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.106 7.949 -9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.868 5.694 -10.244 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.864 8.819 -12.333 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.730 4.821 -12.372 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.724 7.949 -14.462 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.160 5.948 -14.486 1.00 0.00 H new ATOM 728 N ILE A 52 2.464 5.286 -8.017 1.00 0.00 N ATOM 729 CA ILE A 52 3.011 3.958 -7.769 1.00 0.00 C ATOM 730 C ILE A 52 1.900 2.929 -7.596 1.00 0.00 C ATOM 731 O ILE A 52 2.020 1.789 -8.044 1.00 0.00 O ATOM 732 CB ILE A 52 3.909 3.943 -6.517 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.091 4.897 -6.699 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.399 2.531 -6.234 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.649 5.423 -5.396 1.00 0.00 C ATOM 0 H ILE A 52 2.717 5.984 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 52 3.612 3.697 -8.640 1.00 0.00 H new ATOM 0 HB ILE A 52 3.322 4.281 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.883 4.382 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.777 5.739 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.032 2.537 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.544 1.876 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.972 2.167 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.484 6.093 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.871 5.967 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.995 4.589 -4.785 1.00 0.00 H new ATOM 747 N ARG A 53 0.816 3.340 -6.945 1.00 0.00 N ATOM 748 CA ARG A 53 -0.318 2.454 -6.713 1.00 0.00 C ATOM 749 C ARG A 53 -0.998 2.086 -8.029 1.00 0.00 C ATOM 750 O ARG A 53 -1.083 0.913 -8.388 1.00 0.00 O ATOM 751 CB ARG A 53 -1.327 3.117 -5.773 1.00 0.00 C ATOM 752 CG ARG A 53 -2.642 2.364 -5.662 1.00 0.00 C ATOM 753 CD ARG A 53 -3.802 3.307 -5.385 1.00 0.00 C ATOM 754 NE ARG A 53 -4.380 3.840 -6.616 1.00 0.00 N ATOM 755 CZ ARG A 53 -5.011 5.007 -6.686 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.144 5.759 -5.602 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.510 5.424 -7.843 1.00 0.00 N ATOM 0 H ARG A 53 0.700 4.281 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 53 0.055 1.541 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.883 3.205 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.526 4.130 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.829 1.817 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.573 1.625 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.572 2.779 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.458 4.131 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.295 3.286 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.761 5.442 -4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.629 6.655 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.409 4.848 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.994 6.320 -7.896 1.00 0.00 H new ATOM 771 N ASN A 54 -1.481 3.098 -8.742 1.00 0.00 N ATOM 772 CA ASN A 54 -2.155 2.881 -10.017 1.00 0.00 C ATOM 773 C ASN A 54 -1.403 1.859 -10.863 1.00 0.00 C ATOM 774 O ASN A 54 -1.969 0.851 -11.287 1.00 0.00 O ATOM 775 CB ASN A 54 -2.280 4.200 -10.783 1.00 0.00 C ATOM 776 CG ASN A 54 -3.569 4.933 -10.465 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.661 4.384 -10.611 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.447 6.181 -10.027 1.00 0.00 N ATOM 0 H ASN A 54 -1.418 4.076 -8.459 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.152 2.492 -9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.432 4.840 -10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.233 4.001 -11.854 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.279 6.724 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.521 6.596 -9.921 1.00 0.00 H new ATOM 785 N ARG A 55 -0.123 2.125 -11.104 1.00 0.00 N ATOM 786 CA ARG A 55 0.707 1.229 -11.900 1.00 0.00 C ATOM 787 C ARG A 55 0.651 -0.194 -11.352 1.00 0.00 C ATOM 788 O ARG A 55 0.366 -1.143 -12.083 1.00 0.00 O ATOM 789 CB ARG A 55 2.155 1.723 -11.919 1.00 0.00 C ATOM 790 CG ARG A 55 2.464 2.658 -13.077 1.00 0.00 C ATOM 791 CD ARG A 55 2.729 1.887 -14.360 1.00 0.00 C ATOM 792 NE ARG A 55 4.008 1.184 -14.323 1.00 0.00 N ATOM 793 CZ ARG A 55 4.687 0.835 -15.409 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.212 1.123 -16.613 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.845 0.197 -15.294 1.00 0.00 N ATOM 0 H ARG A 55 0.361 2.954 -10.759 1.00 0.00 H new ATOM 0 HA ARG A 55 0.319 1.223 -12.918 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.367 2.237 -10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.823 0.863 -11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.628 3.341 -13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.333 3.268 -12.832 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.926 1.169 -14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.718 2.575 -15.205 1.00 0.00 H new ATOM 0 HE ARG A 55 4.402 0.948 -13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.323 1.614 -16.706 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.736 0.854 -17.446 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.215 -0.026 -14.370 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.365 -0.070 -16.130 1.00 0.00 H new ATOM 809 N THR A 56 0.925 -0.336 -10.059 1.00 0.00 N ATOM 810 CA THR A 56 0.908 -1.642 -9.412 1.00 0.00 C ATOM 811 C THR A 56 -0.281 -2.472 -9.882 1.00 0.00 C ATOM 812 O THR A 56 -0.169 -3.684 -10.071 1.00 0.00 O ATOM 813 CB THR A 56 0.854 -1.509 -7.879 1.00 0.00 C ATOM 814 OG1 THR A 56 1.957 -0.723 -7.415 1.00 0.00 O ATOM 815 CG2 THR A 56 0.885 -2.878 -7.216 1.00 0.00 C ATOM 0 H THR A 56 1.162 0.438 -9.439 1.00 0.00 H new ATOM 0 HA THR A 56 1.833 -2.146 -9.692 1.00 0.00 H new ATOM 0 HB THR A 56 -0.080 -1.015 -7.612 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.751 0.228 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.846 -2.759 -6.133 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.027 -3.463 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.804 -3.395 -7.491 1.00 0.00 H new ATOM 823 N LEU A 57 -1.419 -1.813 -10.069 1.00 0.00 N ATOM 824 CA LEU A 57 -2.631 -2.491 -10.518 1.00 0.00 C ATOM 825 C LEU A 57 -2.627 -2.666 -12.033 1.00 0.00 C ATOM 826 O LEU A 57 -3.059 -3.697 -12.549 1.00 0.00 O ATOM 827 CB LEU A 57 -3.869 -1.702 -10.088 1.00 0.00 C ATOM 828 CG LEU A 57 -4.358 -1.948 -8.660 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.287 -0.829 -8.215 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.057 -3.296 -8.560 1.00 0.00 C ATOM 0 H LEU A 57 -1.528 -0.810 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.658 -3.478 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.655 -0.639 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.682 -1.937 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.493 -1.960 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.625 -1.020 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.754 0.121 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.149 -0.785 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.398 -3.454 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.913 -3.313 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.361 -4.088 -8.837 1.00 0.00 H new ATOM 842 N GLN A 58 -2.134 -1.654 -12.740 1.00 0.00 N ATOM 843 CA GLN A 58 -2.073 -1.698 -14.196 1.00 0.00 C ATOM 844 C GLN A 58 -1.323 -2.938 -14.672 1.00 0.00 C ATOM 845 O GLN A 58 -1.897 -3.811 -15.323 1.00 0.00 O ATOM 846 CB GLN A 58 -1.395 -0.438 -14.737 1.00 0.00 C ATOM 847 CG GLN A 58 -2.357 0.712 -14.987 1.00 0.00 C ATOM 848 CD GLN A 58 -3.202 0.507 -16.229 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.387 0.185 -16.142 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.594 0.693 -17.395 1.00 0.00 N ATOM 0 H GLN A 58 -1.771 -0.794 -12.328 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.093 -1.745 -14.576 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.631 -0.114 -14.030 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.884 -0.682 -15.668 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.011 0.828 -14.123 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.792 1.639 -15.086 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.610 0.960 -17.420 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.111 0.569 -18.265 1.00 0.00 H new ATOM 859 N LEU A 59 -0.038 -3.008 -14.343 1.00 0.00 N ATOM 860 CA LEU A 59 0.792 -4.142 -14.737 1.00 0.00 C ATOM 861 C LEU A 59 0.119 -5.461 -14.373 1.00 0.00 C ATOM 862 O LEU A 59 0.315 -6.475 -15.044 1.00 0.00 O ATOM 863 CB LEU A 59 2.163 -4.053 -14.067 1.00 0.00 C ATOM 864 CG LEU A 59 2.904 -2.724 -14.226 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.950 -2.562 -13.134 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.548 -2.635 -15.602 1.00 0.00 C ATOM 0 H LEU A 59 0.452 -2.294 -13.805 1.00 0.00 H new ATOM 0 HA LEU A 59 0.921 -4.108 -15.819 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.038 -4.251 -13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.793 -4.847 -14.467 1.00 0.00 H new ATOM 0 HG LEU A 59 2.182 -1.913 -14.131 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.467 -1.611 -13.263 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.464 -2.581 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.670 -3.378 -13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.071 -1.683 -15.698 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.258 -3.453 -15.725 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.777 -2.705 -16.370 1.00 0.00 H new ATOM 878 N TRP A 60 -0.674 -5.441 -13.308 1.00 0.00 N ATOM 879 CA TRP A 60 -1.378 -6.636 -12.856 1.00 0.00 C ATOM 880 C TRP A 60 -2.563 -6.945 -13.764 1.00 0.00 C ATOM 881 O TRP A 60 -2.825 -8.105 -14.086 1.00 0.00 O ATOM 882 CB TRP A 60 -1.856 -6.456 -11.415 1.00 0.00 C ATOM 883 CG TRP A 60 -3.098 -7.235 -11.099 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.384 -6.776 -11.134 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.170 -8.607 -10.700 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.251 -7.781 -10.780 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.531 -8.915 -10.510 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.217 -9.607 -10.486 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -4.960 -10.180 -10.115 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.644 -10.862 -10.095 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.006 -11.140 -9.913 1.00 0.00 C ATOM 0 H TRP A 60 -0.846 -4.611 -12.741 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.684 -7.475 -12.898 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.061 -6.762 -10.735 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.043 -5.398 -11.231 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.676 -5.771 -11.401 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.266 -7.697 -10.727 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.166 -9.403 -10.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.009 -10.396 -9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.916 -11.642 -9.927 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.308 -12.131 -9.608 1.00 0.00 H new ATOM 902 N LEU A 61 -3.278 -5.903 -14.173 1.00 0.00 N ATOM 903 CA LEU A 61 -4.437 -6.064 -15.044 1.00 0.00 C ATOM 904 C LEU A 61 -4.014 -6.542 -16.429 1.00 0.00 C ATOM 905 O LEU A 61 -4.837 -7.021 -17.210 1.00 0.00 O ATOM 906 CB LEU A 61 -5.201 -4.744 -15.159 1.00 0.00 C ATOM 907 CG LEU A 61 -6.287 -4.504 -14.110 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.892 -3.118 -14.276 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.366 -5.573 -14.206 1.00 0.00 C ATOM 0 H LEU A 61 -3.075 -4.937 -13.915 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.090 -6.817 -14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.483 -3.926 -15.104 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.661 -4.698 -16.146 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.831 -4.563 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.663 -2.965 -13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.113 -2.365 -14.158 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.334 -3.030 -15.269 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.131 -5.387 -13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.819 -5.545 -15.197 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.922 -6.554 -14.038 1.00 0.00 H new ATOM 921 N ASP A 62 -2.726 -6.411 -16.727 1.00 0.00 N ATOM 922 CA ASP A 62 -2.193 -6.833 -18.017 1.00 0.00 C ATOM 923 C ASP A 62 -1.717 -8.281 -17.961 1.00 0.00 C ATOM 924 O ASP A 62 -1.827 -9.019 -18.939 1.00 0.00 O ATOM 925 CB ASP A 62 -1.040 -5.920 -18.440 1.00 0.00 C ATOM 926 CG ASP A 62 -0.423 -6.340 -19.759 1.00 0.00 C ATOM 927 OD1 ASP A 62 -0.982 -5.982 -20.816 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.619 -7.029 -19.734 1.00 0.00 O ATOM 0 H ASP A 62 -2.032 -6.016 -16.093 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.993 -6.761 -18.754 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.403 -4.895 -18.522 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.273 -5.925 -17.665 1.00 0.00 H new ATOM 933 N ASN A 63 -1.186 -8.680 -16.810 1.00 0.00 N ATOM 934 CA ASN A 63 -0.691 -10.040 -16.627 1.00 0.00 C ATOM 935 C ASN A 63 -1.173 -10.620 -15.301 1.00 0.00 C ATOM 936 O ASN A 63 -0.388 -11.102 -14.484 1.00 0.00 O ATOM 937 CB ASN A 63 0.838 -10.060 -16.680 1.00 0.00 C ATOM 938 CG ASN A 63 1.381 -11.372 -17.214 1.00 0.00 C ATOM 939 OD1 ASN A 63 0.694 -12.091 -17.940 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.619 -11.689 -16.856 1.00 0.00 N ATOM 0 H ASN A 63 -1.087 -8.081 -15.990 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.084 -10.655 -17.437 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.188 -9.242 -17.310 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.236 -9.885 -15.680 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.038 -12.559 -17.184 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.152 -11.063 -16.252 1.00 0.00 H new ATOM 947 N PRO A 64 -2.495 -10.575 -15.081 1.00 0.00 N ATOM 948 CA PRO A 64 -3.112 -11.093 -13.856 1.00 0.00 C ATOM 949 C PRO A 64 -3.052 -12.614 -13.775 1.00 0.00 C ATOM 950 O PRO A 64 -3.576 -13.218 -12.838 1.00 0.00 O ATOM 951 CB PRO A 64 -4.564 -10.620 -13.963 1.00 0.00 C ATOM 952 CG PRO A 64 -4.803 -10.456 -15.425 1.00 0.00 C ATOM 953 CD PRO A 64 -3.490 -10.015 -16.011 1.00 0.00 C ATOM 0 HA PRO A 64 -2.599 -10.741 -12.961 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.250 -11.347 -13.529 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.715 -9.682 -13.430 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.136 -11.392 -15.874 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.582 -9.717 -15.613 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.353 -10.397 -17.023 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.420 -8.929 -16.068 1.00 0.00 H new ATOM 961 N LYS A 65 -2.410 -13.230 -14.762 1.00 0.00 N ATOM 962 CA LYS A 65 -2.279 -14.681 -14.803 1.00 0.00 C ATOM 963 C LYS A 65 -1.162 -15.153 -13.878 1.00 0.00 C ATOM 964 O LYS A 65 -1.084 -16.333 -13.534 1.00 0.00 O ATOM 965 CB LYS A 65 -2.004 -15.149 -16.234 1.00 0.00 C ATOM 966 CG LYS A 65 -0.870 -14.399 -16.911 1.00 0.00 C ATOM 967 CD LYS A 65 -0.129 -15.283 -17.900 1.00 0.00 C ATOM 968 CE LYS A 65 -0.967 -15.556 -19.140 1.00 0.00 C ATOM 969 NZ LYS A 65 -1.042 -14.366 -20.032 1.00 0.00 N ATOM 0 H LYS A 65 -1.972 -12.746 -15.545 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.218 -15.115 -14.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.768 -16.213 -16.220 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.911 -15.031 -16.827 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.268 -13.526 -17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.174 -14.032 -16.157 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.806 -14.803 -18.190 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.133 -16.227 -17.421 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.540 -16.395 -19.689 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.973 -15.850 -18.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.520 -14.626 -20.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.578 -13.611 -19.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.081 -14.029 -20.243 1.00 0.00 H new ATOM 983 N ILE A 66 -0.300 -14.224 -13.478 1.00 0.00 N ATOM 984 CA ILE A 66 0.812 -14.545 -12.591 1.00 0.00 C ATOM 985 C ILE A 66 0.868 -13.583 -11.410 1.00 0.00 C ATOM 986 O ILE A 66 0.378 -12.457 -11.491 1.00 0.00 O ATOM 987 CB ILE A 66 2.158 -14.503 -13.338 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.536 -13.059 -13.673 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.089 -15.345 -14.603 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.961 -12.903 -14.155 1.00 0.00 C ATOM 0 H ILE A 66 -0.350 -13.243 -13.754 1.00 0.00 H new ATOM 0 HA ILE A 66 0.641 -15.557 -12.224 1.00 0.00 H new ATOM 0 HB ILE A 66 2.929 -14.919 -12.690 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.859 -12.683 -14.440 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.391 -12.439 -12.788 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.048 -15.305 -15.120 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.861 -16.378 -14.340 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.308 -14.956 -15.257 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.158 -11.854 -14.374 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.647 -13.248 -13.381 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.106 -13.495 -15.058 1.00 0.00 H new ATOM 1002 N GLN A 67 1.470 -14.034 -10.314 1.00 0.00 N ATOM 1003 CA GLN A 67 1.592 -13.211 -9.116 1.00 0.00 C ATOM 1004 C GLN A 67 2.529 -12.033 -9.358 1.00 0.00 C ATOM 1005 O GLN A 67 3.594 -12.185 -9.958 1.00 0.00 O ATOM 1006 CB GLN A 67 2.102 -14.052 -7.945 1.00 0.00 C ATOM 1007 CG GLN A 67 3.600 -14.309 -7.987 1.00 0.00 C ATOM 1008 CD GLN A 67 4.042 -14.972 -9.277 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.645 -16.099 -9.577 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.867 -14.275 -10.049 1.00 0.00 N ATOM 0 H GLN A 67 1.881 -14.964 -10.231 1.00 0.00 H new ATOM 0 HA GLN A 67 0.604 -12.821 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.854 -13.547 -7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.578 -15.008 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.130 -13.364 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.880 -14.940 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.171 -13.345 -9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.197 -14.670 -10.930 1.00 0.00 H new ATOM 1019 N LEU A 68 2.125 -10.857 -8.888 1.00 0.00 N ATOM 1020 CA LEU A 68 2.929 -9.651 -9.053 1.00 0.00 C ATOM 1021 C LEU A 68 3.774 -9.385 -7.812 1.00 0.00 C ATOM 1022 O LEU A 68 3.297 -8.810 -6.833 1.00 0.00 O ATOM 1023 CB LEU A 68 2.027 -8.448 -9.337 1.00 0.00 C ATOM 1024 CG LEU A 68 2.729 -7.188 -9.844 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.329 -7.428 -11.221 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.760 -6.016 -9.880 1.00 0.00 C ATOM 0 H LEU A 68 1.246 -10.713 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 68 3.599 -9.804 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.280 -8.745 -10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.490 -8.198 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 68 3.538 -6.944 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.824 -6.520 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.055 -8.239 -11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.538 -7.697 -11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.277 -5.128 -10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.930 -6.251 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.378 -5.829 -8.876 1.00 0.00 H new ATOM 1038 N THR A 69 5.034 -9.806 -7.859 1.00 0.00 N ATOM 1039 CA THR A 69 5.947 -9.613 -6.739 1.00 0.00 C ATOM 1040 C THR A 69 6.314 -8.143 -6.576 1.00 0.00 C ATOM 1041 O THR A 69 5.964 -7.309 -7.411 1.00 0.00 O ATOM 1042 CB THR A 69 7.237 -10.436 -6.917 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.011 -9.906 -7.999 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.913 -11.898 -7.187 1.00 0.00 C ATOM 0 H THR A 69 5.446 -10.283 -8.661 1.00 0.00 H new ATOM 0 HA THR A 69 5.427 -9.956 -5.845 1.00 0.00 H new ATOM 0 HB THR A 69 7.813 -10.372 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.830 -10.434 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.839 -12.459 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.349 -12.307 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.318 -11.977 -8.097 1.00 0.00 H new ATOM 1052 N PHE A 70 7.022 -7.831 -5.495 1.00 0.00 N ATOM 1053 CA PHE A 70 7.436 -6.460 -5.223 1.00 0.00 C ATOM 1054 C PHE A 70 8.528 -6.018 -6.193 1.00 0.00 C ATOM 1055 O PHE A 70 8.507 -4.896 -6.698 1.00 0.00 O ATOM 1056 CB PHE A 70 7.938 -6.333 -3.782 1.00 0.00 C ATOM 1057 CG PHE A 70 8.828 -5.144 -3.560 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.290 -3.912 -3.224 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.203 -5.258 -3.687 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.107 -2.816 -3.020 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.025 -4.166 -3.483 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.477 -2.943 -3.148 1.00 0.00 C ATOM 0 H PHE A 70 7.321 -8.509 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 70 6.570 -5.812 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.081 -6.265 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.482 -7.239 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.220 -3.807 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.638 -6.212 -3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.675 -1.861 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.095 -4.269 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.118 -2.089 -2.987 1.00 0.00 H new ATOM 1072 N GLU A 71 9.480 -6.910 -6.449 1.00 0.00 N ATOM 1073 CA GLU A 71 10.580 -6.612 -7.358 1.00 0.00 C ATOM 1074 C GLU A 71 10.056 -6.206 -8.733 1.00 0.00 C ATOM 1075 O GLU A 71 10.316 -5.100 -9.206 1.00 0.00 O ATOM 1076 CB GLU A 71 11.505 -7.824 -7.491 1.00 0.00 C ATOM 1077 CG GLU A 71 12.631 -7.845 -6.472 1.00 0.00 C ATOM 1078 CD GLU A 71 13.768 -8.763 -6.878 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.268 -8.622 -8.013 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.157 -9.622 -6.059 1.00 0.00 O ATOM 0 H GLU A 71 9.511 -7.844 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 71 11.144 -5.777 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.915 -8.734 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.933 -7.835 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.015 -6.834 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.237 -8.165 -5.507 1.00 0.00 H new ATOM 1087 N ALA A 72 9.317 -7.109 -9.368 1.00 0.00 N ATOM 1088 CA ALA A 72 8.755 -6.845 -10.687 1.00 0.00 C ATOM 1089 C ALA A 72 8.126 -5.457 -10.748 1.00 0.00 C ATOM 1090 O ALA A 72 8.531 -4.615 -11.550 1.00 0.00 O ATOM 1091 CB ALA A 72 7.727 -7.908 -11.045 1.00 0.00 C ATOM 0 H ALA A 72 9.093 -8.030 -8.991 1.00 0.00 H new ATOM 0 HA ALA A 72 9.566 -6.880 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.316 -7.698 -12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.204 -8.888 -11.051 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.924 -7.900 -10.308 1.00 0.00 H new ATOM 1097 N THR A 73 7.133 -5.224 -9.896 1.00 0.00 N ATOM 1098 CA THR A 73 6.447 -3.939 -9.854 1.00 0.00 C ATOM 1099 C THR A 73 7.442 -2.785 -9.816 1.00 0.00 C ATOM 1100 O THR A 73 7.248 -1.762 -10.473 1.00 0.00 O ATOM 1101 CB THR A 73 5.515 -3.839 -8.632 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.558 -4.904 -8.656 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.792 -2.501 -8.611 1.00 0.00 C ATOM 0 H THR A 73 6.786 -5.909 -9.225 1.00 0.00 H new ATOM 0 HA THR A 73 5.850 -3.870 -10.763 1.00 0.00 H new ATOM 0 HB THR A 73 6.124 -3.919 -7.731 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.945 -5.701 -8.238 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.140 -2.454 -7.739 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.522 -1.693 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.195 -2.396 -9.517 1.00 0.00 H new ATOM 1111 N LEU A 74 8.510 -2.957 -9.044 1.00 0.00 N ATOM 1112 CA LEU A 74 9.538 -1.929 -8.921 1.00 0.00 C ATOM 1113 C LEU A 74 10.293 -1.754 -10.235 1.00 0.00 C ATOM 1114 O LEU A 74 10.385 -0.647 -10.766 1.00 0.00 O ATOM 1115 CB LEU A 74 10.516 -2.289 -7.802 1.00 0.00 C ATOM 1116 CG LEU A 74 11.816 -1.486 -7.762 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.655 -0.251 -6.890 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.962 -2.351 -7.258 1.00 0.00 C ATOM 0 H LEU A 74 8.686 -3.798 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 74 9.047 -0.987 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.006 -2.164 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.768 -3.346 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 74 12.051 -1.161 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.591 0.308 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.863 0.379 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.395 -0.553 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.879 -1.763 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.735 -2.706 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.094 -3.204 -7.923 1.00 0.00 H new ATOM 1130 N GLN A 75 10.829 -2.854 -10.755 1.00 0.00 N ATOM 1131 CA GLN A 75 11.574 -2.821 -12.007 1.00 0.00 C ATOM 1132 C GLN A 75 10.780 -2.105 -13.095 1.00 0.00 C ATOM 1133 O GLN A 75 11.301 -1.222 -13.775 1.00 0.00 O ATOM 1134 CB GLN A 75 11.914 -4.242 -12.460 1.00 0.00 C ATOM 1135 CG GLN A 75 12.861 -4.970 -11.519 1.00 0.00 C ATOM 1136 CD GLN A 75 14.301 -4.528 -11.683 1.00 0.00 C ATOM 1137 OE1 GLN A 75 14.900 -3.970 -10.763 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.867 -4.775 -12.859 1.00 0.00 N ATOM 0 H GLN A 75 10.761 -3.778 -10.328 1.00 0.00 H new ATOM 0 HA GLN A 75 12.499 -2.270 -11.835 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.992 -4.816 -12.550 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.362 -4.201 -13.453 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.547 -4.798 -10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.792 -6.043 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.334 -5.240 -13.594 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.835 -4.500 -13.027 1.00 0.00 H new ATOM 1147 N GLN A 76 9.519 -2.492 -13.252 1.00 0.00 N ATOM 1148 CA GLN A 76 8.654 -1.887 -14.258 1.00 0.00 C ATOM 1149 C GLN A 76 8.415 -0.412 -13.954 1.00 0.00 C ATOM 1150 O GLN A 76 8.301 0.410 -14.864 1.00 0.00 O ATOM 1151 CB GLN A 76 7.318 -2.629 -14.326 1.00 0.00 C ATOM 1152 CG GLN A 76 7.454 -4.091 -14.718 1.00 0.00 C ATOM 1153 CD GLN A 76 6.212 -4.899 -14.396 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.246 -4.904 -15.159 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.232 -5.589 -13.262 1.00 0.00 N ATOM 0 H GLN A 76 9.073 -3.222 -12.696 1.00 0.00 H new ATOM 0 HA GLN A 76 9.153 -1.964 -15.224 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.827 -2.566 -13.355 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.669 -2.128 -15.044 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.661 -4.159 -15.786 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.309 -4.524 -14.200 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.054 -5.556 -12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.425 -6.152 -12.993 1.00 0.00 H new ATOM 1164 N LEU A 77 8.339 -0.083 -12.669 1.00 0.00 N ATOM 1165 CA LEU A 77 8.113 1.294 -12.244 1.00 0.00 C ATOM 1166 C LEU A 77 9.227 2.209 -12.744 1.00 0.00 C ATOM 1167 O LEU A 77 10.253 1.740 -13.236 1.00 0.00 O ATOM 1168 CB LEU A 77 8.021 1.370 -10.719 1.00 0.00 C ATOM 1169 CG LEU A 77 6.615 1.268 -10.125 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.672 0.711 -8.711 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.932 2.628 -10.137 1.00 0.00 C ATOM 0 H LEU A 77 8.431 -0.751 -11.904 1.00 0.00 H new ATOM 0 HA LEU A 77 7.170 1.631 -12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.630 0.570 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.463 2.312 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 77 6.030 0.584 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.663 0.646 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.121 -0.282 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.273 1.370 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.933 2.537 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.516 3.334 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.858 2.989 -11.163 1.00 0.00 H new ATOM 1183 N GLU A 78 9.018 3.515 -12.611 1.00 0.00 N ATOM 1184 CA GLU A 78 10.006 4.494 -13.048 1.00 0.00 C ATOM 1185 C GLU A 78 10.125 5.634 -12.041 1.00 0.00 C ATOM 1186 O GLU A 78 9.143 6.309 -11.733 1.00 0.00 O ATOM 1187 CB GLU A 78 9.631 5.051 -14.423 1.00 0.00 C ATOM 1188 CG GLU A 78 8.259 5.703 -14.462 1.00 0.00 C ATOM 1189 CD GLU A 78 7.948 6.326 -15.809 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.410 7.458 -16.061 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.241 5.681 -16.612 1.00 0.00 O ATOM 0 H GLU A 78 8.174 3.919 -12.205 1.00 0.00 H new ATOM 0 HA GLU A 78 10.971 3.992 -13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.380 5.782 -14.726 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.661 4.243 -15.154 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.500 4.957 -14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.203 6.470 -13.689 1.00 0.00 H new ATOM 1198 N ALA A 79 11.335 5.841 -11.531 1.00 0.00 N ATOM 1199 CA ALA A 79 11.583 6.899 -10.559 1.00 0.00 C ATOM 1200 C ALA A 79 10.874 8.189 -10.959 1.00 0.00 C ATOM 1201 O ALA A 79 10.621 8.447 -12.136 1.00 0.00 O ATOM 1202 CB ALA A 79 13.078 7.141 -10.413 1.00 0.00 C ATOM 0 H ALA A 79 12.158 5.290 -11.775 1.00 0.00 H new ATOM 0 HA ALA A 79 11.182 6.577 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.249 7.933 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.563 6.226 -10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.494 7.438 -11.376 1.00 0.00 H new ATOM 1208 N PRO A 80 10.544 9.018 -9.958 1.00 0.00 N ATOM 1209 CA PRO A 80 10.840 8.720 -8.553 1.00 0.00 C ATOM 1210 C PRO A 80 9.992 7.573 -8.013 1.00 0.00 C ATOM 1211 O PRO A 80 10.224 7.085 -6.907 1.00 0.00 O ATOM 1212 CB PRO A 80 10.493 10.026 -7.833 1.00 0.00 C ATOM 1213 CG PRO A 80 9.488 10.688 -8.712 1.00 0.00 C ATOM 1214 CD PRO A 80 9.856 10.310 -10.120 1.00 0.00 C ATOM 0 HA PRO A 80 11.873 8.401 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.086 9.835 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.376 10.651 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.479 10.355 -8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.507 11.770 -8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.975 10.219 -10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.505 11.056 -10.580 1.00 0.00 H new ATOM 1222 N TYR A 81 9.011 7.148 -8.800 1.00 0.00 N ATOM 1223 CA TYR A 81 8.128 6.059 -8.399 1.00 0.00 C ATOM 1224 C TYR A 81 8.924 4.904 -7.799 1.00 0.00 C ATOM 1225 O TYR A 81 8.750 4.556 -6.632 1.00 0.00 O ATOM 1226 CB TYR A 81 7.317 5.564 -9.598 1.00 0.00 C ATOM 1227 CG TYR A 81 6.736 6.679 -10.438 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.313 7.867 -9.854 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.609 6.545 -11.815 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.781 8.889 -10.616 1.00 0.00 C ATOM 1231 CE2 TYR A 81 6.080 7.562 -12.586 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.667 8.731 -11.982 1.00 0.00 C ATOM 1233 OH TYR A 81 5.137 9.746 -12.746 1.00 0.00 O ATOM 0 H TYR A 81 8.807 7.540 -9.719 1.00 0.00 H new ATOM 0 HA TYR A 81 7.446 6.440 -7.639 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.955 4.942 -10.226 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.506 4.929 -9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.402 7.993 -8.785 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.929 5.630 -12.291 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.456 9.806 -10.146 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.990 7.442 -13.656 1.00 0.00 H new ATOM 0 HH TYR A 81 4.263 9.472 -13.094 1.00 0.00 H new ATOM 1243 N ASN A 82 9.800 4.315 -8.606 1.00 0.00 N ATOM 1244 CA ASN A 82 10.624 3.199 -8.156 1.00 0.00 C ATOM 1245 C ASN A 82 11.708 3.677 -7.194 1.00 0.00 C ATOM 1246 O ASN A 82 12.004 3.017 -6.198 1.00 0.00 O ATOM 1247 CB ASN A 82 11.265 2.495 -9.354 1.00 0.00 C ATOM 1248 CG ASN A 82 12.589 3.119 -9.751 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.503 3.234 -8.935 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.696 3.526 -11.011 1.00 0.00 N ATOM 0 H ASN A 82 9.958 4.592 -9.575 1.00 0.00 H new ATOM 0 HA ASN A 82 9.981 2.494 -7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.420 1.443 -9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.581 2.531 -10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.563 3.954 -11.337 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.912 3.410 -11.653 1.00 0.00 H new ATOM 1257 N SER A 83 12.295 4.830 -7.498 1.00 0.00 N ATOM 1258 CA SER A 83 13.348 5.395 -6.663 1.00 0.00 C ATOM 1259 C SER A 83 13.090 5.098 -5.189 1.00 0.00 C ATOM 1260 O SER A 83 13.961 4.582 -4.487 1.00 0.00 O ATOM 1261 CB SER A 83 13.445 6.907 -6.881 1.00 0.00 C ATOM 1262 OG SER A 83 14.193 7.524 -5.848 1.00 0.00 O ATOM 0 H SER A 83 12.059 5.391 -8.316 1.00 0.00 H new ATOM 0 HA SER A 83 14.293 4.932 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.913 7.109 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.444 7.337 -6.917 1.00 0.00 H new ATOM 0 HG SER A 83 14.242 8.489 -6.011 1.00 0.00 H new ATOM 1268 N ASP A 84 11.889 5.427 -4.727 1.00 0.00 N ATOM 1269 CA ASP A 84 11.515 5.195 -3.337 1.00 0.00 C ATOM 1270 C ASP A 84 10.983 3.778 -3.146 1.00 0.00 C ATOM 1271 O ASP A 84 9.772 3.552 -3.147 1.00 0.00 O ATOM 1272 CB ASP A 84 10.462 6.212 -2.893 1.00 0.00 C ATOM 1273 CG ASP A 84 11.023 7.616 -2.782 1.00 0.00 C ATOM 1274 OD1 ASP A 84 11.142 8.292 -3.825 1.00 0.00 O ATOM 1275 OD2 ASP A 84 11.343 8.038 -1.651 1.00 0.00 O ATOM 0 H ASP A 84 11.158 5.855 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 84 12.407 5.315 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.636 6.209 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.053 5.910 -1.929 1.00 0.00 H new ATOM 1280 N THR A 85 11.896 2.825 -2.984 1.00 0.00 N ATOM 1281 CA THR A 85 11.520 1.430 -2.795 1.00 0.00 C ATOM 1282 C THR A 85 10.576 1.271 -1.609 1.00 0.00 C ATOM 1283 O THR A 85 9.503 0.679 -1.731 1.00 0.00 O ATOM 1284 CB THR A 85 12.757 0.539 -2.575 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.566 1.076 -1.523 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.580 0.432 -3.850 1.00 0.00 C ATOM 0 H THR A 85 12.902 2.995 -2.980 1.00 0.00 H new ATOM 0 HA THR A 85 11.011 1.114 -3.706 1.00 0.00 H new ATOM 0 HB THR A 85 12.415 -0.458 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.350 0.503 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.448 -0.202 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.970 -0.004 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.912 1.425 -4.153 1.00 0.00 H new ATOM 1294 N VAL A 86 10.981 1.804 -0.460 1.00 0.00 N ATOM 1295 CA VAL A 86 10.170 1.722 0.749 1.00 0.00 C ATOM 1296 C VAL A 86 8.698 1.973 0.441 1.00 0.00 C ATOM 1297 O VAL A 86 7.816 1.318 0.998 1.00 0.00 O ATOM 1298 CB VAL A 86 10.641 2.735 1.810 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.145 4.132 1.471 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.170 2.314 3.193 1.00 0.00 C ATOM 0 H VAL A 86 11.866 2.297 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 86 10.289 0.713 1.143 1.00 0.00 H new ATOM 0 HB VAL A 86 11.731 2.753 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.487 4.834 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.536 4.431 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.055 4.134 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.511 3.040 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.081 2.266 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.579 1.333 3.434 1.00 0.00 H new ATOM 1310 N LEU A 87 8.439 2.924 -0.450 1.00 0.00 N ATOM 1311 CA LEU A 87 7.073 3.261 -0.834 1.00 0.00 C ATOM 1312 C LEU A 87 6.442 2.135 -1.646 1.00 0.00 C ATOM 1313 O LEU A 87 5.341 1.676 -1.340 1.00 0.00 O ATOM 1314 CB LEU A 87 7.055 4.560 -1.642 1.00 0.00 C ATOM 1315 CG LEU A 87 5.751 5.357 -1.603 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.344 5.646 -0.166 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.894 6.652 -2.389 1.00 0.00 C ATOM 0 H LEU A 87 9.157 3.475 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 87 6.489 3.398 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.860 5.200 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.280 4.321 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 87 4.968 4.758 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.414 6.214 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.200 4.706 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.127 6.225 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.956 7.206 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.691 7.256 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.138 6.423 -3.426 1.00 0.00 H new ATOM 1329 N VAL A 88 7.147 1.692 -2.683 1.00 0.00 N ATOM 1330 CA VAL A 88 6.657 0.617 -3.537 1.00 0.00 C ATOM 1331 C VAL A 88 6.329 -0.628 -2.721 1.00 0.00 C ATOM 1332 O VAL A 88 5.476 -1.428 -3.105 1.00 0.00 O ATOM 1333 CB VAL A 88 7.687 0.250 -4.622 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.177 -0.903 -5.474 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.006 1.461 -5.486 1.00 0.00 C ATOM 0 H VAL A 88 8.059 2.061 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 88 5.749 0.982 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 88 8.606 -0.070 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.918 -1.148 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.004 -1.774 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.243 -0.614 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.735 1.183 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.095 1.814 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.417 2.255 -4.862 1.00 0.00 H new ATOM 1345 N HIS A 89 7.012 -0.785 -1.591 1.00 0.00 N ATOM 1346 CA HIS A 89 6.792 -1.933 -0.719 1.00 0.00 C ATOM 1347 C HIS A 89 5.553 -1.727 0.148 1.00 0.00 C ATOM 1348 O HIS A 89 4.820 -2.674 0.434 1.00 0.00 O ATOM 1349 CB HIS A 89 8.016 -2.168 0.168 1.00 0.00 C ATOM 1350 CG HIS A 89 8.073 -3.544 0.757 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.161 -4.004 1.684 1.00 0.00 N ATOM 1352 CD2 HIS A 89 8.939 -4.562 0.546 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.465 -5.245 2.018 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.539 -5.608 1.341 1.00 0.00 N ATOM 0 H HIS A 89 7.722 -0.132 -1.258 1.00 0.00 H new ATOM 0 HA HIS A 89 6.633 -2.810 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.918 -1.995 -0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.015 -1.436 0.975 1.00 0.00 H new ATOM 0 HD1 HIS A 89 6.375 -3.469 2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.787 -4.554 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.927 -5.859 2.725 1.00 0.00 H new ATOM 1363 N ARG A 90 5.327 -0.485 0.564 1.00 0.00 N ATOM 1364 CA ARG A 90 4.179 -0.157 1.399 1.00 0.00 C ATOM 1365 C ARG A 90 2.902 -0.088 0.566 1.00 0.00 C ATOM 1366 O ARG A 90 1.819 -0.431 1.041 1.00 0.00 O ATOM 1367 CB ARG A 90 4.406 1.177 2.114 1.00 0.00 C ATOM 1368 CG ARG A 90 5.557 1.147 3.106 1.00 0.00 C ATOM 1369 CD ARG A 90 6.132 2.537 3.334 1.00 0.00 C ATOM 1370 NE ARG A 90 6.826 2.639 4.615 1.00 0.00 N ATOM 1371 CZ ARG A 90 7.018 3.786 5.257 1.00 0.00 C ATOM 1372 NH1 ARG A 90 6.570 4.922 4.741 1.00 0.00 N ATOM 1373 NH2 ARG A 90 7.659 3.798 6.419 1.00 0.00 N ATOM 0 H ARG A 90 5.924 0.310 0.336 1.00 0.00 H new ATOM 0 HA ARG A 90 4.065 -0.946 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.598 1.950 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.493 1.459 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.211 0.735 4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.340 0.484 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.823 2.780 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.328 3.272 3.298 1.00 0.00 H new ATOM 0 HE ARG A 90 7.183 1.783 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.076 4.917 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.719 5.801 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.005 2.926 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.806 4.679 6.911 1.00 0.00 H new ATOM 1387 N VAL A 91 3.037 0.357 -0.679 1.00 0.00 N ATOM 1388 CA VAL A 91 1.895 0.470 -1.578 1.00 0.00 C ATOM 1389 C VAL A 91 1.493 -0.893 -2.129 1.00 0.00 C ATOM 1390 O VAL A 91 0.341 -1.311 -2.003 1.00 0.00 O ATOM 1391 CB VAL A 91 2.199 1.418 -2.754 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.026 1.461 -3.721 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.530 2.812 -2.242 1.00 0.00 C ATOM 0 H VAL A 91 3.926 0.645 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 91 1.071 0.880 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 91 3.068 1.037 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.258 2.135 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.840 0.461 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.138 1.818 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.742 3.469 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.682 3.204 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.404 2.763 -1.592 1.00 0.00 H new ATOM 1403 N HIS A 92 2.450 -1.584 -2.742 1.00 0.00 N ATOM 1404 CA HIS A 92 2.195 -2.902 -3.312 1.00 0.00 C ATOM 1405 C HIS A 92 1.560 -3.828 -2.279 1.00 0.00 C ATOM 1406 O HIS A 92 0.800 -4.732 -2.625 1.00 0.00 O ATOM 1407 CB HIS A 92 3.496 -3.515 -3.832 1.00 0.00 C ATOM 1408 CG HIS A 92 3.290 -4.761 -4.637 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.095 -6.002 -4.068 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.249 -4.953 -5.977 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.944 -6.903 -5.022 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.032 -6.292 -6.190 1.00 0.00 N ATOM 0 H HIS A 92 3.408 -1.253 -2.856 1.00 0.00 H new ATOM 0 HA HIS A 92 1.499 -2.783 -4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.016 -2.778 -4.444 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.145 -3.742 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.365 -4.194 -6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.777 -7.959 -4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.952 -6.742 -7.102 1.00 0.00 H new ATOM 1421 N SER A 93 1.878 -3.596 -1.009 1.00 0.00 N ATOM 1422 CA SER A 93 1.342 -4.412 0.074 1.00 0.00 C ATOM 1423 C SER A 93 -0.139 -4.121 0.292 1.00 0.00 C ATOM 1424 O SER A 93 -0.991 -4.985 0.082 1.00 0.00 O ATOM 1425 CB SER A 93 2.120 -4.155 1.367 1.00 0.00 C ATOM 1426 OG SER A 93 2.216 -2.768 1.637 1.00 0.00 O ATOM 0 H SER A 93 2.504 -2.850 -0.705 1.00 0.00 H new ATOM 0 HA SER A 93 1.451 -5.460 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.626 -4.657 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.119 -4.583 1.285 1.00 0.00 H new ATOM 0 HG SER A 93 2.716 -2.630 2.468 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.439 -2.897 0.714 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.817 -2.491 0.963 1.00 0.00 C ATOM 1434 C TYR A 94 -2.745 -3.013 -0.130 1.00 0.00 C ATOM 1435 O TYR A 94 -3.906 -3.336 0.126 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.915 -0.967 1.046 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.272 -0.425 0.658 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.625 -0.272 -0.677 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.202 -0.067 1.627 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.864 0.224 -1.036 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.443 0.427 1.277 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.769 0.572 -0.055 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.005 1.064 -0.409 1.00 0.00 O ATOM 0 H TYR A 94 0.254 -2.169 0.891 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.129 -2.921 1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.685 -0.651 2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.158 -0.527 0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.919 -0.545 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.950 -0.177 2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.122 0.338 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.155 0.698 2.043 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.309 1.703 0.269 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.225 -3.093 -1.349 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.004 -3.576 -2.484 1.00 0.00 C ATOM 1455 C LEU A 95 -3.191 -5.088 -2.412 1.00 0.00 C ATOM 1456 O LEU A 95 -4.309 -5.590 -2.526 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.318 -3.197 -3.798 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.278 -1.704 -4.127 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.186 -1.412 -5.145 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.630 -1.235 -4.644 1.00 0.00 C ATOM 0 H LEU A 95 -1.266 -2.830 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.986 -3.105 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.294 -3.570 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.825 -3.715 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.051 -1.156 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.172 -0.345 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.220 -1.711 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.383 -1.971 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.583 -0.170 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.886 -1.789 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.391 -1.409 -3.883 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.089 -5.807 -2.220 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.133 -7.262 -2.132 1.00 0.00 C ATOM 1474 C GLU A 96 -2.819 -7.708 -0.844 1.00 0.00 C ATOM 1475 O GLU A 96 -3.828 -8.413 -0.877 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.719 -7.841 -2.197 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.667 -9.345 -1.983 1.00 0.00 C ATOM 1478 CD GLU A 96 0.748 -9.861 -1.807 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.660 -9.329 -2.475 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.944 -10.795 -1.003 1.00 0.00 O ATOM 0 H GLU A 96 -1.156 -5.406 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.710 -7.635 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.283 -7.605 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.101 -7.354 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.256 -9.604 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.129 -9.845 -2.834 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.264 -7.292 0.290 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.820 -7.650 1.589 1.00 0.00 C ATOM 1489 C ARG A 97 -4.342 -7.538 1.578 1.00 0.00 C ATOM 1490 O ARG A 97 -5.044 -8.439 2.040 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.240 -6.750 2.681 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.815 -7.108 3.072 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.427 -6.478 4.401 1.00 0.00 C ATOM 1494 NE ARG A 97 0.802 -7.053 4.941 1.00 0.00 N ATOM 1495 CZ ARG A 97 0.894 -8.298 5.394 1.00 0.00 C ATOM 1496 NH1 ARG A 97 -0.165 -9.095 5.372 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.048 -8.748 5.870 1.00 0.00 N ATOM 0 H ARG A 97 -1.430 -6.707 0.335 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.550 -8.685 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.265 -5.715 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.876 -6.809 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.716 -8.191 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.128 -6.773 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.297 -5.404 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.237 -6.615 5.117 1.00 0.00 H new ATOM 0 HE ARG A 97 1.636 -6.466 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.054 -8.753 5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.091 -10.051 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.865 -8.138 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.118 -9.704 6.218 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.845 -6.427 1.049 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.284 -6.198 0.979 1.00 0.00 C ATOM 1513 C HIS A 98 -6.954 -7.227 0.074 1.00 0.00 C ATOM 1514 O HIS A 98 -8.013 -7.761 0.403 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.571 -4.787 0.465 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.374 -3.721 1.500 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.123 -2.564 1.540 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.508 -3.644 2.537 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.724 -1.820 2.556 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.746 -2.453 3.178 1.00 0.00 N ATOM 0 H HIS A 98 -4.278 -5.672 0.663 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.694 -6.302 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.922 -4.580 -0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.598 -4.743 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.768 -4.382 2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.129 -0.857 2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.248 -2.113 4.001 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.330 -7.501 -1.068 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.881 -8.465 -2.002 1.00 0.00 C ATOM 1531 C GLY A 99 -7.251 -7.838 -3.332 1.00 0.00 C ATOM 1532 O GLY A 99 -8.228 -8.239 -3.966 1.00 0.00 O ATOM 0 H GLY A 99 -5.453 -7.072 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.155 -9.261 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.765 -8.927 -1.563 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.469 -6.850 -3.755 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.720 -6.165 -5.018 1.00 0.00 C ATOM 1538 C LEU A 100 -5.777 -6.667 -6.107 1.00 0.00 C ATOM 1539 O LEU A 100 -5.980 -6.394 -7.291 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.555 -4.654 -4.842 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.106 -4.066 -3.543 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.501 -2.611 -3.740 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.293 -4.880 -3.049 1.00 0.00 C ATOM 0 H LEU A 100 -5.657 -6.506 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.744 -6.380 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.493 -4.415 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.044 -4.155 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.322 -4.109 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.891 -2.210 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.628 -2.035 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.268 -2.543 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.672 -4.446 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.080 -4.870 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.979 -5.908 -2.866 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.749 -7.403 -5.699 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.778 -7.946 -6.640 1.00 0.00 C ATOM 1557 C ILE A 101 -3.361 -9.359 -6.246 1.00 0.00 C ATOM 1558 O ILE A 101 -3.245 -9.675 -5.063 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.522 -7.058 -6.729 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.818 -6.996 -5.372 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.894 -5.661 -7.203 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.365 -6.585 -5.463 1.00 0.00 C ATOM 0 H ILE A 101 -4.567 -7.637 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.264 -7.972 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.836 -7.496 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.347 -6.292 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.881 -7.974 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.996 -5.045 -7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.356 -5.722 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.596 -5.213 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.070 -6.562 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.178 -7.302 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.295 -5.594 -5.912 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.135 -10.204 -7.246 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.729 -11.584 -7.004 1.00 0.00 C ATOM 1576 C ASN A 102 -3.831 -12.357 -6.287 1.00 0.00 C ATOM 1577 O ASN A 102 -3.604 -12.945 -5.229 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.443 -11.621 -6.177 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.335 -10.788 -6.792 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.576 -9.981 -7.690 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.888 -10.981 -6.311 1.00 0.00 N ATOM 0 H ASN A 102 -3.226 -9.958 -8.232 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.546 -12.058 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.651 -11.258 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.106 -12.653 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.673 -10.450 -6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.042 -11.661 -5.566 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.025 -12.353 -6.869 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.164 -13.053 -6.286 1.00 0.00 C ATOM 1590 C PHE A 103 -6.696 -14.116 -7.242 1.00 0.00 C ATOM 1591 O PHE A 103 -7.860 -14.507 -7.167 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.275 -12.062 -5.937 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.580 -11.090 -7.041 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.964 -11.541 -8.293 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.482 -9.724 -6.826 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.246 -10.650 -9.311 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.763 -8.828 -7.840 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.144 -9.291 -9.084 1.00 0.00 C ATOM 0 H PHE A 103 -5.230 -11.872 -7.745 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.828 -13.546 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.181 -12.616 -5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.988 -11.507 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.044 -12.602 -8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.183 -9.356 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.546 -11.015 -10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.685 -7.766 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.362 -8.592 -9.878 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.834 -14.579 -8.143 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.236 -15.592 -9.102 1.00 0.00 C ATOM 1610 C GLY A 104 -5.113 -15.974 -10.046 1.00 0.00 C ATOM 1611 O GLY A 104 -5.262 -15.887 -11.265 1.00 0.00 O ATOM 0 H GLY A 104 -4.865 -14.271 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.575 -16.479 -8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.084 -15.225 -9.680 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.986 -16.396 -9.483 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.834 -16.792 -10.283 1.00 0.00 C ATOM 1617 C ILE A 105 -2.230 -18.094 -9.769 1.00 0.00 C ATOM 1618 O ILE A 105 -1.766 -18.925 -10.550 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.748 -15.700 -10.284 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.226 -15.468 -8.865 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.297 -14.408 -10.871 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.226 -14.789 -7.956 1.00 0.00 C ATOM 0 H ILE A 105 -3.846 -16.472 -8.476 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.192 -16.938 -11.302 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.917 -16.034 -10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.944 -16.426 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.322 -14.861 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.518 -13.646 -10.865 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.624 -14.584 -11.896 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.143 -14.067 -10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.788 -14.657 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.490 -13.815 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.122 -15.405 -7.876 1.00 0.00 H new ATOM 1634 N TYR A 106 -2.240 -18.265 -8.452 1.00 0.00 N ATOM 1635 CA TYR A 106 -1.691 -19.466 -7.834 1.00 0.00 C ATOM 1636 C TYR A 106 -2.786 -20.269 -7.137 1.00 0.00 C ATOM 1637 O TYR A 106 -3.937 -19.837 -7.063 1.00 0.00 O ATOM 1638 CB TYR A 106 -0.599 -19.095 -6.830 1.00 0.00 C ATOM 1639 CG TYR A 106 -0.833 -17.769 -6.142 1.00 0.00 C ATOM 1640 CD1 TYR A 106 -1.932 -17.579 -5.313 1.00 0.00 C ATOM 1641 CD2 TYR A 106 0.043 -16.706 -6.323 1.00 0.00 C ATOM 1642 CE1 TYR A 106 -2.150 -16.369 -4.683 1.00 0.00 C ATOM 1643 CE2 TYR A 106 -0.167 -15.493 -5.696 1.00 0.00 C ATOM 1644 CZ TYR A 106 -1.265 -15.329 -4.877 1.00 0.00 C ATOM 1645 OH TYR A 106 -1.479 -14.122 -4.252 1.00 0.00 O ATOM 0 H TYR A 106 -2.622 -17.588 -7.792 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.257 -20.083 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.530 -19.879 -6.076 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.361 -19.063 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.627 -18.391 -5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.903 -16.830 -6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -3.009 -16.238 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.525 -14.677 -5.846 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.286 -13.703 -4.618 1.00 0.00 H new ATOM 1655 N LYS A 107 -2.419 -21.439 -6.627 1.00 0.00 N ATOM 1656 CA LYS A 107 -3.367 -22.304 -5.934 1.00 0.00 C ATOM 1657 C LYS A 107 -4.133 -21.526 -4.868 1.00 0.00 C ATOM 1658 O LYS A 107 -5.257 -21.884 -4.513 1.00 0.00 O ATOM 1659 CB LYS A 107 -2.637 -23.485 -5.292 1.00 0.00 C ATOM 1660 CG LYS A 107 -2.432 -24.658 -6.235 1.00 0.00 C ATOM 1661 CD LYS A 107 -3.693 -25.497 -6.364 1.00 0.00 C ATOM 1662 CE LYS A 107 -3.788 -26.155 -7.732 1.00 0.00 C ATOM 1663 NZ LYS A 107 -5.193 -26.497 -8.087 1.00 0.00 N ATOM 0 H LYS A 107 -1.471 -21.811 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.080 -22.681 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.666 -23.147 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.203 -23.822 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.137 -24.289 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.615 -25.281 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.702 -26.264 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.568 -24.868 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.376 -25.485 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.180 -27.060 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.215 -26.943 -9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.579 -27.156 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.768 -25.631 -8.102 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.519 -20.462 -4.362 1.00 0.00 N ATOM 1678 CA ARG A 108 -4.143 -19.635 -3.337 1.00 0.00 C ATOM 1679 C ARG A 108 -5.089 -18.614 -3.964 1.00 0.00 C ATOM 1680 O ARG A 108 -4.650 -17.604 -4.516 1.00 0.00 O ATOM 1681 CB ARG A 108 -3.075 -18.916 -2.510 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.640 -17.874 -1.560 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.032 -18.490 -0.226 1.00 0.00 C ATOM 1684 NE ARG A 108 -2.885 -19.074 0.465 1.00 0.00 N ATOM 1685 CZ ARG A 108 -2.926 -19.510 1.719 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -4.051 -19.428 2.416 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -1.841 -20.029 2.279 1.00 0.00 N ATOM 0 H ARG A 108 -2.589 -20.152 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.721 -20.287 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.515 -19.654 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.368 -18.434 -3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.900 -17.090 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.511 -17.401 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.486 -17.727 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.787 -19.259 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.004 -19.151 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.887 -19.029 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.080 -19.764 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.973 -20.094 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.874 -20.363 3.242 1.00 0.00 H new ATOM 1701 N ILE A 109 -6.386 -18.884 -3.875 1.00 0.00 N ATOM 1702 CA ILE A 109 -7.393 -17.989 -4.433 1.00 0.00 C ATOM 1703 C ILE A 109 -8.599 -17.874 -3.507 1.00 0.00 C ATOM 1704 O ILE A 109 -9.338 -18.839 -3.309 1.00 0.00 O ATOM 1705 CB ILE A 109 -7.866 -18.467 -5.818 1.00 0.00 C ATOM 1706 CG1 ILE A 109 -6.670 -18.650 -6.755 1.00 0.00 C ATOM 1707 CG2 ILE A 109 -8.862 -17.480 -6.408 1.00 0.00 C ATOM 1708 CD1 ILE A 109 -7.019 -19.342 -8.054 1.00 0.00 C ATOM 0 H ILE A 109 -6.765 -19.715 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.923 -17.011 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.364 -19.430 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -6.240 -17.673 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.901 -19.227 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.187 -17.832 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.725 -17.396 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.389 -16.504 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.123 -19.437 -8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.421 -20.333 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.765 -18.755 -8.590 1.00 0.00 H new ATOM 1720 N LYS A 110 -8.796 -16.687 -2.945 1.00 0.00 N ATOM 1721 CA LYS A 110 -9.915 -16.442 -2.043 1.00 0.00 C ATOM 1722 C LYS A 110 -11.125 -15.917 -2.807 1.00 0.00 C ATOM 1723 O LYS A 110 -11.001 -15.285 -3.856 1.00 0.00 O ATOM 1724 CB LYS A 110 -9.511 -15.443 -0.956 1.00 0.00 C ATOM 1725 CG LYS A 110 -9.453 -14.006 -1.443 1.00 0.00 C ATOM 1726 CD LYS A 110 -8.460 -13.184 -0.637 1.00 0.00 C ATOM 1727 CE LYS A 110 -8.175 -11.846 -1.302 1.00 0.00 C ATOM 1728 NZ LYS A 110 -6.798 -11.363 -1.006 1.00 0.00 N ATOM 0 H LYS A 110 -8.194 -15.878 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.186 -17.388 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.220 -15.510 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.535 -15.724 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.171 -13.989 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.443 -13.556 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.854 -13.017 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.530 -13.742 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.303 -11.942 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.900 -11.108 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.850 -10.471 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.294 -12.075 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.286 -11.205 -1.898 1.00 0.00 H new ATOM 1742 N PRO A 111 -12.326 -16.182 -2.271 1.00 0.00 N ATOM 1743 CA PRO A 111 -13.582 -15.742 -2.885 1.00 0.00 C ATOM 1744 C PRO A 111 -13.770 -14.231 -2.804 1.00 0.00 C ATOM 1745 O PRO A 111 -12.954 -13.525 -2.210 1.00 0.00 O ATOM 1746 CB PRO A 111 -14.652 -16.459 -2.058 1.00 0.00 C ATOM 1747 CG PRO A 111 -14.008 -16.704 -0.737 1.00 0.00 C ATOM 1748 CD PRO A 111 -12.549 -16.930 -1.022 1.00 0.00 C ATOM 0 HA PRO A 111 -13.618 -15.976 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -15.548 -15.847 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -14.957 -17.393 -2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -14.148 -15.853 -0.071 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -14.448 -17.571 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.919 -16.559 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -12.322 -17.989 -1.142 1.00 0.00 H new ATOM 1756 N LEU A 112 -14.849 -13.741 -3.403 1.00 0.00 N ATOM 1757 CA LEU A 112 -15.145 -12.312 -3.398 1.00 0.00 C ATOM 1758 C LEU A 112 -16.524 -12.039 -3.990 1.00 0.00 C ATOM 1759 O LEU A 112 -17.056 -12.824 -4.775 1.00 0.00 O ATOM 1760 CB LEU A 112 -14.079 -11.548 -4.184 1.00 0.00 C ATOM 1761 CG LEU A 112 -13.691 -12.141 -5.539 1.00 0.00 C ATOM 1762 CD1 LEU A 112 -14.781 -11.881 -6.568 1.00 0.00 C ATOM 1763 CD2 LEU A 112 -12.362 -11.568 -6.011 1.00 0.00 C ATOM 0 H LEU A 112 -15.534 -14.312 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.140 -11.969 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.434 -10.530 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -13.182 -11.480 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.579 -13.219 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -14.487 -12.310 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.712 -12.340 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -14.926 -10.807 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.101 -12.001 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.447 -10.486 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.585 -11.806 -5.285 1.00 0.00 H new ATOM 1775 N PRO A 113 -17.117 -10.899 -3.608 1.00 0.00 N ATOM 1776 CA PRO A 113 -18.441 -10.494 -4.091 1.00 0.00 C ATOM 1777 C PRO A 113 -18.425 -10.107 -5.566 1.00 0.00 C ATOM 1778 O PRO A 113 -17.386 -10.165 -6.224 1.00 0.00 O ATOM 1779 CB PRO A 113 -18.780 -9.280 -3.223 1.00 0.00 C ATOM 1780 CG PRO A 113 -17.459 -8.731 -2.806 1.00 0.00 C ATOM 1781 CD PRO A 113 -16.542 -9.916 -2.674 1.00 0.00 C ATOM 0 HA PRO A 113 -19.167 -11.303 -4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -19.357 -8.543 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -19.380 -9.566 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.080 -8.024 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.540 -8.193 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.516 -9.662 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.522 -10.296 -1.653 1.00 0.00 H new ATOM 1789 N THR A 114 -19.585 -9.711 -6.081 1.00 0.00 N ATOM 1790 CA THR A 114 -19.705 -9.314 -7.478 1.00 0.00 C ATOM 1791 C THR A 114 -19.632 -7.799 -7.629 1.00 0.00 C ATOM 1792 O THR A 114 -19.803 -7.060 -6.659 1.00 0.00 O ATOM 1793 CB THR A 114 -21.026 -9.816 -8.093 1.00 0.00 C ATOM 1794 OG1 THR A 114 -22.135 -9.354 -7.315 1.00 0.00 O ATOM 1795 CG2 THR A 114 -21.047 -11.336 -8.164 1.00 0.00 C ATOM 0 H THR A 114 -20.455 -9.657 -5.551 1.00 0.00 H new ATOM 0 HA THR A 114 -18.868 -9.769 -8.008 1.00 0.00 H new ATOM 0 HB THR A 114 -21.103 -9.420 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 114 -22.971 -9.676 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 114 -21.989 -11.667 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 114 -20.219 -11.683 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 114 -20.949 -11.749 -7.160 1.00 0.00 H new ATOM 1803 N LYS A 115 -19.376 -7.342 -8.850 1.00 0.00 N ATOM 1804 CA LYS A 115 -19.282 -5.914 -9.128 1.00 0.00 C ATOM 1805 C LYS A 115 -20.668 -5.285 -9.224 1.00 0.00 C ATOM 1806 O LYS A 115 -21.632 -5.940 -9.621 1.00 0.00 O ATOM 1807 CB LYS A 115 -18.512 -5.677 -10.429 1.00 0.00 C ATOM 1808 CG LYS A 115 -18.041 -4.244 -10.605 1.00 0.00 C ATOM 1809 CD LYS A 115 -17.089 -4.110 -11.782 1.00 0.00 C ATOM 1810 CE LYS A 115 -17.819 -4.244 -13.109 1.00 0.00 C ATOM 1811 NZ LYS A 115 -16.893 -4.114 -14.268 1.00 0.00 N ATOM 0 H LYS A 115 -19.230 -7.940 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.746 -5.444 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.648 -6.340 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -19.148 -5.948 -11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.902 -3.593 -10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.544 -3.909 -9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.588 -3.143 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.314 -4.874 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.320 -5.211 -13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.594 -3.480 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.430 -4.211 -15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.433 -3.181 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.168 -4.858 -14.219 1.00 0.00 H new ATOM 1825 N LYS A 116 -20.761 -4.011 -8.859 1.00 0.00 N ATOM 1826 CA LYS A 116 -22.029 -3.292 -8.907 1.00 0.00 C ATOM 1827 C LYS A 116 -22.492 -3.099 -10.347 1.00 0.00 C ATOM 1828 O LYS A 116 -22.220 -2.069 -10.965 1.00 0.00 O ATOM 1829 CB LYS A 116 -21.894 -1.933 -8.216 1.00 0.00 C ATOM 1830 CG LYS A 116 -23.220 -1.223 -8.007 1.00 0.00 C ATOM 1831 CD LYS A 116 -23.883 -1.650 -6.708 1.00 0.00 C ATOM 1832 CE LYS A 116 -23.329 -0.880 -5.520 1.00 0.00 C ATOM 1833 NZ LYS A 116 -22.075 -1.491 -4.998 1.00 0.00 N ATOM 0 H LYS A 116 -19.973 -3.455 -8.527 1.00 0.00 H new ATOM 0 HA LYS A 116 -22.776 -3.887 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -21.410 -2.073 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -21.240 -1.296 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -23.059 -0.145 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -23.885 -1.438 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -24.959 -1.489 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -23.730 -2.718 -6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -23.135 0.151 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -24.076 -0.850 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -22.049 -1.399 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -22.045 -2.498 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.254 -1.003 -5.410 1.00 0.00 H new ATOM 1847 N THR A 117 -23.194 -4.095 -10.877 1.00 0.00 N ATOM 1848 CA THR A 117 -23.694 -4.035 -12.245 1.00 0.00 C ATOM 1849 C THR A 117 -25.019 -3.284 -12.312 1.00 0.00 C ATOM 1850 O THR A 117 -26.071 -3.831 -11.983 1.00 0.00 O ATOM 1851 CB THR A 117 -23.885 -5.444 -12.836 1.00 0.00 C ATOM 1852 OG1 THR A 117 -22.646 -6.161 -12.804 1.00 0.00 O ATOM 1853 CG2 THR A 117 -24.394 -5.366 -14.268 1.00 0.00 C ATOM 0 H THR A 117 -23.429 -4.954 -10.379 1.00 0.00 H new ATOM 0 HA THR A 117 -22.946 -3.502 -12.832 1.00 0.00 H new ATOM 0 HB THR A 117 -24.625 -5.970 -12.232 1.00 0.00 H new ATOM 0 HG1 THR A 117 -22.776 -7.057 -13.180 1.00 0.00 H new ATOM 0 HG21 THR A 117 -24.521 -6.373 -14.664 1.00 0.00 H new ATOM 0 HG22 THR A 117 -25.351 -4.845 -14.286 1.00 0.00 H new ATOM 0 HG23 THR A 117 -23.674 -4.823 -14.881 1.00 0.00 H new ATOM 1861 N GLY A 118 -24.961 -2.027 -12.742 1.00 0.00 N ATOM 1862 CA GLY A 118 -26.164 -1.222 -12.845 1.00 0.00 C ATOM 1863 C GLY A 118 -25.916 0.107 -13.531 1.00 0.00 C ATOM 1864 O GLY A 118 -25.196 0.174 -14.527 1.00 0.00 O ATOM 0 H GLY A 118 -24.102 -1.552 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -26.922 -1.777 -13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -26.564 -1.043 -11.847 1.00 0.00 H new ATOM 1868 N SER A 119 -26.514 1.167 -12.998 1.00 0.00 N ATOM 1869 CA SER A 119 -26.359 2.500 -13.569 1.00 0.00 C ATOM 1870 C SER A 119 -24.988 3.079 -13.231 1.00 0.00 C ATOM 1871 O SER A 119 -24.264 2.541 -12.395 1.00 0.00 O ATOM 1872 CB SER A 119 -27.459 3.430 -13.054 1.00 0.00 C ATOM 1873 OG SER A 119 -27.686 4.500 -13.955 1.00 0.00 O ATOM 0 H SER A 119 -27.110 1.129 -12.171 1.00 0.00 H new ATOM 0 HA SER A 119 -26.442 2.416 -14.653 1.00 0.00 H new ATOM 0 HB2 SER A 119 -28.381 2.866 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 119 -27.178 3.826 -12.078 1.00 0.00 H new ATOM 0 HG SER A 119 -28.395 5.079 -13.604 1.00 0.00 H new ATOM 1879 N GLY A 120 -24.639 4.181 -13.888 1.00 0.00 N ATOM 1880 CA GLY A 120 -23.357 4.816 -13.644 1.00 0.00 C ATOM 1881 C GLY A 120 -23.497 6.163 -12.964 1.00 0.00 C ATOM 1882 O GLY A 120 -24.442 6.913 -13.213 1.00 0.00 O ATOM 0 H GLY A 120 -25.221 4.645 -14.585 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -22.743 4.162 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -22.832 4.943 -14.591 1.00 0.00 H new ATOM 1886 N PRO A 121 -22.541 6.487 -12.082 1.00 0.00 N ATOM 1887 CA PRO A 121 -22.540 7.755 -11.345 1.00 0.00 C ATOM 1888 C PRO A 121 -22.250 8.949 -12.247 1.00 0.00 C ATOM 1889 O PRO A 121 -22.945 9.964 -12.192 1.00 0.00 O ATOM 1890 CB PRO A 121 -21.415 7.570 -10.323 1.00 0.00 C ATOM 1891 CG PRO A 121 -20.505 6.565 -10.940 1.00 0.00 C ATOM 1892 CD PRO A 121 -21.386 5.642 -11.736 1.00 0.00 C ATOM 0 HA PRO A 121 -23.511 7.967 -10.897 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.896 8.509 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -21.803 7.219 -9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.767 7.048 -11.580 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.954 6.016 -10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -20.879 5.271 -12.626 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -21.686 4.771 -11.153 1.00 0.00 H new ATOM 1900 N SER A 122 -21.219 8.822 -13.077 1.00 0.00 N ATOM 1901 CA SER A 122 -20.835 9.894 -13.988 1.00 0.00 C ATOM 1902 C SER A 122 -21.680 9.855 -15.258 1.00 0.00 C ATOM 1903 O SER A 122 -21.883 8.795 -15.850 1.00 0.00 O ATOM 1904 CB SER A 122 -19.352 9.781 -14.345 1.00 0.00 C ATOM 1905 OG SER A 122 -18.538 10.330 -13.323 1.00 0.00 O ATOM 0 H SER A 122 -20.635 7.988 -13.137 1.00 0.00 H new ATOM 0 HA SER A 122 -21.009 10.845 -13.485 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.091 8.734 -14.499 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.160 10.299 -15.285 1.00 0.00 H new ATOM 0 HG SER A 122 -17.595 10.244 -13.574 1.00 0.00 H new ATOM 1911 N SER A 123 -22.171 11.020 -15.671 1.00 0.00 N ATOM 1912 CA SER A 123 -22.997 11.120 -16.868 1.00 0.00 C ATOM 1913 C SER A 123 -22.146 10.991 -18.128 1.00 0.00 C ATOM 1914 O SER A 123 -22.407 10.146 -18.983 1.00 0.00 O ATOM 1915 CB SER A 123 -23.752 12.450 -16.882 1.00 0.00 C ATOM 1916 OG SER A 123 -24.538 12.578 -18.054 1.00 0.00 O ATOM 0 H SER A 123 -22.011 11.907 -15.194 1.00 0.00 H new ATOM 0 HA SER A 123 -23.717 10.302 -16.852 1.00 0.00 H new ATOM 0 HB2 SER A 123 -24.392 12.518 -16.002 1.00 0.00 H new ATOM 0 HB3 SER A 123 -23.042 13.275 -16.824 1.00 0.00 H new ATOM 0 HG SER A 123 -25.012 13.436 -18.038 1.00 0.00 H new ATOM 1922 N GLY A 124 -21.126 11.837 -18.234 1.00 0.00 N ATOM 1923 CA GLY A 124 -20.252 11.803 -19.392 1.00 0.00 C ATOM 1924 C GLY A 124 -19.112 12.797 -19.287 1.00 0.00 C ATOM 1925 O GLY A 124 -18.761 13.236 -18.192 1.00 0.00 O ATOM 0 H GLY A 124 -20.889 12.545 -17.539 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -19.845 10.798 -19.507 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -20.834 12.015 -20.289 1.00 0.00 H new TER 1929 GLY A 124