USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 SER OG : rot 180:sc= 0.0794 USER MOD Set 1.2: A 79 MET CE :methyl -170:sc= 0 (180deg=-0.222) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -171:sc= 0.9 (180deg=-0.137) USER MOD Set 2.2: A 74 GLN : amide:sc= 0.84 K(o=1.7,f=-1.8) USER MOD Set 3.1: A 34 LYS NZ :NH3+ 165:sc= 0.697 (180deg=0) USER MOD Set 3.2: A 36 THR OG1 : rot 149:sc= 1.55 USER MOD Set 3.3: A 92 TYR OH : rot 180:sc= 0.807 USER MOD Set 4.1: A 13 MET CE :methyl 180:sc= -0.0264 (180deg=-0.0264) USER MOD Set 4.2: A 15 SER OG : rot 55:sc= 0.28 USER MOD Set 5.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-4.1!) USER MOD Single : A 17 ASN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0769 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00445 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.129 USER MOD Single : A 24 ASN : amide:sc=-0.00314 X(o=-0.0031,f=-0.0055) USER MOD Single : A 25 TYR OH : rot 100:sc= 0.425 USER MOD Single : A 27 ASN : amide:sc= 0.952 K(o=0.95,f=-6.1!) USER MOD Single : A 29 MET CE :methyl 170:sc= -0.0155 (180deg=-0.196) USER MOD Single : A 30 MET CE :methyl 178:sc= 0 (180deg=-0.00677) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 163:sc= -0.0189 (180deg=-0.297) USER MOD Single : A 37 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0641) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0.769 (180deg=0.608) USER MOD Single : A 44 ASN : amide:sc= 2.1 K(o=2.1,f=0.11) USER MOD Single : A 45 THR OG1 : rot -97:sc= 1.33 USER MOD Single : A 48 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-5.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= 1.07 (180deg=0.659) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.62 K(o=0.62,f=-0.69) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00385 USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0.161 (180deg=0.142) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 100:sc= 1.12 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 95:sc= 2.24 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= -0.0153 (180deg=-0.195) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 144:sc= 0.815 USER MOD Single : A 91 LYS NZ :NH3+ -170:sc=-0.00145 (180deg=-0.11) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 21:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ 176:sc=-0.00119 (180deg=-0.0405) USER MOD Single : A 99 THR OG1 : rot 155:sc= 0.42 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.465 K(o=0.46,f=-5.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.117 USER MOD Single : A 119 HIS : no HE2:sc= 0.483 K(o=0.48,f=-2.9!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.877 -8.626 10.628 1.00 0.00 N ATOM 2 CA LYS A 1 -14.288 -9.976 10.713 1.00 0.00 C ATOM 3 C LYS A 1 -12.852 -9.975 10.183 1.00 0.00 C ATOM 4 O LYS A 1 -11.921 -10.318 10.909 1.00 0.00 O ATOM 5 CB LYS A 1 -15.162 -11.001 9.974 1.00 0.00 C ATOM 6 CG LYS A 1 -14.693 -12.448 10.208 1.00 0.00 C ATOM 7 CD LYS A 1 -14.597 -13.261 8.908 1.00 0.00 C ATOM 8 CE LYS A 1 -13.422 -12.808 8.030 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.246 -13.685 6.860 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.851 -8.649 10.992 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.310 -7.964 11.195 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.886 -8.313 9.636 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.253 -10.271 11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.196 -10.899 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.146 -10.785 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.718 -12.435 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.384 -12.943 10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.483 -14.318 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.527 -13.161 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.591 -11.785 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.507 -12.803 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.443 -13.348 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.060 -14.657 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.111 -13.670 6.282 1.00 0.00 H new ATOM 25 N GLU A 2 -12.675 -9.612 8.908 1.00 0.00 N ATOM 26 CA GLU A 2 -11.379 -9.605 8.265 1.00 0.00 C ATOM 27 C GLU A 2 -10.399 -8.754 9.071 1.00 0.00 C ATOM 28 O GLU A 2 -10.690 -7.601 9.383 1.00 0.00 O ATOM 29 CB GLU A 2 -11.490 -9.122 6.815 1.00 0.00 C ATOM 30 CG GLU A 2 -10.124 -9.203 6.120 1.00 0.00 C ATOM 31 CD GLU A 2 -9.548 -10.613 6.043 1.00 0.00 C ATOM 32 OE1 GLU A 2 -10.331 -11.547 5.772 1.00 0.00 O ATOM 33 OE2 GLU A 2 -8.324 -10.712 6.272 1.00 0.00 O ATOM 0 H GLU A 2 -13.438 -9.315 8.300 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.995 -10.625 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.216 -9.731 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.856 -8.096 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.218 -8.805 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.420 -8.563 6.651 1.00 0.00 H new ATOM 40 N SER A 3 -9.237 -9.324 9.388 1.00 0.00 N ATOM 41 CA SER A 3 -8.260 -8.699 10.264 1.00 0.00 C ATOM 42 C SER A 3 -6.875 -9.145 9.838 1.00 0.00 C ATOM 43 O SER A 3 -6.137 -9.812 10.557 1.00 0.00 O ATOM 44 CB SER A 3 -8.571 -9.065 11.708 1.00 0.00 C ATOM 45 OG SER A 3 -7.902 -8.184 12.594 1.00 0.00 O ATOM 0 H SER A 3 -8.950 -10.239 9.039 1.00 0.00 H new ATOM 0 HA SER A 3 -8.302 -7.612 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.646 -9.016 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.263 -10.092 11.904 1.00 0.00 H new ATOM 0 HG SER A 3 -8.112 -8.429 13.519 1.00 0.00 H new ATOM 51 N ALA A 4 -6.558 -8.755 8.614 1.00 0.00 N ATOM 52 CA ALA A 4 -5.306 -9.019 7.948 1.00 0.00 C ATOM 53 C ALA A 4 -5.409 -8.264 6.640 1.00 0.00 C ATOM 54 O ALA A 4 -4.750 -7.246 6.432 1.00 0.00 O ATOM 55 CB ALA A 4 -5.130 -10.526 7.708 1.00 0.00 C ATOM 0 H ALA A 4 -7.204 -8.219 8.034 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.443 -8.705 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.180 -10.706 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.139 -11.050 8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.946 -10.893 7.085 1.00 0.00 H new ATOM 61 N ALA A 5 -6.320 -8.732 5.789 1.00 0.00 N ATOM 62 CA ALA A 5 -6.345 -8.239 4.417 1.00 0.00 C ATOM 63 C ALA A 5 -6.923 -6.835 4.351 1.00 0.00 C ATOM 64 O ALA A 5 -6.358 -5.957 3.713 1.00 0.00 O ATOM 65 CB ALA A 5 -7.113 -9.202 3.518 1.00 0.00 C ATOM 0 H ALA A 5 -7.029 -9.430 6.016 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.319 -8.185 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.122 -8.819 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.630 -10.179 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.137 -9.298 3.878 1.00 0.00 H new ATOM 71 N ALA A 6 -8.039 -6.614 5.043 1.00 0.00 N ATOM 72 CA ALA A 6 -8.662 -5.308 5.170 1.00 0.00 C ATOM 73 C ALA A 6 -7.648 -4.288 5.684 1.00 0.00 C ATOM 74 O ALA A 6 -7.422 -3.266 5.052 1.00 0.00 O ATOM 75 CB ALA A 6 -9.883 -5.394 6.093 1.00 0.00 C ATOM 0 H ALA A 6 -8.540 -7.352 5.537 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.003 -4.977 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.342 -4.410 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.606 -6.096 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.570 -5.738 7.079 1.00 0.00 H new ATOM 81 N LYS A 7 -7.007 -4.574 6.819 1.00 0.00 N ATOM 82 CA LYS A 7 -6.052 -3.688 7.457 1.00 0.00 C ATOM 83 C LYS A 7 -4.896 -3.391 6.502 1.00 0.00 C ATOM 84 O LYS A 7 -4.488 -2.236 6.347 1.00 0.00 O ATOM 85 CB LYS A 7 -5.559 -4.362 8.743 1.00 0.00 C ATOM 86 CG LYS A 7 -6.685 -4.451 9.783 1.00 0.00 C ATOM 87 CD LYS A 7 -6.152 -4.739 11.191 1.00 0.00 C ATOM 88 CE LYS A 7 -5.339 -6.038 11.243 1.00 0.00 C ATOM 89 NZ LYS A 7 -5.037 -6.435 12.631 1.00 0.00 N ATOM 0 H LYS A 7 -7.146 -5.449 7.325 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.519 -2.736 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.189 -5.362 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.722 -3.799 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.243 -3.515 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.384 -5.236 9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.528 -3.908 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.987 -4.806 11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.894 -6.835 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.408 -5.908 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.486 -7.317 12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.486 -5.685 13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.925 -6.583 13.151 1.00 0.00 H new ATOM 103 N PHE A 8 -4.373 -4.444 5.867 1.00 0.00 N ATOM 104 CA PHE A 8 -3.366 -4.315 4.831 1.00 0.00 C ATOM 105 C PHE A 8 -3.837 -3.358 3.731 1.00 0.00 C ATOM 106 O PHE A 8 -3.134 -2.425 3.351 1.00 0.00 O ATOM 107 CB PHE A 8 -3.056 -5.693 4.237 1.00 0.00 C ATOM 108 CG PHE A 8 -1.947 -5.644 3.203 1.00 0.00 C ATOM 109 CD1 PHE A 8 -0.715 -5.047 3.533 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.204 -6.019 1.872 1.00 0.00 C ATOM 111 CE1 PHE A 8 0.238 -4.796 2.534 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.229 -5.810 0.880 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.005 -5.210 1.214 1.00 0.00 C ATOM 0 H PHE A 8 -4.642 -5.408 6.063 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.460 -3.903 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.771 -6.375 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.958 -6.099 3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.503 -4.781 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.151 -6.468 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.157 -4.285 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.422 -6.111 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.750 -5.067 0.456 1.00 0.00 H new ATOM 123 N GLU A 9 -5.041 -3.580 3.211 1.00 0.00 N ATOM 124 CA GLU A 9 -5.580 -2.813 2.118 1.00 0.00 C ATOM 125 C GLU A 9 -5.730 -1.360 2.562 1.00 0.00 C ATOM 126 O GLU A 9 -5.399 -0.443 1.822 1.00 0.00 O ATOM 127 CB GLU A 9 -6.923 -3.435 1.717 1.00 0.00 C ATOM 128 CG GLU A 9 -6.784 -4.229 0.412 1.00 0.00 C ATOM 129 CD GLU A 9 -7.966 -5.165 0.184 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.100 -4.752 0.516 1.00 0.00 O ATOM 131 OE2 GLU A 9 -7.710 -6.282 -0.315 1.00 0.00 O ATOM 0 H GLU A 9 -5.669 -4.309 3.549 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.920 -2.828 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.277 -4.091 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.670 -2.651 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.703 -3.537 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.862 -4.809 0.437 1.00 0.00 H new ATOM 138 N ARG A 10 -6.248 -1.110 3.757 1.00 0.00 N ATOM 139 CA ARG A 10 -6.459 0.249 4.204 1.00 0.00 C ATOM 140 C ARG A 10 -5.138 1.008 4.310 1.00 0.00 C ATOM 141 O ARG A 10 -5.054 2.143 3.836 1.00 0.00 O ATOM 142 CB ARG A 10 -7.323 0.259 5.463 1.00 0.00 C ATOM 143 CG ARG A 10 -8.768 -0.259 5.272 1.00 0.00 C ATOM 144 CD ARG A 10 -9.565 0.330 4.094 1.00 0.00 C ATOM 145 NE ARG A 10 -9.070 -0.160 2.797 1.00 0.00 N ATOM 146 CZ ARG A 10 -8.968 0.619 1.710 1.00 0.00 C ATOM 147 NH1 ARG A 10 -9.872 1.580 1.489 1.00 0.00 N ATOM 148 NH2 ARG A 10 -7.921 0.472 0.891 1.00 0.00 N ATOM 0 H ARG A 10 -6.526 -1.828 4.426 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.027 0.805 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.834 -0.348 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.367 1.278 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.728 -1.341 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.323 -0.064 6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.618 0.070 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.501 1.418 4.120 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.791 -1.138 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.639 1.720 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.795 2.173 0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.208 -0.228 1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.835 1.060 0.062 1.00 0.00 H new ATOM 162 N GLN A 11 -4.094 0.388 4.860 1.00 0.00 N ATOM 163 CA GLN A 11 -2.797 1.049 4.936 1.00 0.00 C ATOM 164 C GLN A 11 -2.036 1.038 3.600 1.00 0.00 C ATOM 165 O GLN A 11 -1.099 1.824 3.448 1.00 0.00 O ATOM 166 CB GLN A 11 -1.983 0.479 6.105 1.00 0.00 C ATOM 167 CG GLN A 11 -1.377 -0.895 5.806 1.00 0.00 C ATOM 168 CD GLN A 11 -1.018 -1.634 7.089 1.00 0.00 C ATOM 169 OE1 GLN A 11 0.145 -1.729 7.460 1.00 0.00 O ATOM 170 NE2 GLN A 11 -2.026 -2.171 7.764 1.00 0.00 N ATOM 0 H GLN A 11 -4.121 -0.553 5.252 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.969 2.106 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.182 1.175 6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.625 0.402 6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.085 -1.489 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.485 -0.775 5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.981 -2.069 7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.846 -2.686 8.626 1.00 0.00 H new ATOM 179 N HIS A 12 -2.393 0.159 2.649 1.00 0.00 N ATOM 180 CA HIS A 12 -1.570 -0.092 1.462 1.00 0.00 C ATOM 181 C HIS A 12 -2.320 -0.088 0.118 1.00 0.00 C ATOM 182 O HIS A 12 -1.751 -0.495 -0.895 1.00 0.00 O ATOM 183 CB HIS A 12 -0.782 -1.399 1.668 1.00 0.00 C ATOM 184 CG HIS A 12 0.658 -1.280 1.253 1.00 0.00 C ATOM 185 ND1 HIS A 12 1.674 -0.775 2.042 1.00 0.00 N ATOM 186 CD2 HIS A 12 1.171 -1.564 0.018 1.00 0.00 C ATOM 187 CE1 HIS A 12 2.793 -0.762 1.299 1.00 0.00 C ATOM 188 NE2 HIS A 12 2.508 -1.227 0.068 1.00 0.00 N ATOM 0 H HIS A 12 -3.252 -0.391 2.683 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.894 0.758 1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.831 -1.686 2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.256 -2.198 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.637 -1.971 -0.828 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.765 -0.432 1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.172 -1.316 -0.701 1.00 0.00 H new ATOM 197 N MET A 13 -3.574 0.378 0.052 1.00 0.00 N ATOM 198 CA MET A 13 -4.370 0.324 -1.174 1.00 0.00 C ATOM 199 C MET A 13 -5.330 1.513 -1.286 1.00 0.00 C ATOM 200 O MET A 13 -5.935 1.938 -0.301 1.00 0.00 O ATOM 201 CB MET A 13 -5.104 -1.029 -1.227 1.00 0.00 C ATOM 202 CG MET A 13 -5.867 -1.302 -2.523 1.00 0.00 C ATOM 203 SD MET A 13 -7.551 -0.658 -2.617 1.00 0.00 S ATOM 204 CE MET A 13 -8.014 -1.468 -4.160 1.00 0.00 C ATOM 0 H MET A 13 -4.060 0.800 0.843 1.00 0.00 H new ATOM 0 HA MET A 13 -3.709 0.402 -2.038 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.376 -1.826 -1.078 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.805 -1.077 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.295 -0.883 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.905 -2.381 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.040 -1.204 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.346 -1.141 -4.957 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.936 -2.549 -4.041 1.00 0.00 H new ATOM 214 N ASP A 14 -5.480 2.052 -2.498 1.00 0.00 N ATOM 215 CA ASP A 14 -6.517 3.008 -2.840 1.00 0.00 C ATOM 216 C ASP A 14 -6.774 2.967 -4.345 1.00 0.00 C ATOM 217 O ASP A 14 -6.078 3.635 -5.109 1.00 0.00 O ATOM 218 CB ASP A 14 -6.156 4.438 -2.414 1.00 0.00 C ATOM 219 CG ASP A 14 -7.372 5.339 -2.601 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.292 5.215 -1.760 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.377 6.106 -3.586 1.00 0.00 O ATOM 0 H ASP A 14 -4.867 1.826 -3.281 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.418 2.724 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.836 4.450 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.320 4.807 -3.008 1.00 0.00 H new ATOM 226 N SER A 15 -7.793 2.228 -4.783 1.00 0.00 N ATOM 227 CA SER A 15 -8.268 2.266 -6.157 1.00 0.00 C ATOM 228 C SER A 15 -8.948 3.617 -6.411 1.00 0.00 C ATOM 229 O SER A 15 -10.175 3.676 -6.479 1.00 0.00 O ATOM 230 CB SER A 15 -9.251 1.111 -6.345 1.00 0.00 C ATOM 231 OG SER A 15 -10.194 1.132 -5.292 1.00 0.00 O ATOM 0 H SER A 15 -8.312 1.583 -4.187 1.00 0.00 H new ATOM 0 HA SER A 15 -7.447 2.159 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.758 1.201 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.718 0.160 -6.354 1.00 0.00 H new ATOM 0 HG SER A 15 -10.625 2.011 -5.257 1.00 0.00 H new ATOM 237 N GLY A 16 -8.166 4.696 -6.482 1.00 0.00 N ATOM 238 CA GLY A 16 -8.676 6.050 -6.588 1.00 0.00 C ATOM 239 C GLY A 16 -8.938 6.414 -8.045 1.00 0.00 C ATOM 240 O GLY A 16 -9.813 5.846 -8.698 1.00 0.00 O ATOM 0 H GLY A 16 -7.147 4.645 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.598 6.143 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.959 6.749 -6.156 1.00 0.00 H new ATOM 244 N ASN A 17 -8.182 7.375 -8.576 1.00 0.00 N ATOM 245 CA ASN A 17 -8.349 7.817 -9.952 1.00 0.00 C ATOM 246 C ASN A 17 -7.075 8.496 -10.441 1.00 0.00 C ATOM 247 O ASN A 17 -6.025 8.333 -9.821 1.00 0.00 O ATOM 248 CB ASN A 17 -9.598 8.710 -10.060 1.00 0.00 C ATOM 249 CG ASN A 17 -10.518 8.202 -11.162 1.00 0.00 C ATOM 250 OD1 ASN A 17 -10.716 8.867 -12.171 1.00 0.00 O ATOM 251 ND2 ASN A 17 -11.063 7.005 -10.975 1.00 0.00 N ATOM 0 H ASN A 17 -7.445 7.862 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.514 6.963 -10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.130 8.719 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.301 9.738 -10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.674 6.606 -11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.871 6.485 -10.119 1.00 0.00 H new ATOM 258 N SER A 18 -7.156 9.219 -11.562 1.00 0.00 N ATOM 259 CA SER A 18 -6.049 9.960 -12.143 1.00 0.00 C ATOM 260 C SER A 18 -5.292 10.762 -11.076 1.00 0.00 C ATOM 261 O SER A 18 -5.935 11.400 -10.241 1.00 0.00 O ATOM 262 CB SER A 18 -6.633 10.899 -13.204 1.00 0.00 C ATOM 263 OG SER A 18 -7.598 10.184 -13.957 1.00 0.00 O ATOM 0 H SER A 18 -8.019 9.303 -12.099 1.00 0.00 H new ATOM 0 HA SER A 18 -5.332 9.270 -12.588 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.090 11.768 -12.730 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.843 11.271 -13.857 1.00 0.00 H new ATOM 0 HG SER A 18 -7.982 10.773 -14.640 1.00 0.00 H new ATOM 269 N PRO A 19 -3.949 10.769 -11.091 1.00 0.00 N ATOM 270 CA PRO A 19 -3.142 11.470 -10.102 1.00 0.00 C ATOM 271 C PRO A 19 -3.121 12.978 -10.394 1.00 0.00 C ATOM 272 O PRO A 19 -2.061 13.576 -10.565 1.00 0.00 O ATOM 273 CB PRO A 19 -1.757 10.820 -10.209 1.00 0.00 C ATOM 274 CG PRO A 19 -1.670 10.480 -11.696 1.00 0.00 C ATOM 275 CD PRO A 19 -3.098 10.042 -12.020 1.00 0.00 C ATOM 0 HA PRO A 19 -3.534 11.387 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.964 11.501 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.676 9.931 -9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.365 11.340 -12.292 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.948 9.686 -11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.355 10.276 -13.053 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.215 8.965 -11.899 1.00 0.00 H new ATOM 283 N SER A 20 -4.297 13.609 -10.440 1.00 0.00 N ATOM 284 CA SER A 20 -4.446 15.031 -10.711 1.00 0.00 C ATOM 285 C SER A 20 -3.907 15.895 -9.569 1.00 0.00 C ATOM 286 O SER A 20 -3.643 17.080 -9.761 1.00 0.00 O ATOM 287 CB SER A 20 -5.925 15.328 -10.959 1.00 0.00 C ATOM 288 OG SER A 20 -6.483 14.344 -11.816 1.00 0.00 O ATOM 0 H SER A 20 -5.185 13.132 -10.286 1.00 0.00 H new ATOM 0 HA SER A 20 -3.858 15.281 -11.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.464 15.345 -10.012 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.036 16.316 -11.406 1.00 0.00 H new ATOM 0 HG SER A 20 -7.431 14.542 -11.968 1.00 0.00 H new ATOM 294 N SER A 21 -3.778 15.299 -8.384 1.00 0.00 N ATOM 295 CA SER A 21 -3.332 15.925 -7.157 1.00 0.00 C ATOM 296 C SER A 21 -2.226 15.048 -6.578 1.00 0.00 C ATOM 297 O SER A 21 -2.399 13.833 -6.499 1.00 0.00 O ATOM 298 CB SER A 21 -4.519 16.007 -6.189 1.00 0.00 C ATOM 299 OG SER A 21 -5.558 16.775 -6.766 1.00 0.00 O ATOM 0 H SER A 21 -3.996 14.311 -8.256 1.00 0.00 H new ATOM 0 HA SER A 21 -2.955 16.933 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.881 15.005 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.202 16.457 -5.248 1.00 0.00 H new ATOM 0 HG SER A 21 -6.314 16.822 -6.144 1.00 0.00 H new ATOM 305 N SER A 22 -1.108 15.658 -6.181 1.00 0.00 N ATOM 306 CA SER A 22 0.009 14.963 -5.562 1.00 0.00 C ATOM 307 C SER A 22 -0.190 14.924 -4.040 1.00 0.00 C ATOM 308 O SER A 22 -1.121 14.276 -3.563 1.00 0.00 O ATOM 309 CB SER A 22 1.327 15.607 -6.019 1.00 0.00 C ATOM 310 OG SER A 22 1.344 15.653 -7.432 1.00 0.00 O ATOM 0 H SER A 22 -0.956 16.661 -6.284 1.00 0.00 H new ATOM 0 HA SER A 22 0.057 13.922 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.419 16.612 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.176 15.032 -5.650 1.00 0.00 H new ATOM 0 HG SER A 22 2.180 16.064 -7.736 1.00 0.00 H new ATOM 316 N SER A 23 0.670 15.595 -3.266 1.00 0.00 N ATOM 317 CA SER A 23 0.668 15.671 -1.810 1.00 0.00 C ATOM 318 C SER A 23 -0.742 15.687 -1.207 1.00 0.00 C ATOM 319 O SER A 23 -1.097 14.870 -0.352 1.00 0.00 O ATOM 320 CB SER A 23 1.456 16.939 -1.466 1.00 0.00 C ATOM 321 OG SER A 23 2.621 16.965 -2.279 1.00 0.00 O ATOM 0 H SER A 23 1.435 16.134 -3.672 1.00 0.00 H new ATOM 0 HA SER A 23 1.125 14.781 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.848 17.826 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.728 16.945 -0.410 1.00 0.00 H new ATOM 0 HG SER A 23 3.142 17.770 -2.078 1.00 0.00 H new ATOM 327 N ASN A 24 -1.563 16.621 -1.693 1.00 0.00 N ATOM 328 CA ASN A 24 -2.896 16.843 -1.160 1.00 0.00 C ATOM 329 C ASN A 24 -3.791 15.611 -1.266 1.00 0.00 C ATOM 330 O ASN A 24 -4.658 15.420 -0.423 1.00 0.00 O ATOM 331 CB ASN A 24 -3.551 18.057 -1.824 1.00 0.00 C ATOM 332 CG ASN A 24 -4.876 18.380 -1.138 1.00 0.00 C ATOM 333 OD1 ASN A 24 -4.896 18.701 0.045 1.00 0.00 O ATOM 334 ND2 ASN A 24 -5.989 18.299 -1.861 1.00 0.00 N ATOM 0 H ASN A 24 -1.317 17.240 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.778 17.047 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.884 18.917 -1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.720 17.855 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.891 18.507 -1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.940 18.029 -2.843 1.00 0.00 H new ATOM 341 N TYR A 25 -3.586 14.763 -2.278 1.00 0.00 N ATOM 342 CA TYR A 25 -4.371 13.546 -2.445 1.00 0.00 C ATOM 343 C TYR A 25 -4.207 12.659 -1.211 1.00 0.00 C ATOM 344 O TYR A 25 -5.176 12.120 -0.683 1.00 0.00 O ATOM 345 CB TYR A 25 -3.891 12.820 -3.710 1.00 0.00 C ATOM 346 CG TYR A 25 -4.770 11.752 -4.347 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.097 11.514 -3.929 1.00 0.00 C ATOM 348 CD2 TYR A 25 -4.272 11.072 -5.477 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.921 10.640 -4.661 1.00 0.00 C ATOM 350 CE2 TYR A 25 -5.093 10.186 -6.196 1.00 0.00 C ATOM 351 CZ TYR A 25 -6.425 9.985 -5.802 1.00 0.00 C ATOM 352 OH TYR A 25 -7.245 9.185 -6.544 1.00 0.00 O ATOM 0 H TYR A 25 -2.876 14.903 -2.997 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.429 13.787 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.700 13.579 -4.468 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.933 12.356 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.480 12.004 -3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.252 11.233 -5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.940 10.471 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.698 9.659 -7.052 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.555 9.676 -7.333 1.00 0.00 H new ATOM 362 N CYS A 26 -2.965 12.527 -0.745 1.00 0.00 N ATOM 363 CA CYS A 26 -2.616 11.647 0.362 1.00 0.00 C ATOM 364 C CYS A 26 -2.977 12.300 1.695 1.00 0.00 C ATOM 365 O CYS A 26 -3.571 11.668 2.572 1.00 0.00 O ATOM 366 CB CYS A 26 -1.133 11.315 0.297 1.00 0.00 C ATOM 367 SG CYS A 26 -0.555 10.349 1.701 1.00 0.00 S ATOM 0 H CYS A 26 -2.168 13.034 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.185 10.720 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.932 10.764 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.563 12.242 0.244 1.00 0.00 H new ATOM 372 N ASN A 27 -2.652 13.591 1.830 1.00 0.00 N ATOM 373 CA ASN A 27 -3.090 14.396 2.971 1.00 0.00 C ATOM 374 C ASN A 27 -4.606 14.285 3.156 1.00 0.00 C ATOM 375 O ASN A 27 -5.085 14.081 4.269 1.00 0.00 O ATOM 376 CB ASN A 27 -2.684 15.867 2.806 1.00 0.00 C ATOM 377 CG ASN A 27 -1.174 16.057 2.700 1.00 0.00 C ATOM 378 OD1 ASN A 27 -0.403 15.187 3.088 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.724 17.194 2.178 1.00 0.00 N ATOM 0 H ASN A 27 -2.082 14.102 1.156 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.595 14.006 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.160 16.272 1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.059 16.440 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.280 17.355 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.383 17.905 1.861 1.00 0.00 H new ATOM 386 N LEU A 28 -5.367 14.399 2.065 1.00 0.00 N ATOM 387 CA LEU A 28 -6.800 14.148 2.077 1.00 0.00 C ATOM 388 C LEU A 28 -7.061 12.709 2.517 1.00 0.00 C ATOM 389 O LEU A 28 -7.833 12.492 3.450 1.00 0.00 O ATOM 390 CB LEU A 28 -7.399 14.447 0.693 1.00 0.00 C ATOM 391 CG LEU A 28 -8.867 14.010 0.546 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.786 14.755 1.520 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.323 14.274 -0.894 1.00 0.00 C ATOM 0 H LEU A 28 -5.002 14.668 1.151 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.289 14.810 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.327 15.517 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.802 13.944 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.931 12.947 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.813 14.416 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.471 14.553 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.728 15.826 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.363 13.967 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.232 15.337 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.699 13.705 -1.583 1.00 0.00 H new ATOM 405 N MET A 29 -6.436 11.732 1.844 1.00 0.00 N ATOM 406 CA MET A 29 -6.652 10.311 2.087 1.00 0.00 C ATOM 407 C MET A 29 -6.688 9.994 3.580 1.00 0.00 C ATOM 408 O MET A 29 -7.665 9.427 4.053 1.00 0.00 O ATOM 409 CB MET A 29 -5.593 9.456 1.372 1.00 0.00 C ATOM 410 CG MET A 29 -6.107 8.045 1.054 1.00 0.00 C ATOM 411 SD MET A 29 -7.453 7.938 -0.159 1.00 0.00 S ATOM 412 CE MET A 29 -6.653 8.597 -1.643 1.00 0.00 C ATOM 0 H MET A 29 -5.757 11.917 1.106 1.00 0.00 H new ATOM 0 HA MET A 29 -7.628 10.058 1.672 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.294 9.949 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.703 9.385 1.997 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.270 7.449 0.691 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.445 7.586 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.295 8.429 -2.508 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.482 9.666 -1.520 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.699 8.092 -1.797 1.00 0.00 H new ATOM 422 N MET A 30 -5.652 10.374 4.337 1.00 0.00 N ATOM 423 CA MET A 30 -5.591 10.061 5.760 1.00 0.00 C ATOM 424 C MET A 30 -6.823 10.560 6.524 1.00 0.00 C ATOM 425 O MET A 30 -7.257 9.912 7.478 1.00 0.00 O ATOM 426 CB MET A 30 -4.290 10.579 6.390 1.00 0.00 C ATOM 427 CG MET A 30 -4.097 12.102 6.312 1.00 0.00 C ATOM 428 SD MET A 30 -3.165 12.822 7.687 1.00 0.00 S ATOM 429 CE MET A 30 -2.996 14.524 7.112 1.00 0.00 C ATOM 0 H MET A 30 -4.850 10.896 3.985 1.00 0.00 H new ATOM 0 HA MET A 30 -5.593 8.974 5.843 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.265 10.277 7.437 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.447 10.094 5.898 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.585 12.342 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.077 12.576 6.268 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.473 15.112 7.866 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.428 14.539 6.182 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.985 14.950 6.941 1.00 0.00 H new ATOM 439 N CYS A 31 -7.368 11.712 6.118 1.00 0.00 N ATOM 440 CA CYS A 31 -8.486 12.367 6.778 1.00 0.00 C ATOM 441 C CYS A 31 -9.792 11.721 6.334 1.00 0.00 C ATOM 442 O CYS A 31 -10.551 11.229 7.164 1.00 0.00 O ATOM 443 CB CYS A 31 -8.477 13.865 6.463 1.00 0.00 C ATOM 444 SG CYS A 31 -9.967 14.595 7.181 1.00 0.00 S ATOM 0 H CYS A 31 -7.031 12.221 5.301 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.392 12.249 7.858 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.585 14.336 6.876 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.454 14.028 5.385 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.988 15.871 6.932 1.00 0.00 H new ATOM 450 N CYS A 32 -10.032 11.666 5.021 1.00 0.00 N ATOM 451 CA CYS A 32 -11.222 11.045 4.444 1.00 0.00 C ATOM 452 C CYS A 32 -11.360 9.592 4.906 1.00 0.00 C ATOM 453 O CYS A 32 -12.421 9.163 5.353 1.00 0.00 O ATOM 454 CB CYS A 32 -11.147 11.120 2.918 1.00 0.00 C ATOM 455 SG CYS A 32 -12.572 10.243 2.234 1.00 0.00 S ATOM 0 H CYS A 32 -9.398 12.056 4.324 1.00 0.00 H new ATOM 0 HA CYS A 32 -12.104 11.587 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.147 12.159 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.219 10.673 2.561 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.531 10.295 0.936 1.00 0.00 H new ATOM 461 N ARG A 33 -10.257 8.847 4.830 1.00 0.00 N ATOM 462 CA ARG A 33 -10.158 7.469 5.288 1.00 0.00 C ATOM 463 C ARG A 33 -10.138 7.389 6.824 1.00 0.00 C ATOM 464 O ARG A 33 -10.331 6.315 7.389 1.00 0.00 O ATOM 465 CB ARG A 33 -8.889 6.856 4.673 1.00 0.00 C ATOM 466 CG ARG A 33 -8.904 5.326 4.666 1.00 0.00 C ATOM 467 CD ARG A 33 -9.683 4.743 3.479 1.00 0.00 C ATOM 468 NE ARG A 33 -8.941 4.832 2.212 1.00 0.00 N ATOM 469 CZ ARG A 33 -7.879 4.074 1.894 1.00 0.00 C ATOM 470 NH1 ARG A 33 -7.311 3.292 2.814 1.00 0.00 N ATOM 471 NH2 ARG A 33 -7.401 4.087 0.651 1.00 0.00 N ATOM 0 H ARG A 33 -9.385 9.200 4.436 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.033 6.905 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.777 7.217 3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.019 7.202 5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.879 4.958 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.346 4.968 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.920 3.699 3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.631 5.271 3.378 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.255 5.518 1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.683 3.268 3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.505 2.718 2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.841 4.672 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.594 3.512 0.409 1.00 0.00 H new ATOM 485 N LYS A 34 -9.886 8.513 7.502 1.00 0.00 N ATOM 486 CA LYS A 34 -9.858 8.649 8.951 1.00 0.00 C ATOM 487 C LYS A 34 -8.872 7.658 9.589 1.00 0.00 C ATOM 488 O LYS A 34 -9.172 7.021 10.597 1.00 0.00 O ATOM 489 CB LYS A 34 -11.292 8.569 9.507 1.00 0.00 C ATOM 490 CG LYS A 34 -11.615 9.604 10.598 1.00 0.00 C ATOM 491 CD LYS A 34 -10.877 9.405 11.933 1.00 0.00 C ATOM 492 CE LYS A 34 -9.526 10.130 11.989 1.00 0.00 C ATOM 493 NZ LYS A 34 -8.890 9.982 13.308 1.00 0.00 N ATOM 0 H LYS A 34 -9.687 9.393 7.026 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.474 9.632 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.994 8.697 8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.455 7.570 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.378 10.597 10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.688 9.584 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.508 9.762 12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.718 8.339 12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.866 9.732 11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.670 11.188 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.888 10.254 13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.372 10.595 13.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.960 8.992 13.618 1.00 0.00 H new ATOM 507 N MET A 35 -7.664 7.559 9.023 1.00 0.00 N ATOM 508 CA MET A 35 -6.643 6.616 9.477 1.00 0.00 C ATOM 509 C MET A 35 -5.581 7.260 10.361 1.00 0.00 C ATOM 510 O MET A 35 -4.614 6.600 10.735 1.00 0.00 O ATOM 511 CB MET A 35 -5.982 5.935 8.274 1.00 0.00 C ATOM 512 CG MET A 35 -6.912 4.911 7.627 1.00 0.00 C ATOM 513 SD MET A 35 -6.099 3.765 6.483 1.00 0.00 S ATOM 514 CE MET A 35 -5.112 2.780 7.637 1.00 0.00 C ATOM 0 H MET A 35 -7.369 8.134 8.234 1.00 0.00 H new ATOM 0 HA MET A 35 -7.154 5.875 10.091 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.701 6.688 7.538 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.063 5.443 8.593 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.398 4.334 8.414 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.698 5.442 7.090 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.795 1.858 7.150 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.234 3.349 7.943 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.712 2.539 8.515 1.00 0.00 H new ATOM 524 N THR A 36 -5.737 8.533 10.719 1.00 0.00 N ATOM 525 CA THR A 36 -4.784 9.174 11.607 1.00 0.00 C ATOM 526 C THR A 36 -4.808 8.483 12.976 1.00 0.00 C ATOM 527 O THR A 36 -3.769 8.175 13.555 1.00 0.00 O ATOM 528 CB THR A 36 -5.096 10.672 11.682 1.00 0.00 C ATOM 529 OG1 THR A 36 -6.383 10.916 12.212 1.00 0.00 O ATOM 530 CG2 THR A 36 -5.013 11.309 10.292 1.00 0.00 C ATOM 0 H THR A 36 -6.505 9.130 10.410 1.00 0.00 H new ATOM 0 HA THR A 36 -3.768 9.075 11.224 1.00 0.00 H new ATOM 0 HB THR A 36 -4.352 11.115 12.344 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.383 11.771 12.692 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.238 12.373 10.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.008 11.177 9.891 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.734 10.831 9.629 1.00 0.00 H new ATOM 538 N GLN A 37 -6.022 8.210 13.462 1.00 0.00 N ATOM 539 CA GLN A 37 -6.296 7.571 14.744 1.00 0.00 C ATOM 540 C GLN A 37 -5.421 8.201 15.839 1.00 0.00 C ATOM 541 O GLN A 37 -4.637 7.524 16.499 1.00 0.00 O ATOM 542 CB GLN A 37 -6.127 6.045 14.604 1.00 0.00 C ATOM 543 CG GLN A 37 -6.995 5.221 15.570 1.00 0.00 C ATOM 544 CD GLN A 37 -6.648 5.423 17.042 1.00 0.00 C ATOM 545 OE1 GLN A 37 -5.800 4.727 17.589 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.321 6.358 17.710 1.00 0.00 N ATOM 0 H GLN A 37 -6.873 8.439 12.949 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.328 7.740 15.050 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.369 5.757 13.581 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.080 5.791 14.768 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.042 5.483 15.415 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.891 4.164 15.324 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.021 6.923 17.230 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.136 6.509 18.702 1.00 0.00 H new ATOM 555 N GLY A 38 -5.506 9.524 15.997 1.00 0.00 N ATOM 556 CA GLY A 38 -4.732 10.255 16.996 1.00 0.00 C ATOM 557 C GLY A 38 -3.267 10.457 16.587 1.00 0.00 C ATOM 558 O GLY A 38 -2.708 11.524 16.823 1.00 0.00 O ATOM 0 H GLY A 38 -6.115 10.117 15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.194 11.228 17.165 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.768 9.716 17.942 1.00 0.00 H new ATOM 562 N LYS A 39 -2.646 9.438 15.991 1.00 0.00 N ATOM 563 CA LYS A 39 -1.324 9.508 15.390 1.00 0.00 C ATOM 564 C LYS A 39 -1.468 9.999 13.948 1.00 0.00 C ATOM 565 O LYS A 39 -2.395 10.738 13.622 1.00 0.00 O ATOM 566 CB LYS A 39 -0.649 8.134 15.522 1.00 0.00 C ATOM 567 CG LYS A 39 -0.629 7.678 16.989 1.00 0.00 C ATOM 568 CD LYS A 39 0.185 6.388 17.143 1.00 0.00 C ATOM 569 CE LYS A 39 0.337 5.995 18.618 1.00 0.00 C ATOM 570 NZ LYS A 39 -0.964 5.732 19.258 1.00 0.00 N ATOM 0 H LYS A 39 -3.068 8.513 15.914 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.676 10.222 15.899 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.182 7.402 14.916 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.370 8.185 15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.200 8.462 17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.648 7.515 17.339 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.304 5.580 16.598 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.171 6.522 16.697 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.964 5.106 18.693 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.850 6.793 19.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.810 5.372 20.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.514 6.613 19.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.487 5.024 18.704 1.00 0.00 H new ATOM 584 N CYS A 40 -0.542 9.603 13.076 1.00 0.00 N ATOM 585 CA CYS A 40 -0.591 9.862 11.649 1.00 0.00 C ATOM 586 C CYS A 40 0.347 8.880 10.948 1.00 0.00 C ATOM 587 O CYS A 40 1.081 8.166 11.631 1.00 0.00 O ATOM 588 CB CYS A 40 -0.253 11.325 11.380 1.00 0.00 C ATOM 589 SG CYS A 40 1.406 11.736 10.807 1.00 0.00 S ATOM 0 H CYS A 40 0.286 9.078 13.358 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.592 9.703 11.248 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.961 11.697 10.639 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.433 11.881 12.300 1.00 0.00 H new ATOM 594 N LYS A 41 0.297 8.801 9.613 1.00 0.00 N ATOM 595 CA LYS A 41 0.999 7.781 8.836 1.00 0.00 C ATOM 596 C LYS A 41 2.214 8.395 8.124 1.00 0.00 C ATOM 597 O LYS A 41 2.059 8.946 7.038 1.00 0.00 O ATOM 598 CB LYS A 41 0.028 7.066 7.876 1.00 0.00 C ATOM 599 CG LYS A 41 -0.898 7.979 7.053 1.00 0.00 C ATOM 600 CD LYS A 41 -1.642 7.203 5.957 1.00 0.00 C ATOM 601 CE LYS A 41 -2.566 6.121 6.530 1.00 0.00 C ATOM 602 NZ LYS A 41 -3.390 5.503 5.476 1.00 0.00 N ATOM 0 H LYS A 41 -0.239 9.452 9.039 1.00 0.00 H new ATOM 0 HA LYS A 41 1.385 7.014 9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.612 6.457 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.591 6.383 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.621 8.454 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.310 8.776 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.230 7.899 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.917 6.740 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.969 5.354 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.213 6.559 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.179 4.984 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.766 6.244 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.807 4.844 4.921 1.00 0.00 H new ATOM 616 N PRO A 42 3.429 8.331 8.698 1.00 0.00 N ATOM 617 CA PRO A 42 4.583 9.041 8.159 1.00 0.00 C ATOM 618 C PRO A 42 4.970 8.554 6.760 1.00 0.00 C ATOM 619 O PRO A 42 5.391 9.357 5.930 1.00 0.00 O ATOM 620 CB PRO A 42 5.714 8.827 9.170 1.00 0.00 C ATOM 621 CG PRO A 42 5.326 7.536 9.886 1.00 0.00 C ATOM 622 CD PRO A 42 3.801 7.602 9.901 1.00 0.00 C ATOM 0 HA PRO A 42 4.359 10.100 8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.681 8.734 8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.791 9.662 9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.687 6.655 9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.739 7.493 10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.365 6.603 9.904 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.439 8.110 10.795 1.00 0.00 H new ATOM 630 N VAL A 43 4.857 7.247 6.509 1.00 0.00 N ATOM 631 CA VAL A 43 5.164 6.619 5.233 1.00 0.00 C ATOM 632 C VAL A 43 4.077 5.585 4.951 1.00 0.00 C ATOM 633 O VAL A 43 3.710 4.840 5.859 1.00 0.00 O ATOM 634 CB VAL A 43 6.560 5.972 5.293 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.839 5.082 4.074 1.00 0.00 C ATOM 636 CG2 VAL A 43 7.661 7.036 5.403 1.00 0.00 C ATOM 0 H VAL A 43 4.539 6.581 7.213 1.00 0.00 H new ATOM 0 HA VAL A 43 5.182 7.353 4.427 1.00 0.00 H new ATOM 0 HB VAL A 43 6.569 5.347 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.835 4.648 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.098 4.284 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.783 5.681 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.635 6.549 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.620 7.693 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.511 7.623 6.309 1.00 0.00 H new ATOM 646 N ASN A 44 3.571 5.520 3.714 1.00 0.00 N ATOM 647 CA ASN A 44 2.716 4.430 3.254 1.00 0.00 C ATOM 648 C ASN A 44 2.714 4.407 1.721 1.00 0.00 C ATOM 649 O ASN A 44 3.322 5.273 1.091 1.00 0.00 O ATOM 650 CB ASN A 44 1.303 4.500 3.872 1.00 0.00 C ATOM 651 CG ASN A 44 0.274 5.174 2.970 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.282 6.388 2.801 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.630 4.389 2.394 1.00 0.00 N ATOM 0 H ASN A 44 3.747 6.229 3.002 1.00 0.00 H new ATOM 0 HA ASN A 44 3.121 3.480 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.966 3.489 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.355 5.041 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.346 4.793 1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.608 3.382 2.556 1.00 0.00 H new ATOM 660 N THR A 45 2.055 3.415 1.117 1.00 0.00 N ATOM 661 CA THR A 45 2.049 3.235 -0.327 1.00 0.00 C ATOM 662 C THR A 45 0.700 2.672 -0.748 1.00 0.00 C ATOM 663 O THR A 45 0.454 1.485 -0.567 1.00 0.00 O ATOM 664 CB THR A 45 3.189 2.284 -0.720 1.00 0.00 C ATOM 665 OG1 THR A 45 4.427 2.709 -0.184 1.00 0.00 O ATOM 666 CG2 THR A 45 3.297 2.099 -2.236 1.00 0.00 C ATOM 0 H THR A 45 1.511 2.715 1.622 1.00 0.00 H new ATOM 0 HA THR A 45 2.204 4.188 -0.833 1.00 0.00 H new ATOM 0 HB THR A 45 2.942 1.314 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.923 3.211 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.118 1.418 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.365 1.684 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.485 3.063 -2.708 1.00 0.00 H new ATOM 674 N PHE A 46 -0.178 3.502 -1.310 1.00 0.00 N ATOM 675 CA PHE A 46 -1.485 3.040 -1.745 1.00 0.00 C ATOM 676 C PHE A 46 -1.360 2.424 -3.142 1.00 0.00 C ATOM 677 O PHE A 46 -1.191 3.156 -4.118 1.00 0.00 O ATOM 678 CB PHE A 46 -2.486 4.200 -1.726 1.00 0.00 C ATOM 679 CG PHE A 46 -2.689 4.870 -0.378 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.493 4.259 0.604 1.00 0.00 C ATOM 681 CD2 PHE A 46 -2.144 6.146 -0.135 1.00 0.00 C ATOM 682 CE1 PHE A 46 -3.788 4.936 1.800 1.00 0.00 C ATOM 683 CE2 PHE A 46 -2.436 6.821 1.063 1.00 0.00 C ATOM 684 CZ PHE A 46 -3.266 6.221 2.025 1.00 0.00 C ATOM 0 H PHE A 46 -0.004 4.494 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.858 2.276 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.155 4.954 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.450 3.831 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.884 3.266 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.501 6.606 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.415 4.469 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.022 7.802 1.244 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.503 6.748 2.938 1.00 0.00 H new ATOM 694 N VAL A 47 -1.437 1.093 -3.260 1.00 0.00 N ATOM 695 CA VAL A 47 -1.556 0.448 -4.568 1.00 0.00 C ATOM 696 C VAL A 47 -2.866 0.911 -5.212 1.00 0.00 C ATOM 697 O VAL A 47 -3.878 0.972 -4.514 1.00 0.00 O ATOM 698 CB VAL A 47 -1.476 -1.090 -4.427 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.793 -1.789 -4.085 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.948 -1.734 -5.716 1.00 0.00 C ATOM 0 H VAL A 47 -1.419 0.448 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.728 0.736 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.799 -1.230 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.626 -2.863 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.168 -1.412 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.525 -1.590 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.902 -2.816 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.616 -1.493 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.049 -1.351 -5.932 1.00 0.00 H new ATOM 710 N HIS A 48 -2.878 1.256 -6.505 1.00 0.00 N ATOM 711 CA HIS A 48 -4.140 1.568 -7.170 1.00 0.00 C ATOM 712 C HIS A 48 -4.811 0.260 -7.603 1.00 0.00 C ATOM 713 O HIS A 48 -5.154 -0.569 -6.762 1.00 0.00 O ATOM 714 CB HIS A 48 -3.905 2.579 -8.301 1.00 0.00 C ATOM 715 CG HIS A 48 -5.153 3.248 -8.845 1.00 0.00 C ATOM 716 ND1 HIS A 48 -6.399 2.675 -9.069 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.238 4.571 -9.177 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.220 3.645 -9.507 1.00 0.00 C ATOM 719 NE2 HIS A 48 -6.532 4.800 -9.587 1.00 0.00 N ATOM 0 H HIS A 48 -2.049 1.324 -7.096 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.837 2.060 -6.492 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.227 3.352 -7.939 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.399 2.070 -9.121 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.646 1.696 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.441 5.299 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.264 3.518 -9.755 1.00 0.00 H new ATOM 728 N GLU A 49 -5.001 0.064 -8.911 1.00 0.00 N ATOM 729 CA GLU A 49 -5.727 -1.071 -9.462 1.00 0.00 C ATOM 730 C GLU A 49 -7.145 -1.078 -8.888 1.00 0.00 C ATOM 731 O GLU A 49 -7.668 -0.006 -8.574 1.00 0.00 O ATOM 732 CB GLU A 49 -4.953 -2.379 -9.222 1.00 0.00 C ATOM 733 CG GLU A 49 -3.432 -2.245 -9.391 1.00 0.00 C ATOM 734 CD GLU A 49 -3.020 -1.590 -10.708 1.00 0.00 C ATOM 735 OE1 GLU A 49 -3.597 -1.981 -11.744 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.125 -0.716 -10.654 1.00 0.00 O ATOM 0 H GLU A 49 -4.647 0.703 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.816 -0.982 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.166 -2.736 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.320 -3.138 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.033 -1.660 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.979 -3.235 -9.329 1.00 0.00 H new ATOM 743 N SER A 50 -7.723 -2.272 -8.735 1.00 0.00 N ATOM 744 CA SER A 50 -8.964 -2.531 -8.024 1.00 0.00 C ATOM 745 C SER A 50 -8.795 -3.797 -7.180 1.00 0.00 C ATOM 746 O SER A 50 -7.911 -4.612 -7.448 1.00 0.00 O ATOM 747 CB SER A 50 -10.118 -2.665 -9.021 1.00 0.00 C ATOM 748 OG SER A 50 -10.243 -1.471 -9.768 1.00 0.00 O ATOM 0 H SER A 50 -7.314 -3.121 -9.125 1.00 0.00 H new ATOM 0 HA SER A 50 -9.201 -1.700 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.938 -3.507 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.047 -2.873 -8.491 1.00 0.00 H new ATOM 0 HG SER A 50 -10.981 -1.560 -10.406 1.00 0.00 H new ATOM 754 N LEU A 51 -9.652 -3.952 -6.163 1.00 0.00 N ATOM 755 CA LEU A 51 -9.627 -5.043 -5.191 1.00 0.00 C ATOM 756 C LEU A 51 -9.342 -6.397 -5.846 1.00 0.00 C ATOM 757 O LEU A 51 -8.435 -7.114 -5.431 1.00 0.00 O ATOM 758 CB LEU A 51 -10.965 -5.053 -4.436 1.00 0.00 C ATOM 759 CG LEU A 51 -11.122 -6.210 -3.434 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.017 -6.190 -2.376 1.00 0.00 C ATOM 761 CD2 LEU A 51 -12.482 -6.093 -2.737 1.00 0.00 C ATOM 0 H LEU A 51 -10.411 -3.292 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.809 -4.875 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.074 -4.109 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.777 -5.104 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.052 -7.148 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.160 -7.021 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.046 -6.285 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.057 -5.250 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.598 -6.911 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.539 -5.142 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.277 -6.143 -3.481 1.00 0.00 H new ATOM 773 N ALA A 52 -10.113 -6.740 -6.882 1.00 0.00 N ATOM 774 CA ALA A 52 -9.960 -7.998 -7.594 1.00 0.00 C ATOM 775 C ALA A 52 -8.520 -8.214 -8.067 1.00 0.00 C ATOM 776 O ALA A 52 -7.978 -9.306 -7.917 1.00 0.00 O ATOM 777 CB ALA A 52 -10.940 -8.048 -8.769 1.00 0.00 C ATOM 0 H ALA A 52 -10.860 -6.148 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.189 -8.811 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.823 -8.992 -9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.961 -7.966 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.735 -7.221 -9.449 1.00 0.00 H new ATOM 783 N ASP A 53 -7.888 -7.175 -8.620 1.00 0.00 N ATOM 784 CA ASP A 53 -6.516 -7.263 -9.096 1.00 0.00 C ATOM 785 C ASP A 53 -5.586 -7.489 -7.910 1.00 0.00 C ATOM 786 O ASP A 53 -4.708 -8.347 -7.952 1.00 0.00 O ATOM 787 CB ASP A 53 -6.114 -5.980 -9.829 1.00 0.00 C ATOM 788 CG ASP A 53 -7.087 -5.614 -10.943 1.00 0.00 C ATOM 789 OD1 ASP A 53 -6.930 -6.176 -12.048 1.00 0.00 O ATOM 790 OD2 ASP A 53 -7.973 -4.780 -10.655 1.00 0.00 O ATOM 0 H ASP A 53 -8.315 -6.257 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.438 -8.097 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.060 -5.159 -9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.116 -6.103 -10.249 1.00 0.00 H new ATOM 795 N VAL A 54 -5.782 -6.708 -6.845 1.00 0.00 N ATOM 796 CA VAL A 54 -4.957 -6.805 -5.647 1.00 0.00 C ATOM 797 C VAL A 54 -5.027 -8.228 -5.085 1.00 0.00 C ATOM 798 O VAL A 54 -4.005 -8.801 -4.710 1.00 0.00 O ATOM 799 CB VAL A 54 -5.371 -5.727 -4.629 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.642 -5.895 -3.289 1.00 0.00 C ATOM 801 CG2 VAL A 54 -5.068 -4.337 -5.203 1.00 0.00 C ATOM 0 H VAL A 54 -6.512 -5.997 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.912 -6.612 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.440 -5.836 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.963 -5.114 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.878 -6.872 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.566 -5.819 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.361 -3.574 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.001 -4.252 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.627 -4.196 -6.128 1.00 0.00 H new ATOM 811 N LYS A 55 -6.221 -8.827 -5.049 1.00 0.00 N ATOM 812 CA LYS A 55 -6.344 -10.214 -4.632 1.00 0.00 C ATOM 813 C LYS A 55 -5.676 -11.148 -5.645 1.00 0.00 C ATOM 814 O LYS A 55 -4.940 -12.049 -5.251 1.00 0.00 O ATOM 815 CB LYS A 55 -7.809 -10.597 -4.355 1.00 0.00 C ATOM 816 CG LYS A 55 -7.997 -11.255 -2.976 1.00 0.00 C ATOM 817 CD LYS A 55 -7.127 -12.500 -2.728 1.00 0.00 C ATOM 818 CE LYS A 55 -7.448 -13.680 -3.651 1.00 0.00 C ATOM 819 NZ LYS A 55 -6.447 -14.750 -3.496 1.00 0.00 N ATOM 0 H LYS A 55 -7.100 -8.376 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.814 -10.331 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.432 -9.705 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.155 -11.281 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.778 -10.517 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.045 -11.533 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.079 -12.229 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.252 -12.817 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.441 -14.068 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.469 -13.342 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.868 -15.661 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.629 -14.551 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.137 -14.794 -2.504 1.00 0.00 H new ATOM 833 N ALA A 56 -5.907 -10.940 -6.945 1.00 0.00 N ATOM 834 CA ALA A 56 -5.282 -11.746 -7.987 1.00 0.00 C ATOM 835 C ALA A 56 -3.769 -11.825 -7.775 1.00 0.00 C ATOM 836 O ALA A 56 -3.217 -12.922 -7.772 1.00 0.00 O ATOM 837 CB ALA A 56 -5.633 -11.217 -9.382 1.00 0.00 C ATOM 0 H ALA A 56 -6.529 -10.213 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.679 -12.759 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.153 -11.838 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.714 -11.247 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.283 -10.190 -9.480 1.00 0.00 H new ATOM 843 N VAL A 57 -3.113 -10.682 -7.544 1.00 0.00 N ATOM 844 CA VAL A 57 -1.682 -10.595 -7.254 1.00 0.00 C ATOM 845 C VAL A 57 -1.245 -11.598 -6.179 1.00 0.00 C ATOM 846 O VAL A 57 -0.217 -12.256 -6.332 1.00 0.00 O ATOM 847 CB VAL A 57 -1.307 -9.153 -6.871 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.105 -9.068 -6.278 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.349 -8.242 -8.104 1.00 0.00 C ATOM 0 H VAL A 57 -3.575 -9.773 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.140 -10.865 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.034 -8.831 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.330 -8.033 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.161 -9.685 -5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.829 -9.426 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.081 -7.226 -7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.642 -8.606 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.354 -8.246 -8.525 1.00 0.00 H new ATOM 859 N CYS A 58 -2.018 -11.731 -5.094 1.00 0.00 N ATOM 860 CA CYS A 58 -1.701 -12.689 -4.035 1.00 0.00 C ATOM 861 C CYS A 58 -1.541 -14.110 -4.585 1.00 0.00 C ATOM 862 O CYS A 58 -0.788 -14.905 -4.036 1.00 0.00 O ATOM 863 CB CYS A 58 -2.777 -12.663 -2.943 1.00 0.00 C ATOM 864 SG CYS A 58 -2.549 -13.890 -1.638 1.00 0.00 S ATOM 0 H CYS A 58 -2.865 -11.187 -4.929 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.747 -12.390 -3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.795 -11.671 -2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.751 -12.821 -3.406 1.00 0.00 H new ATOM 869 N SER A 59 -2.228 -14.422 -5.688 1.00 0.00 N ATOM 870 CA SER A 59 -2.125 -15.688 -6.398 1.00 0.00 C ATOM 871 C SER A 59 -1.406 -15.479 -7.740 1.00 0.00 C ATOM 872 O SER A 59 -1.886 -15.926 -8.782 1.00 0.00 O ATOM 873 CB SER A 59 -3.537 -16.270 -6.563 1.00 0.00 C ATOM 874 OG SER A 59 -3.487 -17.668 -6.781 1.00 0.00 O ATOM 0 H SER A 59 -2.890 -13.777 -6.120 1.00 0.00 H new ATOM 0 HA SER A 59 -1.528 -16.405 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.128 -16.058 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.038 -15.785 -7.401 1.00 0.00 H new ATOM 0 HG SER A 59 -4.398 -18.016 -6.882 1.00 0.00 H new ATOM 880 N GLN A 60 -0.260 -14.784 -7.734 1.00 0.00 N ATOM 881 CA GLN A 60 0.641 -14.712 -8.885 1.00 0.00 C ATOM 882 C GLN A 60 1.985 -15.382 -8.575 1.00 0.00 C ATOM 883 O GLN A 60 2.013 -16.556 -8.202 1.00 0.00 O ATOM 884 CB GLN A 60 0.749 -13.276 -9.426 1.00 0.00 C ATOM 885 CG GLN A 60 -0.565 -12.773 -10.035 1.00 0.00 C ATOM 886 CD GLN A 60 -0.939 -13.476 -11.337 1.00 0.00 C ATOM 887 OE1 GLN A 60 -0.601 -13.000 -12.415 1.00 0.00 O ATOM 888 NE2 GLN A 60 -1.640 -14.603 -11.260 1.00 0.00 N ATOM 0 H GLN A 60 0.066 -14.255 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 60 0.214 -15.288 -9.706 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.049 -12.609 -8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.534 -13.235 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.369 -12.912 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.485 -11.702 -10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.907 -14.976 -10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.910 -15.095 -12.112 1.00 0.00 H new ATOM 897 N LYS A 61 3.109 -14.690 -8.776 1.00 0.00 N ATOM 898 CA LYS A 61 4.408 -15.344 -8.798 1.00 0.00 C ATOM 899 C LYS A 61 4.941 -15.495 -7.381 1.00 0.00 C ATOM 900 O LYS A 61 5.616 -14.614 -6.849 1.00 0.00 O ATOM 901 CB LYS A 61 5.329 -14.540 -9.707 1.00 0.00 C ATOM 902 CG LYS A 61 6.767 -15.066 -9.785 1.00 0.00 C ATOM 903 CD LYS A 61 7.521 -14.294 -10.877 1.00 0.00 C ATOM 904 CE LYS A 61 9.033 -14.529 -10.811 1.00 0.00 C ATOM 905 NZ LYS A 61 9.635 -13.900 -9.620 1.00 0.00 N ATOM 0 H LYS A 61 3.140 -13.681 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 61 4.337 -16.354 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.906 -14.527 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.352 -13.508 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.266 -14.943 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.766 -16.133 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.150 -14.597 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.316 -13.228 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.234 -15.600 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.502 -14.129 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.672 -13.949 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.338 -12.905 -9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.320 -14.402 -8.766 1.00 0.00 H new ATOM 919 N LYS A 62 4.655 -16.652 -6.796 1.00 0.00 N ATOM 920 CA LYS A 62 5.120 -17.010 -5.466 1.00 0.00 C ATOM 921 C LYS A 62 6.650 -16.994 -5.427 1.00 0.00 C ATOM 922 O LYS A 62 7.292 -17.562 -6.310 1.00 0.00 O ATOM 923 CB LYS A 62 4.571 -18.381 -5.050 1.00 0.00 C ATOM 924 CG LYS A 62 4.783 -18.602 -3.542 1.00 0.00 C ATOM 925 CD LYS A 62 4.169 -19.921 -3.057 1.00 0.00 C ATOM 926 CE LYS A 62 4.979 -21.134 -3.532 1.00 0.00 C ATOM 927 NZ LYS A 62 4.466 -22.385 -2.945 1.00 0.00 N ATOM 0 H LYS A 62 4.087 -17.375 -7.239 1.00 0.00 H new ATOM 0 HA LYS A 62 4.748 -16.275 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.509 -18.444 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.071 -19.168 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.851 -18.598 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.341 -17.773 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.120 -19.920 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.145 -20.002 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.939 -21.197 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.026 -21.004 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.034 -23.187 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.527 -22.333 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.474 -22.520 -3.227 1.00 0.00 H new ATOM 941 N VAL A 63 7.228 -16.370 -4.398 1.00 0.00 N ATOM 942 CA VAL A 63 8.653 -16.399 -4.112 1.00 0.00 C ATOM 943 C VAL A 63 8.835 -16.432 -2.595 1.00 0.00 C ATOM 944 O VAL A 63 7.959 -15.987 -1.856 1.00 0.00 O ATOM 945 CB VAL A 63 9.380 -15.190 -4.738 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.355 -15.235 -6.270 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.815 -13.842 -4.268 1.00 0.00 C ATOM 0 H VAL A 63 6.697 -15.817 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 63 9.097 -17.289 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 63 10.410 -15.269 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.878 -14.365 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.847 -16.144 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.322 -15.228 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.367 -13.031 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.762 -13.773 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.914 -13.764 -3.185 1.00 0.00 H new ATOM 957 N THR A 64 9.958 -16.947 -2.101 1.00 0.00 N ATOM 958 CA THR A 64 10.293 -16.797 -0.694 1.00 0.00 C ATOM 959 C THR A 64 10.570 -15.313 -0.438 1.00 0.00 C ATOM 960 O THR A 64 11.290 -14.688 -1.214 1.00 0.00 O ATOM 961 CB THR A 64 11.511 -17.661 -0.362 1.00 0.00 C ATOM 962 OG1 THR A 64 11.395 -18.910 -1.017 1.00 0.00 O ATOM 963 CG2 THR A 64 11.630 -17.885 1.149 1.00 0.00 C ATOM 0 H THR A 64 10.643 -17.466 -2.650 1.00 0.00 H new ATOM 0 HA THR A 64 9.474 -17.127 -0.054 1.00 0.00 H new ATOM 0 HB THR A 64 12.406 -17.142 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.176 -19.464 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.504 -18.502 1.358 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.736 -16.924 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.735 -18.389 1.514 1.00 0.00 H new ATOM 971 N CYS A 65 10.002 -14.732 0.621 1.00 0.00 N ATOM 972 CA CYS A 65 10.311 -13.361 0.986 1.00 0.00 C ATOM 973 C CYS A 65 11.788 -13.238 1.350 1.00 0.00 C ATOM 974 O CYS A 65 12.431 -14.227 1.699 1.00 0.00 O ATOM 975 CB CYS A 65 9.468 -12.940 2.191 1.00 0.00 C ATOM 976 SG CYS A 65 7.677 -12.859 1.970 1.00 0.00 S ATOM 0 H CYS A 65 9.330 -15.193 1.234 1.00 0.00 H new ATOM 0 HA CYS A 65 10.087 -12.716 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 65 9.675 -13.634 3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 65 9.812 -11.958 2.515 1.00 0.00 H new ATOM 981 N LYS A 66 12.309 -12.006 1.346 1.00 0.00 N ATOM 982 CA LYS A 66 13.672 -11.709 1.783 1.00 0.00 C ATOM 983 C LYS A 66 13.947 -12.241 3.197 1.00 0.00 C ATOM 984 O LYS A 66 15.076 -12.591 3.524 1.00 0.00 O ATOM 985 CB LYS A 66 13.954 -10.205 1.657 1.00 0.00 C ATOM 986 CG LYS A 66 13.023 -9.317 2.499 1.00 0.00 C ATOM 987 CD LYS A 66 13.370 -7.842 2.259 1.00 0.00 C ATOM 988 CE LYS A 66 12.497 -6.903 3.100 1.00 0.00 C ATOM 989 NZ LYS A 66 11.085 -6.929 2.677 1.00 0.00 N ATOM 0 H LYS A 66 11.791 -11.184 1.037 1.00 0.00 H new ATOM 0 HA LYS A 66 14.366 -12.233 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.986 -10.014 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.864 -9.916 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.983 -9.505 2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.129 -9.560 3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.420 -7.673 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.242 -7.607 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.566 -7.189 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.880 -5.885 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.515 -6.360 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.003 -6.536 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.740 -7.910 2.680 1.00 0.00 H new ATOM 1003 N ASP A 67 12.897 -12.335 4.020 1.00 0.00 N ATOM 1004 CA ASP A 67 12.922 -12.940 5.347 1.00 0.00 C ATOM 1005 C ASP A 67 13.461 -14.377 5.342 1.00 0.00 C ATOM 1006 O ASP A 67 13.878 -14.871 6.385 1.00 0.00 O ATOM 1007 CB ASP A 67 11.519 -12.922 5.955 1.00 0.00 C ATOM 1008 CG ASP A 67 10.891 -11.533 5.977 1.00 0.00 C ATOM 1009 OD1 ASP A 67 10.516 -11.068 4.877 1.00 0.00 O ATOM 1010 OD2 ASP A 67 10.798 -10.960 7.084 1.00 0.00 O ATOM 0 H ASP A 67 11.976 -11.978 3.767 1.00 0.00 H new ATOM 0 HA ASP A 67 13.605 -12.343 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.876 -13.595 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.566 -13.308 6.973 1.00 0.00 H new ATOM 1015 N GLY A 68 13.399 -15.074 4.202 1.00 0.00 N ATOM 1016 CA GLY A 68 13.803 -16.468 4.100 1.00 0.00 C ATOM 1017 C GLY A 68 12.866 -17.351 4.920 1.00 0.00 C ATOM 1018 O GLY A 68 13.311 -18.276 5.594 1.00 0.00 O ATOM 0 H GLY A 68 13.064 -14.679 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.790 -16.782 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.827 -16.584 4.455 1.00 0.00 H new ATOM 1022 N GLN A 69 11.564 -17.045 4.878 1.00 0.00 N ATOM 1023 CA GLN A 69 10.569 -17.670 5.734 1.00 0.00 C ATOM 1024 C GLN A 69 9.199 -17.644 5.056 1.00 0.00 C ATOM 1025 O GLN A 69 8.660 -18.682 4.684 1.00 0.00 O ATOM 1026 CB GLN A 69 10.562 -16.933 7.081 1.00 0.00 C ATOM 1027 CG GLN A 69 9.636 -17.596 8.110 1.00 0.00 C ATOM 1028 CD GLN A 69 9.561 -16.780 9.396 1.00 0.00 C ATOM 1029 OE1 GLN A 69 8.496 -16.306 9.775 1.00 0.00 O ATOM 1030 NE2 GLN A 69 10.690 -16.598 10.074 1.00 0.00 N ATOM 0 H GLN A 69 11.176 -16.350 4.241 1.00 0.00 H new ATOM 0 HA GLN A 69 10.813 -18.718 5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.576 -16.900 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.247 -15.901 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.637 -17.704 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.998 -18.599 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.561 -17.005 9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.685 -16.051 10.935 1.00 0.00 H new ATOM 1039 N THR A 70 8.616 -16.452 4.928 1.00 0.00 N ATOM 1040 CA THR A 70 7.272 -16.242 4.463 1.00 0.00 C ATOM 1041 C THR A 70 7.191 -16.396 2.944 1.00 0.00 C ATOM 1042 O THR A 70 8.164 -16.201 2.212 1.00 0.00 O ATOM 1043 CB THR A 70 6.839 -14.852 4.946 1.00 0.00 C ATOM 1044 OG1 THR A 70 7.959 -13.982 4.939 1.00 0.00 O ATOM 1045 CG2 THR A 70 6.320 -14.920 6.385 1.00 0.00 C ATOM 0 H THR A 70 9.097 -15.582 5.158 1.00 0.00 H new ATOM 0 HA THR A 70 6.591 -16.991 4.867 1.00 0.00 H new ATOM 0 HB THR A 70 6.054 -14.491 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.935 -13.424 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.018 -13.925 6.710 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.464 -15.593 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.109 -15.291 7.039 1.00 0.00 H new ATOM 1053 N ASN A 71 5.992 -16.755 2.492 1.00 0.00 N ATOM 1054 CA ASN A 71 5.626 -16.883 1.091 1.00 0.00 C ATOM 1055 C ASN A 71 5.230 -15.504 0.584 1.00 0.00 C ATOM 1056 O ASN A 71 4.132 -15.019 0.861 1.00 0.00 O ATOM 1057 CB ASN A 71 4.474 -17.879 0.908 1.00 0.00 C ATOM 1058 CG ASN A 71 4.901 -19.314 1.194 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.451 -19.921 2.159 1.00 0.00 O ATOM 1060 ND2 ASN A 71 5.775 -19.875 0.362 1.00 0.00 N ATOM 0 H ASN A 71 5.219 -16.973 3.121 1.00 0.00 H new ATOM 0 HA ASN A 71 6.472 -17.267 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.653 -17.607 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.096 -17.811 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.086 -20.833 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.133 -19.347 -0.433 1.00 0.00 H new ATOM 1067 N CYS A 72 6.144 -14.880 -0.149 1.00 0.00 N ATOM 1068 CA CYS A 72 5.886 -13.665 -0.894 1.00 0.00 C ATOM 1069 C CYS A 72 5.285 -14.026 -2.244 1.00 0.00 C ATOM 1070 O CYS A 72 5.341 -15.179 -2.670 1.00 0.00 O ATOM 1071 CB CYS A 72 7.171 -12.845 -1.048 1.00 0.00 C ATOM 1072 SG CYS A 72 7.439 -11.667 0.288 1.00 0.00 S ATOM 0 H CYS A 72 7.103 -15.215 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 72 5.173 -13.045 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.022 -13.524 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.137 -12.306 -1.995 1.00 0.00 H new ATOM 1077 N TYR A 73 4.695 -13.036 -2.909 1.00 0.00 N ATOM 1078 CA TYR A 73 4.090 -13.171 -4.217 1.00 0.00 C ATOM 1079 C TYR A 73 4.353 -11.887 -4.999 1.00 0.00 C ATOM 1080 O TYR A 73 3.855 -10.822 -4.627 1.00 0.00 O ATOM 1081 CB TYR A 73 2.585 -13.438 -4.091 1.00 0.00 C ATOM 1082 CG TYR A 73 2.235 -14.744 -3.409 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.143 -14.804 -2.005 1.00 0.00 C ATOM 1084 CD2 TYR A 73 1.981 -15.897 -4.176 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.821 -16.015 -1.372 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.599 -17.092 -3.543 1.00 0.00 C ATOM 1087 CZ TYR A 73 1.520 -17.150 -2.141 1.00 0.00 C ATOM 1088 OH TYR A 73 1.198 -18.320 -1.521 1.00 0.00 O ATOM 0 H TYR A 73 4.626 -12.090 -2.534 1.00 0.00 H new ATOM 0 HA TYR A 73 4.526 -14.019 -4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.129 -12.619 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.143 -13.433 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.320 -13.917 -1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.080 -15.863 -5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.805 -16.073 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.366 -17.966 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 73 1.016 -19.008 -2.195 1.00 0.00 H new ATOM 1098 N GLN A 74 5.162 -11.989 -6.056 1.00 0.00 N ATOM 1099 CA GLN A 74 5.335 -10.942 -7.039 1.00 0.00 C ATOM 1100 C GLN A 74 4.107 -10.839 -7.934 1.00 0.00 C ATOM 1101 O GLN A 74 3.504 -11.840 -8.329 1.00 0.00 O ATOM 1102 CB GLN A 74 6.607 -11.184 -7.864 1.00 0.00 C ATOM 1103 CG GLN A 74 6.597 -10.473 -9.223 1.00 0.00 C ATOM 1104 CD GLN A 74 7.910 -10.538 -9.989 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.900 -11.099 -9.531 1.00 0.00 O ATOM 1106 NE2 GLN A 74 7.908 -9.968 -11.190 1.00 0.00 N ATOM 0 H GLN A 74 5.721 -12.821 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 74 5.449 -9.991 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.471 -10.847 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.729 -12.255 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.811 -10.910 -9.840 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.335 -9.426 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.064 -9.511 -11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.750 -9.988 -11.765 1.00 0.00 H new ATOM 1115 N SER A 75 3.816 -9.600 -8.317 1.00 0.00 N ATOM 1116 CA SER A 75 2.874 -9.297 -9.371 1.00 0.00 C ATOM 1117 C SER A 75 3.520 -9.645 -10.712 1.00 0.00 C ATOM 1118 O SER A 75 4.585 -9.128 -11.051 1.00 0.00 O ATOM 1119 CB SER A 75 2.474 -7.826 -9.285 1.00 0.00 C ATOM 1120 OG SER A 75 3.599 -6.979 -9.408 1.00 0.00 O ATOM 0 H SER A 75 4.237 -8.773 -7.894 1.00 0.00 H new ATOM 0 HA SER A 75 1.963 -9.887 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.755 -7.596 -10.072 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.977 -7.637 -8.334 1.00 0.00 H new ATOM 0 HG SER A 75 3.699 -6.702 -10.343 1.00 0.00 H new ATOM 1126 N LYS A 76 2.880 -10.536 -11.472 1.00 0.00 N ATOM 1127 CA LYS A 76 3.323 -10.887 -12.813 1.00 0.00 C ATOM 1128 C LYS A 76 3.436 -9.636 -13.678 1.00 0.00 C ATOM 1129 O LYS A 76 4.355 -9.523 -14.488 1.00 0.00 O ATOM 1130 CB LYS A 76 2.348 -11.921 -13.396 1.00 0.00 C ATOM 1131 CG LYS A 76 2.765 -12.510 -14.749 1.00 0.00 C ATOM 1132 CD LYS A 76 4.069 -13.317 -14.650 1.00 0.00 C ATOM 1133 CE LYS A 76 4.376 -14.072 -15.949 1.00 0.00 C ATOM 1134 NZ LYS A 76 3.388 -15.131 -16.223 1.00 0.00 N ATOM 0 H LYS A 76 2.041 -11.032 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 76 4.317 -11.333 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.235 -12.736 -12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.369 -11.454 -13.505 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.969 -13.153 -15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.892 -11.704 -15.471 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.895 -12.645 -14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.994 -14.027 -13.827 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.392 -13.368 -16.781 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.371 -14.513 -15.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.753 -15.763 -16.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.216 -15.678 -15.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.497 -14.700 -16.543 1.00 0.00 H new ATOM 1148 N SER A 77 2.507 -8.699 -13.492 1.00 0.00 N ATOM 1149 CA SER A 77 2.500 -7.417 -14.158 1.00 0.00 C ATOM 1150 C SER A 77 3.023 -6.328 -13.216 1.00 0.00 C ATOM 1151 O SER A 77 3.282 -6.573 -12.039 1.00 0.00 O ATOM 1152 CB SER A 77 1.061 -7.140 -14.613 1.00 0.00 C ATOM 1153 OG SER A 77 0.154 -7.570 -13.610 1.00 0.00 O ATOM 0 H SER A 77 1.721 -8.824 -12.854 1.00 0.00 H new ATOM 0 HA SER A 77 3.159 -7.421 -15.026 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.928 -6.075 -14.805 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.858 -7.661 -15.549 1.00 0.00 H new ATOM 0 HG SER A 77 -0.765 -7.391 -13.901 1.00 0.00 H new ATOM 1159 N THR A 78 3.179 -5.115 -13.741 1.00 0.00 N ATOM 1160 CA THR A 78 3.449 -3.910 -12.978 1.00 0.00 C ATOM 1161 C THR A 78 2.113 -3.313 -12.526 1.00 0.00 C ATOM 1162 O THR A 78 1.082 -3.539 -13.163 1.00 0.00 O ATOM 1163 CB THR A 78 4.211 -2.951 -13.903 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.528 -2.867 -15.139 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.620 -3.472 -14.205 1.00 0.00 C ATOM 0 H THR A 78 3.118 -4.944 -14.745 1.00 0.00 H new ATOM 0 HA THR A 78 4.048 -4.107 -12.089 1.00 0.00 H new ATOM 0 HB THR A 78 4.275 -1.984 -13.403 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.007 -2.255 -15.736 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.134 -2.771 -14.862 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.178 -3.572 -13.274 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.552 -4.444 -14.694 1.00 0.00 H new ATOM 1173 N MET A 79 2.135 -2.555 -11.428 1.00 0.00 N ATOM 1174 CA MET A 79 0.994 -1.825 -10.910 1.00 0.00 C ATOM 1175 C MET A 79 1.415 -0.378 -10.715 1.00 0.00 C ATOM 1176 O MET A 79 2.597 -0.106 -10.501 1.00 0.00 O ATOM 1177 CB MET A 79 0.518 -2.430 -9.581 1.00 0.00 C ATOM 1178 CG MET A 79 -0.296 -3.705 -9.808 1.00 0.00 C ATOM 1179 SD MET A 79 0.624 -5.194 -10.242 1.00 0.00 S ATOM 1180 CE MET A 79 -0.748 -6.203 -10.840 1.00 0.00 C ATOM 0 H MET A 79 2.976 -2.434 -10.864 1.00 0.00 H new ATOM 0 HA MET A 79 0.162 -1.886 -11.612 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.380 -2.654 -8.952 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.088 -1.700 -9.044 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.865 -3.910 -8.901 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.019 -3.510 -10.600 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.408 -7.228 -10.990 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.554 -6.192 -10.107 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.112 -5.799 -11.785 1.00 0.00 H new ATOM 1190 N ARG A 80 0.441 0.534 -10.791 1.00 0.00 N ATOM 1191 CA ARG A 80 0.652 1.937 -10.492 1.00 0.00 C ATOM 1192 C ARG A 80 0.386 2.138 -9.000 1.00 0.00 C ATOM 1193 O ARG A 80 -0.728 1.904 -8.519 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.164 2.835 -11.436 1.00 0.00 C ATOM 1195 CG ARG A 80 -1.677 2.823 -11.209 1.00 0.00 C ATOM 1196 CD ARG A 80 -2.398 3.518 -12.366 1.00 0.00 C ATOM 1197 NE ARG A 80 -3.847 3.553 -12.134 1.00 0.00 N ATOM 1198 CZ ARG A 80 -4.750 3.974 -13.030 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -4.356 4.432 -14.223 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -6.050 3.931 -12.724 1.00 0.00 N ATOM 0 H ARG A 80 -0.516 0.310 -11.063 1.00 0.00 H new ATOM 0 HA ARG A 80 1.681 2.242 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.193 3.860 -11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.035 2.529 -12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.029 1.795 -11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.914 3.325 -10.271 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.019 4.534 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.187 2.994 -13.298 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.190 3.235 -11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.363 4.462 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.048 4.751 -14.901 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.348 3.580 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.744 4.250 -13.400 1.00 0.00 H new ATOM 1214 N ILE A 81 1.436 2.485 -8.257 1.00 0.00 N ATOM 1215 CA ILE A 81 1.394 2.676 -6.828 1.00 0.00 C ATOM 1216 C ILE A 81 1.580 4.153 -6.496 1.00 0.00 C ATOM 1217 O ILE A 81 2.449 4.831 -7.048 1.00 0.00 O ATOM 1218 CB ILE A 81 2.422 1.762 -6.152 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.891 2.125 -6.420 1.00 0.00 C ATOM 1220 CG2 ILE A 81 2.150 0.312 -6.562 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.878 1.178 -5.731 1.00 0.00 C ATOM 0 H ILE A 81 2.362 2.643 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 81 0.418 2.392 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 81 2.291 1.901 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.073 2.111 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.076 3.144 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.878 -0.344 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.145 0.028 -6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.233 0.218 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.898 1.487 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.721 1.210 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.718 0.161 -6.090 1.00 0.00 H new ATOM 1233 N THR A 82 0.738 4.633 -5.586 1.00 0.00 N ATOM 1234 CA THR A 82 0.757 5.977 -5.056 1.00 0.00 C ATOM 1235 C THR A 82 1.521 5.916 -3.731 1.00 0.00 C ATOM 1236 O THR A 82 0.930 5.728 -2.665 1.00 0.00 O ATOM 1237 CB THR A 82 -0.698 6.452 -4.926 1.00 0.00 C ATOM 1238 OG1 THR A 82 -1.327 6.345 -6.188 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.801 7.902 -4.458 1.00 0.00 C ATOM 0 H THR A 82 -0.007 4.063 -5.185 1.00 0.00 H new ATOM 0 HA THR A 82 1.262 6.701 -5.695 1.00 0.00 H new ATOM 0 HB THR A 82 -1.182 5.823 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.257 6.644 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.851 8.186 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.327 8.004 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.299 8.552 -5.175 1.00 0.00 H new ATOM 1247 N ASP A 83 2.849 6.030 -3.816 1.00 0.00 N ATOM 1248 CA ASP A 83 3.721 6.169 -2.664 1.00 0.00 C ATOM 1249 C ASP A 83 3.396 7.469 -1.946 1.00 0.00 C ATOM 1250 O ASP A 83 3.049 8.455 -2.595 1.00 0.00 O ATOM 1251 CB ASP A 83 5.197 6.114 -3.089 1.00 0.00 C ATOM 1252 CG ASP A 83 5.726 4.687 -3.125 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.842 4.107 -2.024 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.995 4.198 -4.243 1.00 0.00 O ATOM 0 H ASP A 83 3.349 6.027 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 83 3.554 5.339 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.308 6.567 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.796 6.706 -2.397 1.00 0.00 H new ATOM 1259 N CYS A 84 3.503 7.470 -0.617 1.00 0.00 N ATOM 1260 CA CYS A 84 3.289 8.641 0.214 1.00 0.00 C ATOM 1261 C CYS A 84 4.285 8.718 1.367 1.00 0.00 C ATOM 1262 O CYS A 84 4.423 7.741 2.102 1.00 0.00 O ATOM 1263 CB CYS A 84 1.853 8.685 0.717 1.00 0.00 C ATOM 1264 SG CYS A 84 1.481 10.327 1.334 1.00 0.00 S ATOM 0 H CYS A 84 3.746 6.636 -0.083 1.00 0.00 H new ATOM 0 HA CYS A 84 3.462 9.520 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.167 8.424 -0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.711 7.948 1.507 1.00 0.00 H new ATOM 1269 N ARG A 85 5.015 9.836 1.504 1.00 0.00 N ATOM 1270 CA ARG A 85 6.112 9.941 2.466 1.00 0.00 C ATOM 1271 C ARG A 85 6.167 11.352 3.036 1.00 0.00 C ATOM 1272 O ARG A 85 6.159 12.303 2.266 1.00 0.00 O ATOM 1273 CB ARG A 85 7.461 9.623 1.797 1.00 0.00 C ATOM 1274 CG ARG A 85 7.568 8.190 1.257 1.00 0.00 C ATOM 1275 CD ARG A 85 6.989 8.035 -0.158 1.00 0.00 C ATOM 1276 NE ARG A 85 8.042 7.813 -1.159 1.00 0.00 N ATOM 1277 CZ ARG A 85 8.600 6.626 -1.442 1.00 0.00 C ATOM 1278 NH1 ARG A 85 8.250 5.533 -0.757 1.00 0.00 N ATOM 1279 NH2 ARG A 85 9.510 6.543 -2.418 1.00 0.00 N ATOM 0 H ARG A 85 4.860 10.682 0.955 1.00 0.00 H new ATOM 0 HA ARG A 85 5.931 9.221 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.622 10.322 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.261 9.789 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.615 7.888 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.046 7.513 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.290 7.199 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.423 8.929 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 85 8.375 8.625 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.555 5.598 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.678 4.634 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.775 7.378 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.939 5.645 -2.640 1.00 0.00 H new ATOM 1293 N GLU A 86 6.239 11.505 4.360 1.00 0.00 N ATOM 1294 CA GLU A 86 6.401 12.790 5.027 1.00 0.00 C ATOM 1295 C GLU A 86 7.449 13.685 4.347 1.00 0.00 C ATOM 1296 O GLU A 86 8.645 13.432 4.451 1.00 0.00 O ATOM 1297 CB GLU A 86 6.664 12.579 6.526 1.00 0.00 C ATOM 1298 CG GLU A 86 7.828 11.633 6.868 1.00 0.00 C ATOM 1299 CD GLU A 86 7.951 11.393 8.371 1.00 0.00 C ATOM 1300 OE1 GLU A 86 7.215 12.065 9.128 1.00 0.00 O ATOM 1301 OE2 GLU A 86 8.776 10.530 8.738 1.00 0.00 O ATOM 0 H GLU A 86 6.185 10.720 5.008 1.00 0.00 H new ATOM 0 HA GLU A 86 5.465 13.341 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.861 13.549 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.755 12.189 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.681 10.680 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.760 12.055 6.491 1.00 0.00 H new ATOM 1308 N THR A 87 7.000 14.753 3.676 1.00 0.00 N ATOM 1309 CA THR A 87 7.823 15.727 2.974 1.00 0.00 C ATOM 1310 C THR A 87 9.031 16.232 3.772 1.00 0.00 C ATOM 1311 O THR A 87 10.055 16.578 3.188 1.00 0.00 O ATOM 1312 CB THR A 87 6.901 16.894 2.590 1.00 0.00 C ATOM 1313 OG1 THR A 87 5.626 16.379 2.254 1.00 0.00 O ATOM 1314 CG2 THR A 87 7.454 17.696 1.411 1.00 0.00 C ATOM 0 H THR A 87 6.005 14.965 3.609 1.00 0.00 H new ATOM 0 HA THR A 87 8.261 15.241 2.102 1.00 0.00 H new ATOM 0 HB THR A 87 6.832 17.568 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.029 17.117 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.771 18.511 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.429 18.105 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.557 17.044 0.544 1.00 0.00 H new ATOM 1322 N GLY A 88 8.881 16.326 5.095 1.00 0.00 N ATOM 1323 CA GLY A 88 9.848 16.938 5.997 1.00 0.00 C ATOM 1324 C GLY A 88 9.245 18.229 6.538 1.00 0.00 C ATOM 1325 O GLY A 88 9.683 19.323 6.198 1.00 0.00 O ATOM 0 H GLY A 88 8.058 15.967 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.088 16.259 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.780 17.145 5.471 1.00 0.00 H new ATOM 1329 N SER A 89 8.192 18.078 7.344 1.00 0.00 N ATOM 1330 CA SER A 89 7.370 19.153 7.895 1.00 0.00 C ATOM 1331 C SER A 89 6.286 18.506 8.761 1.00 0.00 C ATOM 1332 O SER A 89 6.088 18.895 9.908 1.00 0.00 O ATOM 1333 CB SER A 89 6.763 20.008 6.767 1.00 0.00 C ATOM 1334 OG SER A 89 5.876 20.972 7.294 1.00 0.00 O ATOM 0 H SER A 89 7.875 17.156 7.644 1.00 0.00 H new ATOM 0 HA SER A 89 7.973 19.827 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.559 20.504 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.234 19.367 6.062 1.00 0.00 H new ATOM 0 HG SER A 89 5.502 21.506 6.563 1.00 0.00 H new ATOM 1340 N SER A 90 5.633 17.485 8.187 1.00 0.00 N ATOM 1341 CA SER A 90 4.605 16.639 8.784 1.00 0.00 C ATOM 1342 C SER A 90 4.686 16.552 10.315 1.00 0.00 C ATOM 1343 O SER A 90 5.600 15.918 10.840 1.00 0.00 O ATOM 1344 CB SER A 90 4.726 15.231 8.170 1.00 0.00 C ATOM 1345 OG SER A 90 3.488 14.551 8.201 1.00 0.00 O ATOM 0 H SER A 90 5.828 17.214 7.223 1.00 0.00 H new ATOM 0 HA SER A 90 3.638 17.091 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.075 15.309 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.473 14.656 8.717 1.00 0.00 H new ATOM 0 HG SER A 90 3.394 14.006 7.392 1.00 0.00 H new ATOM 1351 N LYS A 91 3.726 17.153 11.029 1.00 0.00 N ATOM 1352 CA LYS A 91 3.662 17.079 12.481 1.00 0.00 C ATOM 1353 C LYS A 91 2.200 17.176 12.919 1.00 0.00 C ATOM 1354 O LYS A 91 1.589 18.240 12.813 1.00 0.00 O ATOM 1355 CB LYS A 91 4.536 18.189 13.091 1.00 0.00 C ATOM 1356 CG LYS A 91 4.919 17.929 14.555 1.00 0.00 C ATOM 1357 CD LYS A 91 5.989 16.829 14.669 1.00 0.00 C ATOM 1358 CE LYS A 91 6.469 16.632 16.111 1.00 0.00 C ATOM 1359 NZ LYS A 91 7.192 17.812 16.620 1.00 0.00 N ATOM 0 H LYS A 91 2.976 17.702 10.610 1.00 0.00 H new ATOM 0 HA LYS A 91 4.054 16.127 12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.445 18.292 12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.003 19.138 13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.292 18.849 15.004 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.033 17.636 15.118 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.583 15.890 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.839 17.085 14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.612 16.427 16.753 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.120 15.759 16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.643 17.578 17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.920 18.095 15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.523 18.596 16.758 1.00 0.00 H new ATOM 1373 N TYR A 92 1.622 16.058 13.378 1.00 0.00 N ATOM 1374 CA TYR A 92 0.215 15.987 13.754 1.00 0.00 C ATOM 1375 C TYR A 92 -0.156 17.110 14.737 1.00 0.00 C ATOM 1376 O TYR A 92 0.619 17.364 15.658 1.00 0.00 O ATOM 1377 CB TYR A 92 -0.133 14.596 14.305 1.00 0.00 C ATOM 1378 CG TYR A 92 -1.573 14.181 14.061 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -2.060 14.050 12.746 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -2.463 14.060 15.144 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -3.420 13.788 12.519 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -3.824 13.790 14.915 1.00 0.00 C ATOM 1383 CZ TYR A 92 -4.297 13.625 13.604 1.00 0.00 C ATOM 1384 OH TYR A 92 -5.614 13.328 13.382 1.00 0.00 O ATOM 0 H TYR A 92 2.124 15.178 13.497 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.387 16.140 12.858 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.529 13.859 13.850 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.063 14.581 15.377 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.385 14.152 11.909 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.100 14.175 16.155 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.793 13.712 11.508 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.506 13.710 15.749 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.080 13.248 14.240 1.00 0.00 H new ATOM 1394 N PRO A 93 -1.295 17.809 14.570 1.00 0.00 N ATOM 1395 CA PRO A 93 -2.374 17.558 13.617 1.00 0.00 C ATOM 1396 C PRO A 93 -1.968 17.813 12.163 1.00 0.00 C ATOM 1397 O PRO A 93 -2.467 17.149 11.256 1.00 0.00 O ATOM 1398 CB PRO A 93 -3.515 18.490 14.041 1.00 0.00 C ATOM 1399 CG PRO A 93 -2.795 19.650 14.725 1.00 0.00 C ATOM 1400 CD PRO A 93 -1.624 18.947 15.412 1.00 0.00 C ATOM 0 HA PRO A 93 -2.662 16.507 13.640 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.096 18.829 13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.208 17.992 14.719 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.456 20.398 14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.438 20.163 15.440 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.771 19.618 15.514 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.897 18.624 16.417 1.00 0.00 H new ATOM 1408 N ASN A 94 -1.034 18.736 11.933 1.00 0.00 N ATOM 1409 CA ASN A 94 -0.596 19.115 10.597 1.00 0.00 C ATOM 1410 C ASN A 94 0.392 18.091 10.037 1.00 0.00 C ATOM 1411 O ASN A 94 1.527 18.436 9.703 1.00 0.00 O ATOM 1412 CB ASN A 94 0.020 20.521 10.624 1.00 0.00 C ATOM 1413 CG ASN A 94 -0.981 21.577 11.078 1.00 0.00 C ATOM 1414 OD1 ASN A 94 -1.910 21.916 10.351 1.00 0.00 O ATOM 1415 ND2 ASN A 94 -0.811 22.112 12.284 1.00 0.00 N ATOM 0 H ASN A 94 -0.558 19.244 12.678 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.463 19.131 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 94 0.881 20.526 11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 94 0.388 20.774 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -1.461 22.821 12.624 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.031 21.813 12.869 1.00 0.00 H new ATOM 1422 N CYS A 95 -0.017 16.823 9.919 1.00 0.00 N ATOM 1423 CA CYS A 95 0.776 15.887 9.129 1.00 0.00 C ATOM 1424 C CYS A 95 0.589 16.264 7.659 1.00 0.00 C ATOM 1425 O CYS A 95 -0.505 16.641 7.243 1.00 0.00 O ATOM 1426 CB CYS A 95 0.507 14.409 9.429 1.00 0.00 C ATOM 1427 SG CYS A 95 1.406 13.821 10.892 1.00 0.00 S ATOM 0 H CYS A 95 -0.860 16.436 10.344 1.00 0.00 H new ATOM 0 HA CYS A 95 1.825 15.983 9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.562 14.261 9.580 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.793 13.809 8.565 1.00 0.00 H new ATOM 1432 N ALA A 96 1.678 16.231 6.896 1.00 0.00 N ATOM 1433 CA ALA A 96 1.773 16.794 5.560 1.00 0.00 C ATOM 1434 C ALA A 96 2.793 15.979 4.774 1.00 0.00 C ATOM 1435 O ALA A 96 3.993 16.045 5.041 1.00 0.00 O ATOM 1436 CB ALA A 96 2.184 18.266 5.652 1.00 0.00 C ATOM 0 H ALA A 96 2.547 15.795 7.205 1.00 0.00 H new ATOM 0 HA ALA A 96 0.811 16.751 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.255 18.687 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.438 18.817 6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.152 18.343 6.147 1.00 0.00 H new ATOM 1442 N TYR A 97 2.293 15.178 3.838 1.00 0.00 N ATOM 1443 CA TYR A 97 3.043 14.161 3.133 1.00 0.00 C ATOM 1444 C TYR A 97 3.308 14.566 1.687 1.00 0.00 C ATOM 1445 O TYR A 97 2.607 15.415 1.138 1.00 0.00 O ATOM 1446 CB TYR A 97 2.233 12.868 3.158 1.00 0.00 C ATOM 1447 CG TYR A 97 1.580 12.500 4.478 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.352 12.274 5.634 1.00 0.00 C ATOM 1449 CD2 TYR A 97 0.189 12.299 4.523 1.00 0.00 C ATOM 1450 CE1 TYR A 97 1.730 11.863 6.828 1.00 0.00 C ATOM 1451 CE2 TYR A 97 -0.413 11.795 5.685 1.00 0.00 C ATOM 1452 CZ TYR A 97 0.355 11.572 6.838 1.00 0.00 C ATOM 1453 OH TYR A 97 -0.249 11.091 7.964 1.00 0.00 O ATOM 0 H TYR A 97 1.318 15.227 3.544 1.00 0.00 H new ATOM 0 HA TYR A 97 4.007 14.028 3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.453 12.940 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.889 12.049 2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.422 12.416 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.417 12.533 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.309 11.771 7.735 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.471 11.578 5.692 1.00 0.00 H new ATOM 0 HH TYR A 97 0.293 11.318 8.748 1.00 0.00 H new ATOM 1463 N LYS A 98 4.300 13.919 1.071 1.00 0.00 N ATOM 1464 CA LYS A 98 4.619 13.994 -0.339 1.00 0.00 C ATOM 1465 C LYS A 98 4.086 12.738 -1.014 1.00 0.00 C ATOM 1466 O LYS A 98 4.457 11.640 -0.603 1.00 0.00 O ATOM 1467 CB LYS A 98 6.136 14.130 -0.538 1.00 0.00 C ATOM 1468 CG LYS A 98 6.586 14.111 -2.009 1.00 0.00 C ATOM 1469 CD LYS A 98 5.953 15.195 -2.895 1.00 0.00 C ATOM 1470 CE LYS A 98 6.221 16.624 -2.406 1.00 0.00 C ATOM 1471 NZ LYS A 98 7.663 16.914 -2.319 1.00 0.00 N ATOM 0 H LYS A 98 4.930 13.298 1.578 1.00 0.00 H new ATOM 0 HA LYS A 98 4.154 14.873 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.468 15.062 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.634 13.319 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.670 14.222 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.352 13.134 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.334 15.090 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.876 15.032 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.748 17.334 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.763 16.765 -1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.801 17.909 -2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.098 16.298 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.109 16.740 -3.242 1.00 0.00 H new ATOM 1485 N THR A 99 3.251 12.893 -2.044 1.00 0.00 N ATOM 1486 CA THR A 99 2.752 11.779 -2.837 1.00 0.00 C ATOM 1487 C THR A 99 3.641 11.603 -4.070 1.00 0.00 C ATOM 1488 O THR A 99 4.003 12.598 -4.698 1.00 0.00 O ATOM 1489 CB THR A 99 1.306 12.049 -3.271 1.00 0.00 C ATOM 1490 OG1 THR A 99 0.538 12.541 -2.193 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.626 10.785 -3.792 1.00 0.00 C ATOM 0 H THR A 99 2.903 13.802 -2.349 1.00 0.00 H new ATOM 0 HA THR A 99 2.773 10.869 -2.238 1.00 0.00 H new ATOM 0 HB THR A 99 1.358 12.790 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.215 13.064 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.396 11.018 -4.089 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.176 10.404 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.612 10.029 -3.007 1.00 0.00 H new ATOM 1499 N THR A 100 3.933 10.354 -4.439 1.00 0.00 N ATOM 1500 CA THR A 100 4.688 9.980 -5.626 1.00 0.00 C ATOM 1501 C THR A 100 3.959 8.828 -6.322 1.00 0.00 C ATOM 1502 O THR A 100 3.822 7.749 -5.749 1.00 0.00 O ATOM 1503 CB THR A 100 6.110 9.570 -5.214 1.00 0.00 C ATOM 1504 OG1 THR A 100 6.748 10.659 -4.575 1.00 0.00 O ATOM 1505 CG2 THR A 100 6.941 9.140 -6.427 1.00 0.00 C ATOM 0 H THR A 100 3.635 9.546 -3.893 1.00 0.00 H new ATOM 0 HA THR A 100 4.764 10.819 -6.318 1.00 0.00 H new ATOM 0 HB THR A 100 6.034 8.723 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.655 10.398 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.942 8.856 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.463 8.289 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.011 9.968 -7.132 1.00 0.00 H new ATOM 1513 N GLN A 101 3.507 9.046 -7.559 1.00 0.00 N ATOM 1514 CA GLN A 101 2.961 7.995 -8.405 1.00 0.00 C ATOM 1515 C GLN A 101 4.135 7.306 -9.104 1.00 0.00 C ATOM 1516 O GLN A 101 4.943 7.994 -9.725 1.00 0.00 O ATOM 1517 CB GLN A 101 1.967 8.623 -9.397 1.00 0.00 C ATOM 1518 CG GLN A 101 1.005 7.603 -10.021 1.00 0.00 C ATOM 1519 CD GLN A 101 1.655 6.729 -11.087 1.00 0.00 C ATOM 1520 OE1 GLN A 101 1.925 5.560 -10.847 1.00 0.00 O ATOM 1521 NE2 GLN A 101 1.890 7.273 -12.277 1.00 0.00 N ATOM 0 H GLN A 101 3.512 9.966 -8.000 1.00 0.00 H new ATOM 0 HA GLN A 101 2.415 7.246 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.388 9.391 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.523 9.121 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.604 6.965 -9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.161 8.134 -10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.654 8.251 -12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.307 6.713 -13.021 1.00 0.00 H new ATOM 1530 N VAL A 102 4.253 5.979 -9.001 1.00 0.00 N ATOM 1531 CA VAL A 102 5.281 5.219 -9.706 1.00 0.00 C ATOM 1532 C VAL A 102 4.705 3.868 -10.146 1.00 0.00 C ATOM 1533 O VAL A 102 3.759 3.374 -9.537 1.00 0.00 O ATOM 1534 CB VAL A 102 6.557 5.125 -8.849 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.331 4.384 -7.527 1.00 0.00 C ATOM 1536 CG2 VAL A 102 7.720 4.477 -9.612 1.00 0.00 C ATOM 0 H VAL A 102 3.637 5.404 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 102 5.586 5.731 -10.619 1.00 0.00 H new ATOM 0 HB VAL A 102 6.823 6.156 -8.616 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.265 4.349 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.575 4.907 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.993 3.368 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.598 4.432 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.440 3.468 -9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.950 5.070 -10.497 1.00 0.00 H new ATOM 1546 N GLU A 103 5.241 3.300 -11.232 1.00 0.00 N ATOM 1547 CA GLU A 103 4.676 2.160 -11.935 1.00 0.00 C ATOM 1548 C GLU A 103 5.742 1.083 -12.103 1.00 0.00 C ATOM 1549 O GLU A 103 6.681 1.285 -12.868 1.00 0.00 O ATOM 1550 CB GLU A 103 4.134 2.645 -13.288 1.00 0.00 C ATOM 1551 CG GLU A 103 3.168 3.825 -13.095 1.00 0.00 C ATOM 1552 CD GLU A 103 2.504 4.303 -14.380 1.00 0.00 C ATOM 1553 OE1 GLU A 103 2.162 3.438 -15.214 1.00 0.00 O ATOM 1554 OE2 GLU A 103 2.334 5.539 -14.489 1.00 0.00 O ATOM 0 H GLU A 103 6.107 3.637 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 103 3.855 1.720 -11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.962 2.947 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.621 1.827 -13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.394 3.534 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.713 4.657 -12.649 1.00 0.00 H new ATOM 1561 N LYS A 104 5.608 -0.045 -11.396 1.00 0.00 N ATOM 1562 CA LYS A 104 6.585 -1.125 -11.385 1.00 0.00 C ATOM 1563 C LYS A 104 5.912 -2.353 -10.780 1.00 0.00 C ATOM 1564 O LYS A 104 4.737 -2.284 -10.425 1.00 0.00 O ATOM 1565 CB LYS A 104 7.854 -0.753 -10.588 1.00 0.00 C ATOM 1566 CG LYS A 104 9.024 -0.177 -11.404 1.00 0.00 C ATOM 1567 CD LYS A 104 9.471 -1.125 -12.529 1.00 0.00 C ATOM 1568 CE LYS A 104 10.849 -0.725 -13.070 1.00 0.00 C ATOM 1569 NZ LYS A 104 11.322 -1.683 -14.085 1.00 0.00 N ATOM 0 H LYS A 104 4.798 -0.230 -10.805 1.00 0.00 H new ATOM 0 HA LYS A 104 6.912 -1.325 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.578 -0.026 -9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.205 -1.644 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.728 0.780 -11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.866 0.018 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.506 -2.148 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.740 -1.106 -13.337 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.796 0.273 -13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.565 -0.678 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.256 -1.387 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.394 -2.630 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.650 -1.709 -14.878 1.00 0.00 H new ATOM 1583 N HIS A 105 6.629 -3.477 -10.691 1.00 0.00 N ATOM 1584 CA HIS A 105 6.071 -4.703 -10.142 1.00 0.00 C ATOM 1585 C HIS A 105 6.291 -4.735 -8.637 1.00 0.00 C ATOM 1586 O HIS A 105 7.276 -4.205 -8.117 1.00 0.00 O ATOM 1587 CB HIS A 105 6.548 -5.956 -10.882 1.00 0.00 C ATOM 1588 CG HIS A 105 8.026 -6.223 -10.850 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.923 -5.926 -11.859 1.00 0.00 N ATOM 1590 CD2 HIS A 105 8.675 -6.973 -9.908 1.00 0.00 C ATOM 1591 CE1 HIS A 105 10.106 -6.474 -11.525 1.00 0.00 C ATOM 1592 NE2 HIS A 105 9.973 -7.118 -10.349 1.00 0.00 N ATOM 0 H HIS A 105 7.599 -3.557 -10.995 1.00 0.00 H new ATOM 0 HA HIS A 105 4.994 -4.708 -10.307 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.035 -6.820 -10.459 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.236 -5.878 -11.924 1.00 0.00 H new ATOM 0 HD2 HIS A 105 8.253 -7.373 -8.998 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.014 -6.408 -12.105 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.711 -7.629 -9.865 1.00 0.00 H new ATOM 1601 N ILE A 106 5.299 -5.297 -7.951 1.00 0.00 N ATOM 1602 CA ILE A 106 5.161 -5.235 -6.507 1.00 0.00 C ATOM 1603 C ILE A 106 5.106 -6.639 -5.917 1.00 0.00 C ATOM 1604 O ILE A 106 4.626 -7.575 -6.556 1.00 0.00 O ATOM 1605 CB ILE A 106 3.969 -4.328 -6.139 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.584 -4.925 -6.443 1.00 0.00 C ATOM 1607 CG2 ILE A 106 4.066 -3.000 -6.905 1.00 0.00 C ATOM 1608 CD1 ILE A 106 2.016 -5.709 -5.262 1.00 0.00 C ATOM 0 H ILE A 106 4.550 -5.822 -8.402 1.00 0.00 H new ATOM 0 HA ILE A 106 6.038 -4.773 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 106 4.043 -4.199 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.896 -4.122 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.657 -5.581 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.221 -2.365 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.996 -2.495 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.050 -3.196 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.038 -6.110 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.689 -6.530 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.916 -5.048 -4.401 1.00 0.00 H new ATOM 1620 N ILE A 107 5.683 -6.788 -4.723 1.00 0.00 N ATOM 1621 CA ILE A 107 5.839 -8.043 -4.019 1.00 0.00 C ATOM 1622 C ILE A 107 5.087 -7.909 -2.703 1.00 0.00 C ATOM 1623 O ILE A 107 5.500 -7.151 -1.819 1.00 0.00 O ATOM 1624 CB ILE A 107 7.331 -8.362 -3.800 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.152 -8.581 -5.084 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.453 -9.681 -3.014 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.425 -7.343 -5.938 1.00 0.00 C ATOM 0 H ILE A 107 6.068 -5.997 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 107 5.433 -8.873 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 107 7.725 -7.486 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.109 -9.022 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.631 -9.313 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.506 -9.914 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.955 -9.578 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.985 -10.486 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.011 -7.626 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.479 -6.907 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.980 -6.611 -5.351 1.00 0.00 H new ATOM 1639 N VAL A 108 3.990 -8.656 -2.576 1.00 0.00 N ATOM 1640 CA VAL A 108 3.255 -8.773 -1.328 1.00 0.00 C ATOM 1641 C VAL A 108 3.608 -10.098 -0.660 1.00 0.00 C ATOM 1642 O VAL A 108 4.348 -10.894 -1.229 1.00 0.00 O ATOM 1643 CB VAL A 108 1.738 -8.640 -1.566 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.392 -7.208 -1.977 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.215 -9.634 -2.610 1.00 0.00 C ATOM 0 H VAL A 108 3.589 -9.197 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 108 3.541 -7.960 -0.661 1.00 0.00 H new ATOM 0 HB VAL A 108 1.244 -8.879 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.318 -7.126 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.691 -6.520 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.921 -6.955 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.141 -9.496 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.719 -9.462 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.413 -10.652 -2.274 1.00 0.00 H new ATOM 1655 N ALA A 109 3.069 -10.340 0.534 1.00 0.00 N ATOM 1656 CA ALA A 109 3.055 -11.641 1.178 1.00 0.00 C ATOM 1657 C ALA A 109 1.653 -11.842 1.733 1.00 0.00 C ATOM 1658 O ALA A 109 0.991 -10.861 2.094 1.00 0.00 O ATOM 1659 CB ALA A 109 4.122 -11.748 2.267 1.00 0.00 C ATOM 0 H ALA A 109 2.619 -9.613 1.090 1.00 0.00 H new ATOM 0 HA ALA A 109 3.297 -12.426 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.078 -12.737 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.108 -11.595 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.943 -10.988 3.028 1.00 0.00 H new ATOM 1665 N CYS A 110 1.194 -13.094 1.738 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.193 -13.439 2.022 1.00 0.00 C ATOM 1667 C CYS A 110 -0.304 -14.223 3.322 1.00 0.00 C ATOM 1668 O CYS A 110 0.647 -14.883 3.737 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.815 -14.199 0.850 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.800 -13.280 -0.705 1.00 0.00 S ATOM 0 H CYS A 110 1.784 -13.903 1.543 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.756 -12.514 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -0.278 -15.138 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.845 -14.455 1.100 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.459 -14.116 3.980 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.707 -14.799 5.237 1.00 0.00 C ATOM 1677 C GLY A 111 -1.977 -16.283 5.010 1.00 0.00 C ATOM 1678 O GLY A 111 -2.163 -16.731 3.876 1.00 0.00 O ATOM 0 H GLY A 111 -2.244 -13.553 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.847 -14.679 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.560 -14.344 5.740 1.00 0.00 H new ATOM 1682 N GLY A 112 -2.015 -17.047 6.105 1.00 0.00 N ATOM 1683 CA GLY A 112 -2.504 -18.411 6.077 1.00 0.00 C ATOM 1684 C GLY A 112 -3.981 -18.397 5.690 1.00 0.00 C ATOM 1685 O GLY A 112 -4.643 -17.371 5.826 1.00 0.00 O ATOM 0 H GLY A 112 -1.708 -16.732 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.932 -19.002 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.374 -18.879 7.053 1.00 0.00 H new ATOM 1689 N LYS A 113 -4.464 -19.541 5.200 1.00 0.00 N ATOM 1690 CA LYS A 113 -5.779 -19.723 4.591 1.00 0.00 C ATOM 1691 C LYS A 113 -6.874 -18.844 5.233 1.00 0.00 C ATOM 1692 O LYS A 113 -7.081 -18.934 6.443 1.00 0.00 O ATOM 1693 CB LYS A 113 -6.147 -21.217 4.595 1.00 0.00 C ATOM 1694 CG LYS A 113 -6.140 -21.862 5.991 1.00 0.00 C ATOM 1695 CD LYS A 113 -6.510 -23.352 5.952 1.00 0.00 C ATOM 1696 CE LYS A 113 -5.435 -24.209 5.272 1.00 0.00 C ATOM 1697 NZ LYS A 113 -5.739 -25.645 5.396 1.00 0.00 N ATOM 0 H LYS A 113 -3.922 -20.405 5.219 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.720 -19.380 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.137 -21.337 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -5.447 -21.754 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.151 -21.748 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.842 -21.333 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.665 -23.711 6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.455 -23.474 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.365 -23.940 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.463 -24.001 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.995 -26.199 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.782 -25.905 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.655 -25.846 4.947 1.00 0.00 H new ATOM 1711 N PRO A 114 -7.598 -18.012 4.463 1.00 0.00 N ATOM 1712 CA PRO A 114 -7.542 -17.876 3.012 1.00 0.00 C ATOM 1713 C PRO A 114 -6.292 -17.123 2.546 1.00 0.00 C ATOM 1714 O PRO A 114 -5.733 -16.296 3.260 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.810 -17.111 2.631 1.00 0.00 C ATOM 1716 CG PRO A 114 -9.082 -16.250 3.866 1.00 0.00 C ATOM 1717 CD PRO A 114 -8.634 -17.154 5.014 1.00 0.00 C ATOM 0 HA PRO A 114 -7.486 -18.853 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.660 -16.501 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.639 -17.786 2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.518 -15.318 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -10.136 -15.983 3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -8.252 -16.566 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.468 -17.744 5.395 1.00 0.00 H new ATOM 1725 N SER A 115 -5.860 -17.404 1.316 1.00 0.00 N ATOM 1726 CA SER A 115 -4.728 -16.764 0.676 1.00 0.00 C ATOM 1727 C SER A 115 -5.093 -15.321 0.313 1.00 0.00 C ATOM 1728 O SER A 115 -5.472 -15.036 -0.822 1.00 0.00 O ATOM 1729 CB SER A 115 -4.349 -17.608 -0.549 1.00 0.00 C ATOM 1730 OG SER A 115 -5.503 -18.254 -1.069 1.00 0.00 O ATOM 0 H SER A 115 -6.307 -18.106 0.726 1.00 0.00 H new ATOM 0 HA SER A 115 -3.865 -16.709 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.901 -16.973 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.600 -18.350 -0.272 1.00 0.00 H new ATOM 0 HG SER A 115 -5.254 -18.789 -1.851 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.981 -14.416 1.288 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.256 -12.993 1.130 1.00 0.00 C ATOM 1738 C VAL A 116 -3.973 -12.200 1.402 1.00 0.00 C ATOM 1739 O VAL A 116 -3.209 -12.591 2.288 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.416 -12.572 2.052 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.701 -13.320 1.681 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -6.114 -12.778 3.545 1.00 0.00 C ATOM 0 H VAL A 116 -4.688 -14.663 2.233 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.571 -12.779 0.109 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.549 -11.501 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.508 -13.008 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.970 -13.092 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.540 -14.393 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.973 -12.461 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.912 -13.833 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.242 -12.186 3.825 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.709 -11.113 0.654 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.501 -10.320 0.813 1.00 0.00 C ATOM 1754 C PRO A 117 -2.545 -9.610 2.166 1.00 0.00 C ATOM 1755 O PRO A 117 -3.571 -9.029 2.514 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.494 -9.343 -0.364 1.00 0.00 C ATOM 1757 CG PRO A 117 -3.978 -9.153 -0.679 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.589 -10.513 -0.338 1.00 0.00 C ATOM 0 HA PRO A 117 -1.588 -10.915 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.016 -8.400 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -1.951 -9.747 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.417 -8.354 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.137 -8.892 -1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.599 -10.399 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.662 -11.141 -1.226 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.451 -9.684 2.932 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.380 -9.168 4.290 1.00 0.00 C ATOM 1768 C VAL A 118 -0.166 -8.271 4.532 1.00 0.00 C ATOM 1769 O VAL A 118 -0.207 -7.428 5.429 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.523 -10.315 5.309 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.294 -11.228 5.322 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.768 -9.783 6.723 1.00 0.00 C ATOM 0 H VAL A 118 -0.581 -10.112 2.615 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.229 -8.501 4.438 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.387 -10.898 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.438 -12.022 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.156 -11.667 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.589 -10.646 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.864 -10.620 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.930 -9.156 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.685 -9.194 6.736 1.00 0.00 H new ATOM 1782 N HIS A 119 0.913 -8.436 3.764 1.00 0.00 N ATOM 1783 CA HIS A 119 2.100 -7.602 3.880 1.00 0.00 C ATOM 1784 C HIS A 119 2.569 -7.150 2.508 1.00 0.00 C ATOM 1785 O HIS A 119 2.358 -7.847 1.519 1.00 0.00 O ATOM 1786 CB HIS A 119 3.229 -8.349 4.596 1.00 0.00 C ATOM 1787 CG HIS A 119 2.936 -8.790 6.008 1.00 0.00 C ATOM 1788 ND1 HIS A 119 1.967 -8.271 6.848 1.00 0.00 N ATOM 1789 CD2 HIS A 119 3.589 -9.785 6.680 1.00 0.00 C ATOM 1790 CE1 HIS A 119 2.033 -8.941 8.013 1.00 0.00 C ATOM 1791 NE2 HIS A 119 3.009 -9.865 7.931 1.00 0.00 N ATOM 0 H HIS A 119 0.983 -9.155 3.044 1.00 0.00 H new ATOM 0 HA HIS A 119 1.835 -6.726 4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.486 -9.229 4.007 1.00 0.00 H new ATOM 0 HB3 HIS A 119 4.110 -7.707 4.612 1.00 0.00 H new ATOM 0 HD1 HIS A 119 1.319 -7.516 6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 119 4.401 -10.391 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.405 -8.766 8.874 1.00 0.00 H new ATOM 1800 N PHE A 120 3.239 -5.996 2.485 1.00 0.00 N ATOM 1801 CA PHE A 120 3.985 -5.488 1.351 1.00 0.00 C ATOM 1802 C PHE A 120 5.448 -5.751 1.667 1.00 0.00 C ATOM 1803 O PHE A 120 5.971 -5.205 2.636 1.00 0.00 O ATOM 1804 CB PHE A 120 3.750 -3.989 1.181 1.00 0.00 C ATOM 1805 CG PHE A 120 4.666 -3.342 0.158 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.402 -3.479 -1.217 1.00 0.00 C ATOM 1807 CD2 PHE A 120 5.743 -2.542 0.586 1.00 0.00 C ATOM 1808 CE1 PHE A 120 5.162 -2.758 -2.153 1.00 0.00 C ATOM 1809 CE2 PHE A 120 6.506 -1.825 -0.352 1.00 0.00 C ATOM 1810 CZ PHE A 120 6.207 -1.922 -1.720 1.00 0.00 C ATOM 0 H PHE A 120 3.273 -5.372 3.291 1.00 0.00 H new ATOM 0 HA PHE A 120 3.675 -5.971 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.714 -3.823 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.889 -3.497 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.615 -4.138 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.983 -2.479 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.943 -2.846 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.322 -1.200 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.779 -1.355 -2.440 1.00 0.00 H new ATOM 1820 N ASP A 121 6.084 -6.605 0.875 1.00 0.00 N ATOM 1821 CA ASP A 121 7.500 -6.893 1.021 1.00 0.00 C ATOM 1822 C ASP A 121 8.333 -5.774 0.403 1.00 0.00 C ATOM 1823 O ASP A 121 9.215 -5.231 1.065 1.00 0.00 O ATOM 1824 CB ASP A 121 7.818 -8.233 0.362 1.00 0.00 C ATOM 1825 CG ASP A 121 9.261 -8.659 0.608 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.493 -9.316 1.646 1.00 0.00 O ATOM 1827 OD2 ASP A 121 10.110 -8.319 -0.243 1.00 0.00 O ATOM 0 H ASP A 121 5.632 -7.115 0.116 1.00 0.00 H new ATOM 0 HA ASP A 121 7.749 -6.954 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.143 -8.997 0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.638 -8.162 -0.711 1.00 0.00 H new ATOM 1832 N ALA A 122 8.078 -5.463 -0.871 1.00 0.00 N ATOM 1833 CA ALA A 122 8.871 -4.514 -1.644 1.00 0.00 C ATOM 1834 C ALA A 122 8.223 -4.286 -3.011 1.00 0.00 C ATOM 1835 O ALA A 122 7.208 -4.901 -3.336 1.00 0.00 O ATOM 1836 CB ALA A 122 10.297 -5.060 -1.831 1.00 0.00 C ATOM 0 H ALA A 122 7.305 -5.870 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 122 8.916 -3.566 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.886 -4.348 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.761 -5.208 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.256 -6.012 -2.361 1.00 0.00 H new ATOM 1842 N SER A 123 8.839 -3.434 -3.830 1.00 0.00 N ATOM 1843 CA SER A 123 8.535 -3.274 -5.240 1.00 0.00 C ATOM 1844 C SER A 123 9.834 -2.967 -5.968 1.00 0.00 C ATOM 1845 O SER A 123 10.793 -2.512 -5.343 1.00 0.00 O ATOM 1846 CB SER A 123 7.497 -2.173 -5.460 1.00 0.00 C ATOM 1847 OG SER A 123 7.822 -1.002 -4.733 1.00 0.00 O ATOM 0 H SER A 123 9.588 -2.818 -3.513 1.00 0.00 H new ATOM 0 HA SER A 123 8.100 -4.192 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.434 -1.937 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.514 -2.532 -5.154 1.00 0.00 H new ATOM 0 HG SER A 123 7.141 -0.316 -4.895 1.00 0.00 H new ATOM 1853 N VAL A 124 9.871 -3.246 -7.272 1.00 0.00 N ATOM 1854 CA VAL A 124 11.060 -3.064 -8.100 1.00 0.00 C ATOM 1855 C VAL A 124 10.687 -3.142 -9.583 1.00 0.00 C ATOM 1856 O VAL A 124 11.478 -2.624 -10.401 1.00 0.00 O ATOM 1857 CB VAL A 124 12.162 -4.071 -7.698 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.777 -5.519 -8.014 1.00 0.00 C ATOM 1859 CG2 VAL A 124 13.512 -3.744 -8.349 1.00 0.00 C ATOM 1860 OXT VAL A 124 9.607 -3.697 -9.884 1.00 0.00 O ATOM 0 H VAL A 124 9.068 -3.608 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 124 11.475 -2.070 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 124 12.264 -3.973 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.586 -6.185 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.869 -5.781 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.602 -5.624 -9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 124 14.254 -4.479 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 124 13.409 -3.771 -9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.834 -2.750 -8.040 1.00 0.00 H new TER 1870 VAL A 124