USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 104 SER OG : rot -160:sc= 1.19 USER MOD Set 1.2: A 107 SER OG : rot 57:sc= 1.34 USER MOD Set 2.1: A 83 HIS : no HE2:sc= 0.0725 K(o=0.14,f=-1.9) USER MOD Set 2.2: A 91 CYS SG : rot -50:sc= 0.0681 USER MOD Set 3.1: A 55 GLN : amide:sc= 1.4 X(o=2.5,f=2) USER MOD Set 3.2: A 74 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 4 MET CE :methyl -148:sc= 0 (180deg=-0.214) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 17 ASN : amide:sc= -0.0502 K(o=-0.05,f=-1.5!) USER MOD Single : A 23 MET CE :methyl 143:sc= -0.0796 (180deg=-0.696) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.449 K(o=0.45,f=-2.4!) USER MOD Single : A 35 THR OG1 : rot 176:sc= 1.14 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -56:sc= 1.12 USER MOD Single : A 49 TYR OH : rot 40:sc= -0.0391 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.539 (180deg=0.538) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -70:sc= 0.529 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 23:sc= 1.21 USER MOD Single : A 68 SER OG : rot 166:sc= 1.29 USER MOD Single : A 70 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 72 MET CE :methyl 176:sc=-0.00528 (180deg=-0.0266) USER MOD Single : A 77 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.9!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.028) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0352 K(o=-0.035,f=-7.9!) USER MOD Single : A 89 HIS : no HD1:sc= -0.265 K(o=-0.26,f=-1) USER MOD Single : A 93 SER OG : rot 136:sc= 1.31 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.172! USER MOD Single : A 100 SER OG : rot 180:sc= -0.111 USER MOD Single : A 106 GLN : amide:sc= -0.0252 K(o=-0.025,f=-0.89) USER MOD Single : A 109 CYS SG : rot -8:sc= -0.561! USER MOD Single : A 111 SER OG : rot 62:sc= 1.23 USER MOD Single : A 114 SER OG : rot 73:sc= 0.00785 USER MOD Single : A 115 MET CE :methyl 157:sc= -1.44 (180deg=-2.79!) USER MOD Single : A 117 SER OG : rot -29:sc= 0.908 USER MOD Single : A 118 SER OG : rot -65:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -0.228 -9.189 -17.838 1.00 0.00 N ATOM 42 CA MET A 4 -0.194 -8.822 -16.434 1.00 0.00 C ATOM 43 C MET A 4 0.292 -7.385 -16.397 1.00 0.00 C ATOM 44 O MET A 4 -0.182 -6.576 -15.597 1.00 0.00 O ATOM 45 CB MET A 4 0.720 -9.776 -15.663 1.00 0.00 C ATOM 46 CG MET A 4 0.239 -11.217 -15.585 1.00 0.00 C ATOM 47 SD MET A 4 -1.339 -11.401 -14.726 1.00 0.00 S ATOM 48 CE MET A 4 -2.525 -11.447 -16.065 1.00 0.00 C ATOM 0 HA MET A 4 -1.170 -8.899 -15.955 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.706 -9.764 -16.129 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.842 -9.396 -14.649 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.143 -11.615 -16.595 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.993 -11.817 -15.076 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.463 -11.001 -15.736 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.136 -10.887 -16.915 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.700 -12.481 -16.361 1.00 0.00 H new ATOM 58 N GLN A 5 1.224 -7.086 -17.302 1.00 0.00 N ATOM 59 CA GLN A 5 1.755 -5.744 -17.461 1.00 0.00 C ATOM 60 C GLN A 5 0.641 -4.828 -17.952 1.00 0.00 C ATOM 61 O GLN A 5 0.555 -3.685 -17.506 1.00 0.00 O ATOM 62 CB GLN A 5 2.937 -5.757 -18.432 1.00 0.00 C ATOM 63 CG GLN A 5 4.164 -6.469 -17.884 1.00 0.00 C ATOM 64 CD GLN A 5 5.289 -6.554 -18.898 1.00 0.00 C ATOM 65 OE1 GLN A 5 5.060 -6.568 -20.110 1.00 0.00 O ATOM 66 NE2 GLN A 5 6.521 -6.605 -18.404 1.00 0.00 N ATOM 0 H GLN A 5 1.628 -7.770 -17.942 1.00 0.00 H new ATOM 0 HA GLN A 5 2.121 -5.370 -16.505 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.630 -6.241 -19.359 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.204 -4.730 -18.681 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.518 -5.944 -16.997 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.886 -7.475 -17.570 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.667 -6.591 -17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.321 -6.658 -19.034 1.00 0.00 H new ATOM 75 N LYS A 6 -0.199 -5.330 -18.863 1.00 0.00 N ATOM 76 CA LYS A 6 -1.352 -4.589 -19.350 1.00 0.00 C ATOM 77 C LYS A 6 -2.326 -4.318 -18.220 1.00 0.00 C ATOM 78 O LYS A 6 -2.879 -3.222 -18.172 1.00 0.00 O ATOM 79 CB LYS A 6 -2.047 -5.343 -20.481 1.00 0.00 C ATOM 80 CG LYS A 6 -1.270 -5.369 -21.791 1.00 0.00 C ATOM 81 CD LYS A 6 -1.998 -6.171 -22.859 1.00 0.00 C ATOM 82 CE LYS A 6 -1.204 -6.205 -24.156 1.00 0.00 C ATOM 83 NZ LYS A 6 -1.901 -6.990 -25.214 1.00 0.00 N ATOM 0 H LYS A 6 -0.094 -6.256 -19.277 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.999 -3.635 -19.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.228 -6.369 -20.160 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.021 -4.888 -20.660 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.116 -4.349 -22.143 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.283 -5.800 -21.621 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.164 -7.188 -22.504 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.979 -5.733 -23.041 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.040 -5.187 -24.508 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.222 -6.639 -23.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.328 -6.989 -26.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.035 -7.969 -24.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.828 -6.561 -25.411 1.00 0.00 H new ATOM 97 N ARG A 7 -2.552 -5.289 -17.328 1.00 0.00 N ATOM 98 CA ARG A 7 -3.394 -5.027 -16.168 1.00 0.00 C ATOM 99 C ARG A 7 -2.838 -3.910 -15.297 1.00 0.00 C ATOM 100 O ARG A 7 -3.609 -3.077 -14.823 1.00 0.00 O ATOM 101 CB ARG A 7 -3.561 -6.244 -15.286 1.00 0.00 C ATOM 102 CG ARG A 7 -4.316 -5.896 -14.016 1.00 0.00 C ATOM 103 CD ARG A 7 -5.729 -5.509 -14.241 1.00 0.00 C ATOM 104 NE ARG A 7 -6.305 -5.052 -12.990 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.596 -4.805 -12.720 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.555 -4.995 -13.601 1.00 0.00 N ATOM 107 NH2 ARG A 7 -7.835 -4.359 -11.503 1.00 0.00 N ATOM 0 H ARG A 7 -2.174 -6.235 -17.387 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.359 -4.737 -16.584 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.097 -7.021 -15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.582 -6.650 -15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.288 -6.753 -13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.802 -5.077 -13.513 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.787 -4.720 -14.991 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.294 -6.358 -14.626 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.649 -4.900 -12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.330 -5.344 -14.533 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.523 -4.794 -13.352 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.064 -4.226 -10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.790 -4.146 -11.216 1.00 0.00 H new ATOM 121 N LEU A 8 -1.524 -3.916 -15.070 1.00 0.00 N ATOM 122 CA LEU A 8 -0.878 -2.858 -14.306 1.00 0.00 C ATOM 123 C LEU A 8 -1.147 -1.507 -14.965 1.00 0.00 C ATOM 124 O LEU A 8 -1.450 -0.539 -14.268 1.00 0.00 O ATOM 125 CB LEU A 8 0.629 -3.108 -14.183 1.00 0.00 C ATOM 126 CG LEU A 8 1.387 -2.040 -13.391 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.836 -2.004 -11.976 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.871 -2.364 -13.380 1.00 0.00 C ATOM 0 H LEU A 8 -0.891 -4.642 -15.405 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.296 -2.852 -13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.786 -4.076 -13.706 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.057 -3.172 -15.184 1.00 0.00 H new ATOM 0 HG LEU A 8 1.256 -1.062 -13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.366 -1.247 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.226 -1.760 -12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.972 -2.979 -11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.406 -1.601 -12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.028 -3.337 -12.914 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.246 -2.387 -14.403 1.00 0.00 H new ATOM 140 N GLN A 9 -1.013 -1.445 -16.292 1.00 0.00 N ATOM 141 CA GLN A 9 -1.287 -0.239 -17.066 1.00 0.00 C ATOM 142 C GLN A 9 -2.748 0.190 -16.946 1.00 0.00 C ATOM 143 O GLN A 9 -3.040 1.385 -16.930 1.00 0.00 O ATOM 144 CB GLN A 9 -0.940 -0.474 -18.536 1.00 0.00 C ATOM 145 CG GLN A 9 0.546 -0.609 -18.808 1.00 0.00 C ATOM 146 CD GLN A 9 0.831 -0.985 -20.249 1.00 0.00 C ATOM 147 OE1 GLN A 9 -0.037 -1.503 -20.957 1.00 0.00 O ATOM 148 NE2 GLN A 9 2.056 -0.728 -20.693 1.00 0.00 N ATOM 0 H GLN A 9 -0.710 -2.236 -16.860 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.667 0.562 -16.662 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.444 -1.378 -18.877 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.333 0.353 -19.128 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.044 0.332 -18.574 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.968 -1.366 -18.146 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.743 -0.299 -20.074 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.310 -0.960 -21.653 1.00 0.00 H new ATOM 157 N LYS A 10 -3.672 -0.766 -16.893 1.00 0.00 N ATOM 158 CA LYS A 10 -5.074 -0.430 -16.692 1.00 0.00 C ATOM 159 C LYS A 10 -5.274 0.220 -15.327 1.00 0.00 C ATOM 160 O LYS A 10 -6.046 1.173 -15.215 1.00 0.00 O ATOM 161 CB LYS A 10 -5.947 -1.679 -16.824 1.00 0.00 C ATOM 162 CG LYS A 10 -6.060 -2.215 -18.245 1.00 0.00 C ATOM 163 CD LYS A 10 -6.899 -3.481 -18.308 1.00 0.00 C ATOM 164 CE LYS A 10 -6.982 -4.002 -19.736 1.00 0.00 C ATOM 165 NZ LYS A 10 -7.795 -5.246 -19.837 1.00 0.00 N ATOM 0 H LYS A 10 -3.478 -1.763 -16.985 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.374 0.282 -17.461 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.541 -2.462 -16.184 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.946 -1.451 -16.453 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.504 -1.453 -18.886 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.063 -2.420 -18.636 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.464 -4.244 -17.662 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.901 -3.278 -17.931 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.416 -3.234 -20.376 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.976 -4.197 -20.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.823 -5.563 -20.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.368 -5.989 -19.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.763 -5.056 -19.507 1.00 0.00 H new ATOM 179 N GLU A 11 -4.583 -0.294 -14.304 1.00 0.00 N ATOM 180 CA GLU A 11 -4.657 0.272 -12.962 1.00 0.00 C ATOM 181 C GLU A 11 -4.019 1.657 -12.917 1.00 0.00 C ATOM 182 O GLU A 11 -4.502 2.517 -12.181 1.00 0.00 O ATOM 183 CB GLU A 11 -4.002 -0.676 -11.951 1.00 0.00 C ATOM 184 CG GLU A 11 -4.809 -1.958 -11.764 1.00 0.00 C ATOM 185 CD GLU A 11 -4.234 -2.959 -10.799 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.176 -2.719 -10.265 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.862 -3.977 -10.603 1.00 0.00 O ATOM 0 H GLU A 11 -3.966 -1.102 -14.385 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.707 0.388 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.996 -0.927 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.900 -0.169 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.810 -1.689 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.920 -2.440 -12.735 1.00 0.00 H new ATOM 194 N LEU A 12 -2.946 1.856 -13.688 1.00 0.00 N ATOM 195 CA LEU A 12 -2.277 3.146 -13.828 1.00 0.00 C ATOM 196 C LEU A 12 -3.264 4.187 -14.287 1.00 0.00 C ATOM 197 O LEU A 12 -3.418 5.230 -13.651 1.00 0.00 O ATOM 198 CB LEU A 12 -1.142 3.060 -14.862 1.00 0.00 C ATOM 199 CG LEU A 12 -0.382 4.347 -15.191 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.321 4.863 -13.951 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.611 4.049 -16.303 1.00 0.00 C ATOM 0 H LEU A 12 -2.514 1.114 -14.238 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.863 3.420 -12.857 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.420 2.325 -14.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.562 2.672 -15.790 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.072 5.122 -15.526 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.860 5.779 -14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.416 5.069 -13.175 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.025 4.112 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.162 4.956 -16.551 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.308 3.280 -15.972 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.075 3.698 -17.185 1.00 0.00 H new ATOM 213 N LEU A 13 -3.927 3.863 -15.390 1.00 0.00 N ATOM 214 CA LEU A 13 -4.904 4.737 -15.997 1.00 0.00 C ATOM 215 C LEU A 13 -6.103 4.964 -15.096 1.00 0.00 C ATOM 216 O LEU A 13 -6.634 6.070 -15.079 1.00 0.00 O ATOM 217 CB LEU A 13 -5.351 4.127 -17.323 1.00 0.00 C ATOM 218 CG LEU A 13 -4.265 4.102 -18.405 1.00 0.00 C ATOM 219 CD1 LEU A 13 -4.774 3.317 -19.605 1.00 0.00 C ATOM 220 CD2 LEU A 13 -3.903 5.531 -18.777 1.00 0.00 C ATOM 0 H LEU A 13 -3.796 2.981 -15.885 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.441 5.710 -16.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.692 3.107 -17.144 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.207 4.688 -17.697 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.364 3.609 -18.038 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.006 3.296 -20.378 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.010 2.298 -19.299 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.671 3.795 -19.998 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.131 5.522 -19.546 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.787 6.043 -19.156 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.531 6.053 -17.896 1.00 0.00 H new ATOM 232 N ALA A 14 -6.539 3.939 -14.362 1.00 0.00 N ATOM 233 CA ALA A 14 -7.654 4.095 -13.438 1.00 0.00 C ATOM 234 C ALA A 14 -7.333 5.111 -12.350 1.00 0.00 C ATOM 235 O ALA A 14 -8.159 5.978 -12.055 1.00 0.00 O ATOM 236 CB ALA A 14 -8.001 2.755 -12.810 1.00 0.00 C ATOM 0 H ALA A 14 -6.139 3.001 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.511 4.463 -14.003 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.836 2.882 -12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.280 2.048 -13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.137 2.373 -12.267 1.00 0.00 H new ATOM 242 N LEU A 15 -6.138 5.010 -11.767 1.00 0.00 N ATOM 243 CA LEU A 15 -5.726 5.940 -10.726 1.00 0.00 C ATOM 244 C LEU A 15 -5.530 7.348 -11.258 1.00 0.00 C ATOM 245 O LEU A 15 -5.836 8.317 -10.564 1.00 0.00 O ATOM 246 CB LEU A 15 -4.420 5.460 -10.087 1.00 0.00 C ATOM 247 CG LEU A 15 -4.508 4.185 -9.239 1.00 0.00 C ATOM 248 CD1 LEU A 15 -3.107 3.752 -8.837 1.00 0.00 C ATOM 249 CD2 LEU A 15 -5.354 4.459 -8.006 1.00 0.00 C ATOM 0 H LEU A 15 -5.446 4.298 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.525 5.968 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.692 5.294 -10.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.031 6.262 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.973 3.385 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.165 2.846 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.516 3.555 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.634 4.544 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.419 3.555 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.896 5.256 -7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.355 4.763 -8.312 1.00 0.00 H new ATOM 261 N GLN A 16 -5.012 7.467 -12.477 1.00 0.00 N ATOM 262 CA GLN A 16 -4.828 8.772 -13.089 1.00 0.00 C ATOM 263 C GLN A 16 -6.147 9.435 -13.466 1.00 0.00 C ATOM 264 O GLN A 16 -6.312 10.640 -13.272 1.00 0.00 O ATOM 265 CB GLN A 16 -3.940 8.639 -14.328 1.00 0.00 C ATOM 266 CG GLN A 16 -2.489 8.307 -14.021 1.00 0.00 C ATOM 267 CD GLN A 16 -1.678 8.077 -15.279 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.207 7.635 -16.303 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.386 8.381 -15.216 1.00 0.00 N ATOM 0 H GLN A 16 -4.715 6.680 -13.054 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.348 9.412 -12.349 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.350 7.862 -14.974 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.977 9.573 -14.890 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.045 9.121 -13.448 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.446 7.416 -13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.011 8.744 -14.349 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.209 8.251 -16.034 1.00 0.00 H new ATOM 278 N ASN A 17 -7.083 8.659 -14.007 1.00 0.00 N ATOM 279 CA ASN A 17 -8.379 9.195 -14.394 1.00 0.00 C ATOM 280 C ASN A 17 -9.251 9.571 -13.207 1.00 0.00 C ATOM 281 O ASN A 17 -9.981 10.561 -13.273 1.00 0.00 O ATOM 282 CB ASN A 17 -9.109 8.202 -15.275 1.00 0.00 C ATOM 283 CG ASN A 17 -8.517 8.128 -16.655 1.00 0.00 C ATOM 284 OD1 ASN A 17 -7.820 9.047 -17.099 1.00 0.00 O ATOM 285 ND2 ASN A 17 -8.786 7.049 -17.345 1.00 0.00 N ATOM 0 H ASN A 17 -6.966 7.662 -14.186 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.184 10.115 -14.945 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.075 7.215 -14.813 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.159 8.485 -15.346 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.415 6.942 -18.289 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.366 6.315 -16.938 1.00 0.00 H new ATOM 292 N ASP A 18 -9.195 8.797 -12.128 1.00 0.00 N ATOM 293 CA ASP A 18 -9.991 9.146 -10.964 1.00 0.00 C ATOM 294 C ASP A 18 -9.352 8.632 -9.677 1.00 0.00 C ATOM 295 O ASP A 18 -9.632 7.503 -9.273 1.00 0.00 O ATOM 296 CB ASP A 18 -11.402 8.570 -11.121 1.00 0.00 C ATOM 297 CG ASP A 18 -12.377 8.984 -10.027 1.00 0.00 C ATOM 298 OD1 ASP A 18 -11.969 9.652 -9.108 1.00 0.00 O ATOM 299 OD2 ASP A 18 -13.527 8.624 -10.124 1.00 0.00 O ATOM 0 H ASP A 18 -8.628 7.954 -12.037 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.043 10.233 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.803 8.882 -12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.337 7.482 -11.140 1.00 0.00 H new ATOM 304 N PRO A 19 -8.491 9.426 -9.032 1.00 0.00 N ATOM 305 CA PRO A 19 -7.857 9.085 -7.780 1.00 0.00 C ATOM 306 C PRO A 19 -8.886 8.794 -6.679 1.00 0.00 C ATOM 307 O PRO A 19 -9.870 9.528 -6.559 1.00 0.00 O ATOM 308 CB PRO A 19 -7.043 10.355 -7.504 1.00 0.00 C ATOM 309 CG PRO A 19 -6.797 10.953 -8.865 1.00 0.00 C ATOM 310 CD PRO A 19 -8.047 10.671 -9.671 1.00 0.00 C ATOM 0 HA PRO A 19 -7.256 8.176 -7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.590 11.045 -6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.106 10.123 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.611 12.025 -8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.920 10.508 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.785 11.468 -9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.837 10.542 -10.733 1.00 0.00 H new ATOM 318 N PRO A 20 -8.678 7.764 -5.859 1.00 0.00 N ATOM 319 CA PRO A 20 -9.557 7.369 -4.777 1.00 0.00 C ATOM 320 C PRO A 20 -9.512 8.322 -3.571 1.00 0.00 C ATOM 321 O PRO A 20 -8.550 9.071 -3.428 1.00 0.00 O ATOM 322 CB PRO A 20 -9.003 5.973 -4.483 1.00 0.00 C ATOM 323 CG PRO A 20 -7.554 6.025 -4.892 1.00 0.00 C ATOM 324 CD PRO A 20 -7.489 6.940 -6.083 1.00 0.00 C ATOM 0 HA PRO A 20 -10.619 7.390 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.105 5.724 -3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.543 5.210 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.933 6.400 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.184 5.031 -5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.573 7.531 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.535 6.395 -7.026 1.00 0.00 H new ATOM 332 N PRO A 21 -10.533 8.326 -2.708 1.00 0.00 N ATOM 333 CA PRO A 21 -10.644 9.217 -1.566 1.00 0.00 C ATOM 334 C PRO A 21 -9.432 9.292 -0.649 1.00 0.00 C ATOM 335 O PRO A 21 -9.086 8.325 0.030 1.00 0.00 O ATOM 336 CB PRO A 21 -11.837 8.583 -0.841 1.00 0.00 C ATOM 337 CG PRO A 21 -12.640 7.927 -1.930 1.00 0.00 C ATOM 338 CD PRO A 21 -11.625 7.363 -2.895 1.00 0.00 C ATOM 0 HA PRO A 21 -10.745 10.258 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.508 7.856 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.425 9.334 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.278 7.140 -1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.293 8.646 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.330 6.345 -2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.992 7.343 -3.921 1.00 0.00 H new ATOM 346 N GLY A 22 -8.808 10.468 -0.621 1.00 0.00 N ATOM 347 CA GLY A 22 -7.651 10.746 0.226 1.00 0.00 C ATOM 348 C GLY A 22 -6.330 10.217 -0.330 1.00 0.00 C ATOM 349 O GLY A 22 -5.293 10.329 0.322 1.00 0.00 O ATOM 0 H GLY A 22 -9.095 11.263 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.568 11.824 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.820 10.308 1.210 1.00 0.00 H new ATOM 353 N MET A 23 -6.344 9.645 -1.533 1.00 0.00 N ATOM 354 CA MET A 23 -5.144 9.058 -2.120 1.00 0.00 C ATOM 355 C MET A 23 -4.906 9.509 -3.562 1.00 0.00 C ATOM 356 O MET A 23 -5.806 9.463 -4.399 1.00 0.00 O ATOM 357 CB MET A 23 -5.311 7.543 -2.051 1.00 0.00 C ATOM 358 CG MET A 23 -5.352 6.920 -0.661 1.00 0.00 C ATOM 359 SD MET A 23 -5.902 5.207 -0.695 1.00 0.00 S ATOM 360 CE MET A 23 -7.668 5.416 -0.869 1.00 0.00 C ATOM 0 H MET A 23 -7.175 9.576 -2.120 1.00 0.00 H new ATOM 0 HA MET A 23 -4.269 9.391 -1.562 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.233 7.279 -2.569 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.491 7.085 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.360 6.972 -0.213 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.020 7.501 -0.025 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.064 4.637 -1.520 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.141 5.346 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.878 6.393 -1.304 1.00 0.00 H new ATOM 370 N THR A 24 -3.686 9.923 -3.884 1.00 0.00 N ATOM 371 CA THR A 24 -3.416 10.360 -5.246 1.00 0.00 C ATOM 372 C THR A 24 -2.153 9.743 -5.814 1.00 0.00 C ATOM 373 O THR A 24 -1.074 9.818 -5.226 1.00 0.00 O ATOM 374 CB THR A 24 -3.289 11.897 -5.326 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.502 12.512 -4.872 1.00 0.00 O ATOM 376 CG2 THR A 24 -3.027 12.328 -6.763 1.00 0.00 C ATOM 0 H THR A 24 -2.893 9.965 -3.244 1.00 0.00 H new ATOM 0 HA THR A 24 -4.266 10.024 -5.839 1.00 0.00 H new ATOM 0 HB THR A 24 -2.458 12.208 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.414 13.487 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.939 13.414 -6.807 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.101 11.875 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.853 12.005 -7.396 1.00 0.00 H new ATOM 384 N LEU A 25 -2.282 9.133 -6.986 1.00 0.00 N ATOM 385 CA LEU A 25 -1.098 8.579 -7.612 1.00 0.00 C ATOM 386 C LEU A 25 -0.252 9.747 -8.076 1.00 0.00 C ATOM 387 O LEU A 25 -0.662 10.519 -8.942 1.00 0.00 O ATOM 388 CB LEU A 25 -1.458 7.674 -8.797 1.00 0.00 C ATOM 389 CG LEU A 25 -0.273 7.030 -9.531 1.00 0.00 C ATOM 390 CD1 LEU A 25 0.462 6.070 -8.615 1.00 0.00 C ATOM 391 CD2 LEU A 25 -0.777 6.293 -10.754 1.00 0.00 C ATOM 0 H LEU A 25 -3.155 9.014 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.555 7.959 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.113 6.880 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.031 8.259 -9.516 1.00 0.00 H new ATOM 0 HG LEU A 25 0.420 7.813 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.299 5.623 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.836 6.611 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.220 5.285 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.064 5.836 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.479 5.518 -10.448 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.279 6.994 -11.420 1.00 0.00 H new ATOM 403 N ASN A 26 0.931 9.868 -7.494 1.00 0.00 N ATOM 404 CA ASN A 26 1.865 10.926 -7.832 1.00 0.00 C ATOM 405 C ASN A 26 2.957 10.295 -8.675 1.00 0.00 C ATOM 406 O ASN A 26 4.127 10.294 -8.294 1.00 0.00 O ATOM 407 CB ASN A 26 2.402 11.582 -6.569 1.00 0.00 C ATOM 408 CG ASN A 26 3.219 12.813 -6.845 1.00 0.00 C ATOM 409 OD1 ASN A 26 3.512 13.118 -8.007 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.589 13.532 -5.815 1.00 0.00 N ATOM 0 H ASN A 26 1.270 9.232 -6.772 1.00 0.00 H new ATOM 0 HA ASN A 26 1.385 11.724 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.567 11.846 -5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.013 10.862 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.140 14.379 -5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.326 13.245 -4.872 1.00 0.00 H new ATOM 542 N THR A 35 8.781 0.020 -13.025 1.00 0.00 N ATOM 543 CA THR A 35 7.671 -0.321 -12.135 1.00 0.00 C ATOM 544 C THR A 35 7.880 0.090 -10.684 1.00 0.00 C ATOM 545 O THR A 35 8.032 -0.770 -9.817 1.00 0.00 O ATOM 546 CB THR A 35 7.396 -1.824 -12.104 1.00 0.00 C ATOM 547 OG1 THR A 35 8.578 -2.533 -11.711 1.00 0.00 O ATOM 548 CG2 THR A 35 6.917 -2.329 -13.455 1.00 0.00 C ATOM 0 HA THR A 35 6.837 0.238 -12.560 1.00 0.00 H new ATOM 0 HB THR A 35 6.605 -2.004 -11.376 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.373 -3.487 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.731 -3.401 -13.397 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.996 -1.815 -13.730 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.680 -2.133 -14.208 1.00 0.00 H new ATOM 556 N GLN A 36 7.873 1.393 -10.430 1.00 0.00 N ATOM 557 CA GLN A 36 8.052 1.992 -9.111 1.00 0.00 C ATOM 558 C GLN A 36 7.107 3.179 -8.982 1.00 0.00 C ATOM 559 O GLN A 36 7.453 4.282 -9.405 1.00 0.00 O ATOM 560 CB GLN A 36 9.504 2.439 -8.894 1.00 0.00 C ATOM 561 CG GLN A 36 10.538 1.327 -8.836 1.00 0.00 C ATOM 562 CD GLN A 36 11.935 1.861 -8.586 1.00 0.00 C ATOM 563 OE1 GLN A 36 12.118 3.048 -8.302 1.00 0.00 O ATOM 564 NE2 GLN A 36 12.933 0.991 -8.692 1.00 0.00 N ATOM 0 H GLN A 36 7.737 2.088 -11.164 1.00 0.00 H new ATOM 0 HA GLN A 36 7.823 1.248 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.778 3.122 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.555 3.005 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.272 0.625 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.525 0.771 -9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.738 0.018 -8.929 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.894 1.296 -8.537 1.00 0.00 H new ATOM 573 N TRP A 37 5.927 2.967 -8.400 1.00 0.00 N ATOM 574 CA TRP A 37 4.961 4.058 -8.337 1.00 0.00 C ATOM 575 C TRP A 37 4.866 4.760 -7.003 1.00 0.00 C ATOM 576 O TRP A 37 4.835 4.133 -5.949 1.00 0.00 O ATOM 577 CB TRP A 37 3.548 3.568 -8.616 1.00 0.00 C ATOM 578 CG TRP A 37 3.280 3.054 -9.988 1.00 0.00 C ATOM 579 CD1 TRP A 37 4.128 2.943 -11.050 1.00 0.00 C ATOM 580 CD2 TRP A 37 2.009 2.532 -10.428 1.00 0.00 C ATOM 581 NE1 TRP A 37 3.474 2.380 -12.115 1.00 0.00 N ATOM 582 CE2 TRP A 37 2.180 2.115 -11.748 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.766 2.381 -9.807 1.00 0.00 C ATOM 584 CZ2 TRP A 37 1.150 1.541 -12.463 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.267 1.810 -10.530 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.073 1.398 -11.816 1.00 0.00 C ATOM 0 H TRP A 37 5.626 2.087 -7.982 1.00 0.00 H new ATOM 0 HA TRP A 37 5.338 4.751 -9.089 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.315 2.776 -7.904 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.858 4.388 -8.418 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.163 3.253 -11.052 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.883 2.190 -13.030 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.615 2.702 -8.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.287 1.216 -13.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.237 1.689 -10.071 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.896 0.946 -12.349 1.00 0.00 H new ATOM 597 N ILE A 38 4.796 6.081 -7.061 1.00 0.00 N ATOM 598 CA ILE A 38 4.636 6.892 -5.865 1.00 0.00 C ATOM 599 C ILE A 38 3.200 7.345 -5.630 1.00 0.00 C ATOM 600 O ILE A 38 2.595 7.935 -6.519 1.00 0.00 O ATOM 601 CB ILE A 38 5.551 8.118 -5.940 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.006 7.647 -6.002 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.294 9.033 -4.757 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.985 8.750 -6.323 1.00 0.00 C ATOM 0 H ILE A 38 4.848 6.616 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 38 4.912 6.258 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 38 5.341 8.695 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.276 7.200 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.094 6.864 -6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.950 9.902 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.255 9.361 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.493 8.494 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.996 8.343 -6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.741 9.182 -7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.926 9.523 -5.557 1.00 0.00 H new ATOM 616 N VAL A 39 2.658 7.037 -4.452 1.00 0.00 N ATOM 617 CA VAL A 39 1.302 7.438 -4.084 1.00 0.00 C ATOM 618 C VAL A 39 1.291 8.315 -2.842 1.00 0.00 C ATOM 619 O VAL A 39 1.824 7.945 -1.798 1.00 0.00 O ATOM 620 CB VAL A 39 0.388 6.228 -3.801 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.987 6.740 -3.381 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.274 5.343 -5.031 1.00 0.00 C ATOM 0 H VAL A 39 3.144 6.505 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 39 0.925 7.992 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 39 0.817 5.627 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.644 5.894 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.890 7.348 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.411 7.344 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.375 4.495 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.148 5.918 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.263 4.980 -5.311 1.00 0.00 H new ATOM 632 N ASP A 40 0.672 9.481 -2.930 1.00 0.00 N ATOM 633 CA ASP A 40 0.606 10.347 -1.765 1.00 0.00 C ATOM 634 C ASP A 40 -0.761 10.210 -1.098 1.00 0.00 C ATOM 635 O ASP A 40 -1.771 10.025 -1.774 1.00 0.00 O ATOM 636 CB ASP A 40 0.882 11.802 -2.142 1.00 0.00 C ATOM 637 CG ASP A 40 2.327 12.087 -2.567 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.179 11.255 -2.366 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.573 13.173 -3.044 1.00 0.00 O ATOM 0 H ASP A 40 0.220 9.842 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 40 1.378 10.040 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.215 12.086 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.635 12.437 -1.291 1.00 0.00 H new ATOM 644 N MET A 41 -0.832 10.292 0.227 1.00 0.00 N ATOM 645 CA MET A 41 -2.164 10.195 0.814 1.00 0.00 C ATOM 646 C MET A 41 -2.305 10.897 2.158 1.00 0.00 C ATOM 647 O MET A 41 -1.334 11.167 2.860 1.00 0.00 O ATOM 648 CB MET A 41 -2.563 8.723 0.950 1.00 0.00 C ATOM 649 CG MET A 41 -1.711 7.888 1.883 1.00 0.00 C ATOM 650 SD MET A 41 -2.185 6.148 1.936 1.00 0.00 S ATOM 651 CE MET A 41 -1.094 5.512 3.209 1.00 0.00 C ATOM 0 H MET A 41 -0.051 10.415 0.872 1.00 0.00 H new ATOM 0 HA MET A 41 -2.836 10.716 0.131 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.596 8.677 1.295 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.537 8.267 -0.040 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.669 7.962 1.573 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.775 8.304 2.889 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.278 4.447 3.347 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.057 5.665 2.910 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.283 6.037 4.145 1.00 0.00 H new ATOM 661 N GLU A 42 -3.551 11.195 2.511 1.00 0.00 N ATOM 662 CA GLU A 42 -3.875 11.885 3.753 1.00 0.00 C ATOM 663 C GLU A 42 -4.521 10.964 4.779 1.00 0.00 C ATOM 664 O GLU A 42 -5.397 10.171 4.431 1.00 0.00 O ATOM 665 CB GLU A 42 -4.803 13.066 3.467 1.00 0.00 C ATOM 666 CG GLU A 42 -5.171 13.889 4.691 1.00 0.00 C ATOM 667 CD GLU A 42 -6.046 15.066 4.363 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.367 15.240 3.211 1.00 0.00 O ATOM 669 OE2 GLU A 42 -6.392 15.798 5.261 1.00 0.00 O ATOM 0 H GLU A 42 -4.366 10.964 1.942 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.936 12.240 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.325 13.719 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.718 12.690 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.684 13.251 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.259 14.243 5.172 1.00 0.00 H new ATOM 676 N GLY A 43 -4.066 11.053 6.029 1.00 0.00 N ATOM 677 CA GLY A 43 -4.638 10.254 7.104 1.00 0.00 C ATOM 678 C GLY A 43 -6.138 10.467 7.242 1.00 0.00 C ATOM 679 O GLY A 43 -6.617 11.602 7.266 1.00 0.00 O ATOM 0 H GLY A 43 -3.306 11.669 6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.438 9.199 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.148 10.509 8.044 1.00 0.00 H new ATOM 683 N ALA A 44 -6.843 9.355 7.433 1.00 0.00 N ATOM 684 CA ALA A 44 -8.298 9.300 7.489 1.00 0.00 C ATOM 685 C ALA A 44 -8.928 10.031 8.687 1.00 0.00 C ATOM 686 O ALA A 44 -8.371 9.988 9.788 1.00 0.00 O ATOM 687 CB ALA A 44 -8.738 7.845 7.530 1.00 0.00 C ATOM 0 H ALA A 44 -6.404 8.443 7.556 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.647 9.817 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.826 7.795 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.386 7.333 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.318 7.363 8.413 1.00 0.00 H new ATOM 693 N PRO A 45 -10.084 10.687 8.486 1.00 0.00 N ATOM 694 CA PRO A 45 -10.836 11.388 9.506 1.00 0.00 C ATOM 695 C PRO A 45 -11.168 10.551 10.725 1.00 0.00 C ATOM 696 O PRO A 45 -11.699 9.445 10.609 1.00 0.00 O ATOM 697 CB PRO A 45 -12.099 11.771 8.729 1.00 0.00 C ATOM 698 CG PRO A 45 -11.633 11.908 7.312 1.00 0.00 C ATOM 699 CD PRO A 45 -10.599 10.829 7.115 1.00 0.00 C ATOM 0 HA PRO A 45 -10.281 12.221 9.937 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.871 11.007 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.527 12.703 9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.462 11.788 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.207 12.895 7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.034 9.903 6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.822 11.125 6.410 1.00 0.00 H new ATOM 707 N GLY A 46 -10.870 11.099 11.897 1.00 0.00 N ATOM 708 CA GLY A 46 -11.145 10.426 13.155 1.00 0.00 C ATOM 709 C GLY A 46 -9.988 9.562 13.647 1.00 0.00 C ATOM 710 O GLY A 46 -10.029 9.083 14.782 1.00 0.00 O ATOM 0 H GLY A 46 -10.434 12.016 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.379 11.172 13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.031 9.801 13.038 1.00 0.00 H new ATOM 714 N THR A 47 -8.963 9.344 12.820 1.00 0.00 N ATOM 715 CA THR A 47 -7.851 8.522 13.269 1.00 0.00 C ATOM 716 C THR A 47 -6.801 9.345 13.989 1.00 0.00 C ATOM 717 O THR A 47 -6.774 10.573 13.904 1.00 0.00 O ATOM 718 CB THR A 47 -7.170 7.801 12.100 1.00 0.00 C ATOM 719 OG1 THR A 47 -6.585 8.774 11.227 1.00 0.00 O ATOM 720 CG2 THR A 47 -8.170 6.963 11.324 1.00 0.00 C ATOM 0 H THR A 47 -8.884 9.712 11.872 1.00 0.00 H new ATOM 0 HA THR A 47 -8.278 7.789 13.954 1.00 0.00 H new ATOM 0 HB THR A 47 -6.401 7.139 12.497 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.274 9.406 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.663 6.462 10.500 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.611 6.218 11.986 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.955 7.607 10.928 1.00 0.00 H new ATOM 728 N LEU A 48 -5.878 8.647 14.639 1.00 0.00 N ATOM 729 CA LEU A 48 -4.799 9.274 15.394 1.00 0.00 C ATOM 730 C LEU A 48 -3.812 10.011 14.495 1.00 0.00 C ATOM 731 O LEU A 48 -3.078 10.887 14.955 1.00 0.00 O ATOM 732 CB LEU A 48 -4.050 8.209 16.201 1.00 0.00 C ATOM 733 CG LEU A 48 -4.859 7.555 17.327 1.00 0.00 C ATOM 734 CD1 LEU A 48 -4.040 6.433 17.950 1.00 0.00 C ATOM 735 CD2 LEU A 48 -5.218 8.614 18.358 1.00 0.00 C ATOM 0 H LEU A 48 -5.856 7.627 14.658 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.253 10.009 16.059 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.712 7.430 15.518 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.158 8.663 16.633 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.781 7.126 16.935 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.613 5.966 18.751 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.806 5.688 17.190 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.114 6.841 18.356 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.794 8.158 19.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.305 9.049 18.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.812 9.396 17.885 1.00 0.00 H new ATOM 747 N TYR A 49 -3.792 9.644 13.219 1.00 0.00 N ATOM 748 CA TYR A 49 -2.937 10.259 12.229 1.00 0.00 C ATOM 749 C TYR A 49 -3.721 11.075 11.202 1.00 0.00 C ATOM 750 O TYR A 49 -3.209 11.304 10.106 1.00 0.00 O ATOM 751 CB TYR A 49 -2.126 9.159 11.559 1.00 0.00 C ATOM 752 CG TYR A 49 -3.000 8.064 10.999 1.00 0.00 C ATOM 753 CD1 TYR A 49 -3.492 8.160 9.712 1.00 0.00 C ATOM 754 CD2 TYR A 49 -3.319 6.970 11.782 1.00 0.00 C ATOM 755 CE1 TYR A 49 -4.295 7.170 9.183 1.00 0.00 C ATOM 756 CE2 TYR A 49 -4.127 5.985 11.262 1.00 0.00 C ATOM 757 CZ TYR A 49 -4.612 6.076 9.971 1.00 0.00 C ATOM 758 OH TYR A 49 -5.412 5.082 9.464 1.00 0.00 O ATOM 0 H TYR A 49 -4.380 8.900 12.845 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.275 10.970 12.724 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.527 9.590 10.756 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.430 8.732 12.281 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.245 9.022 9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.939 6.890 12.790 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.669 7.247 8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.385 5.131 11.870 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.171 4.913 8.529 1.00 0.00 H new ATOM 768 N GLU A 50 -4.951 11.486 11.543 1.00 0.00 N ATOM 769 CA GLU A 50 -5.771 12.307 10.657 1.00 0.00 C ATOM 770 C GLU A 50 -5.056 13.539 10.133 1.00 0.00 C ATOM 771 O GLU A 50 -4.560 14.359 10.908 1.00 0.00 O ATOM 772 CB GLU A 50 -7.035 12.780 11.374 1.00 0.00 C ATOM 773 CG GLU A 50 -7.910 13.683 10.513 1.00 0.00 C ATOM 774 CD GLU A 50 -9.148 14.172 11.211 1.00 0.00 C ATOM 775 OE1 GLU A 50 -9.515 13.595 12.208 1.00 0.00 O ATOM 776 OE2 GLU A 50 -9.732 15.125 10.751 1.00 0.00 O ATOM 0 H GLU A 50 -5.397 11.259 12.432 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.009 11.661 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.615 11.911 11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.752 13.315 12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.322 14.543 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.201 13.141 9.614 1.00 0.00 H new ATOM 783 N GLY A 51 -5.025 13.683 8.810 1.00 0.00 N ATOM 784 CA GLY A 51 -4.370 14.827 8.191 1.00 0.00 C ATOM 785 C GLY A 51 -2.886 14.618 7.890 1.00 0.00 C ATOM 786 O GLY A 51 -2.272 15.459 7.231 1.00 0.00 O ATOM 0 H GLY A 51 -5.443 13.025 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.886 15.067 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.477 15.691 8.847 1.00 0.00 H new ATOM 790 N GLU A 52 -2.297 13.522 8.367 1.00 0.00 N ATOM 791 CA GLU A 52 -0.883 13.263 8.135 1.00 0.00 C ATOM 792 C GLU A 52 -0.615 12.871 6.697 1.00 0.00 C ATOM 793 O GLU A 52 -1.372 12.112 6.096 1.00 0.00 O ATOM 794 CB GLU A 52 -0.373 12.173 9.081 1.00 0.00 C ATOM 795 CG GLU A 52 1.117 11.880 8.969 1.00 0.00 C ATOM 796 CD GLU A 52 1.599 10.895 9.998 1.00 0.00 C ATOM 797 OE1 GLU A 52 0.819 10.510 10.834 1.00 0.00 O ATOM 798 OE2 GLU A 52 2.748 10.525 9.957 1.00 0.00 O ATOM 0 H GLU A 52 -2.776 12.806 8.912 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.345 14.189 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.595 12.468 10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.926 11.254 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.332 11.492 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.674 12.811 9.075 1.00 0.00 H new ATOM 805 N LYS A 53 0.432 13.445 6.114 1.00 0.00 N ATOM 806 CA LYS A 53 0.767 13.084 4.747 1.00 0.00 C ATOM 807 C LYS A 53 1.670 11.863 4.721 1.00 0.00 C ATOM 808 O LYS A 53 2.703 11.823 5.391 1.00 0.00 O ATOM 809 CB LYS A 53 1.448 14.213 3.979 1.00 0.00 C ATOM 810 CG LYS A 53 1.661 13.793 2.531 1.00 0.00 C ATOM 811 CD LYS A 53 2.271 14.849 1.626 1.00 0.00 C ATOM 812 CE LYS A 53 2.347 14.242 0.235 1.00 0.00 C ATOM 813 NZ LYS A 53 2.919 15.128 -0.814 1.00 0.00 N ATOM 0 H LYS A 53 1.042 14.137 6.549 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.181 12.868 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.836 15.114 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.405 14.455 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.304 12.913 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.700 13.493 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.662 15.753 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.262 15.135 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.946 13.333 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.343 13.946 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.913 14.632 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.348 15.994 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.897 15.378 -0.562 1.00 0.00 H new ATOM 827 N PHE A 54 1.268 10.874 3.939 1.00 0.00 N ATOM 828 CA PHE A 54 2.014 9.642 3.781 1.00 0.00 C ATOM 829 C PHE A 54 2.424 9.468 2.333 1.00 0.00 C ATOM 830 O PHE A 54 1.817 10.034 1.424 1.00 0.00 O ATOM 831 CB PHE A 54 1.152 8.448 4.136 1.00 0.00 C ATOM 832 CG PHE A 54 0.666 8.404 5.546 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.441 7.854 6.552 1.00 0.00 C ATOM 834 CD2 PHE A 54 -0.579 8.920 5.859 1.00 0.00 C ATOM 835 CE1 PHE A 54 0.984 7.815 7.851 1.00 0.00 C ATOM 836 CE2 PHE A 54 -1.037 8.883 7.157 1.00 0.00 C ATOM 837 CZ PHE A 54 -0.258 8.330 8.151 1.00 0.00 C ATOM 0 H PHE A 54 0.407 10.907 3.393 1.00 0.00 H new ATOM 0 HA PHE A 54 2.884 9.698 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.288 8.435 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.720 7.539 3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.415 7.451 6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.193 9.353 5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.596 7.383 8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.009 9.288 7.397 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.622 8.300 9.167 1.00 0.00 H new ATOM 847 N GLN A 55 3.455 8.666 2.114 1.00 0.00 N ATOM 848 CA GLN A 55 3.898 8.414 0.754 1.00 0.00 C ATOM 849 C GLN A 55 4.301 6.963 0.576 1.00 0.00 C ATOM 850 O GLN A 55 5.183 6.465 1.271 1.00 0.00 O ATOM 851 CB GLN A 55 5.053 9.331 0.392 1.00 0.00 C ATOM 852 CG GLN A 55 5.509 9.180 -1.040 1.00 0.00 C ATOM 853 CD GLN A 55 6.592 10.177 -1.373 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.768 9.965 -1.050 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.182 11.268 -2.012 1.00 0.00 N ATOM 0 H GLN A 55 3.988 8.190 2.841 1.00 0.00 H new ATOM 0 HA GLN A 55 3.064 8.621 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.755 10.365 0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.892 9.127 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.880 8.168 -1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.662 9.321 -1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.196 11.380 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.853 11.993 -2.266 1.00 0.00 H new ATOM 864 N LEU A 56 3.651 6.294 -0.368 1.00 0.00 N ATOM 865 CA LEU A 56 3.892 4.888 -0.644 1.00 0.00 C ATOM 866 C LEU A 56 4.657 4.642 -1.931 1.00 0.00 C ATOM 867 O LEU A 56 4.433 5.310 -2.937 1.00 0.00 O ATOM 868 CB LEU A 56 2.551 4.165 -0.748 1.00 0.00 C ATOM 869 CG LEU A 56 1.654 4.213 0.485 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.325 3.558 0.151 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.360 3.486 1.613 1.00 0.00 C ATOM 0 H LEU A 56 2.939 6.715 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 56 4.502 4.513 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.000 4.588 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.745 3.120 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 56 1.459 5.240 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.325 3.587 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.149 4.095 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.494 2.522 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.736 3.508 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.541 2.451 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.311 3.976 1.823 1.00 0.00 H new ATOM 883 N LEU A 57 5.559 3.670 -1.902 1.00 0.00 N ATOM 884 CA LEU A 57 6.292 3.271 -3.090 1.00 0.00 C ATOM 885 C LEU A 57 5.925 1.842 -3.430 1.00 0.00 C ATOM 886 O LEU A 57 6.142 0.944 -2.621 1.00 0.00 O ATOM 887 CB LEU A 57 7.801 3.378 -2.890 1.00 0.00 C ATOM 888 CG LEU A 57 8.640 2.915 -4.087 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.357 3.841 -5.260 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.115 2.936 -3.718 1.00 0.00 C ATOM 0 H LEU A 57 5.800 3.143 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 57 6.021 3.943 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.052 4.415 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.081 2.788 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 57 8.379 1.894 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.946 3.527 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.297 3.798 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.625 4.862 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.708 2.606 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.407 3.950 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.289 2.267 -2.875 1.00 0.00 H new ATOM 902 N PHE A 58 5.364 1.641 -4.617 1.00 0.00 N ATOM 903 CA PHE A 58 4.945 0.332 -5.096 1.00 0.00 C ATOM 904 C PHE A 58 5.826 -0.265 -6.176 1.00 0.00 C ATOM 905 O PHE A 58 5.968 0.307 -7.255 1.00 0.00 O ATOM 906 CB PHE A 58 3.566 0.469 -5.719 1.00 0.00 C ATOM 907 CG PHE A 58 2.433 0.716 -4.783 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.199 1.941 -4.178 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.568 -0.334 -4.544 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.123 2.081 -3.321 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.498 -0.190 -3.695 1.00 0.00 C ATOM 912 CZ PHE A 58 0.280 1.017 -3.076 1.00 0.00 C ATOM 0 H PHE A 58 5.186 2.394 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 58 4.987 -0.322 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.597 1.286 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.353 -0.442 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.852 2.779 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.736 -1.283 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.941 3.031 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.168 -1.021 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.552 1.133 -2.397 1.00 0.00 H new ATOM 922 N LYS A 59 6.410 -1.429 -5.906 1.00 0.00 N ATOM 923 CA LYS A 59 7.238 -2.049 -6.927 1.00 0.00 C ATOM 924 C LYS A 59 6.485 -3.209 -7.558 1.00 0.00 C ATOM 925 O LYS A 59 5.882 -4.026 -6.858 1.00 0.00 O ATOM 926 CB LYS A 59 8.558 -2.520 -6.339 1.00 0.00 C ATOM 927 CG LYS A 59 9.422 -1.400 -5.778 1.00 0.00 C ATOM 928 CD LYS A 59 10.731 -1.944 -5.230 1.00 0.00 C ATOM 929 CE LYS A 59 11.603 -0.841 -4.650 1.00 0.00 C ATOM 930 NZ LYS A 59 12.880 -1.382 -4.103 1.00 0.00 N ATOM 0 H LYS A 59 6.330 -1.941 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 59 7.462 -1.311 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.354 -3.239 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.120 -3.047 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.627 -0.668 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.881 -0.880 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.522 -2.685 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.273 -2.456 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.821 -0.104 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.059 -0.323 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.450 -0.603 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.672 -2.067 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.411 -1.854 -4.863 1.00 0.00 H new ATOM 944 N PHE A 60 6.561 -3.325 -8.885 1.00 0.00 N ATOM 945 CA PHE A 60 5.789 -4.394 -9.519 1.00 0.00 C ATOM 946 C PHE A 60 6.628 -5.315 -10.392 1.00 0.00 C ATOM 947 O PHE A 60 7.630 -4.921 -10.997 1.00 0.00 O ATOM 948 CB PHE A 60 4.721 -3.805 -10.430 1.00 0.00 C ATOM 949 CG PHE A 60 3.818 -2.836 -9.740 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.726 -3.244 -9.009 1.00 0.00 C ATOM 951 CD2 PHE A 60 4.095 -1.482 -9.824 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.907 -2.330 -8.387 1.00 0.00 C ATOM 953 CE2 PHE A 60 3.283 -0.570 -9.202 1.00 0.00 C ATOM 954 CZ PHE A 60 2.186 -0.987 -8.491 1.00 0.00 C ATOM 0 H PHE A 60 7.111 -2.734 -9.508 1.00 0.00 H new ATOM 0 HA PHE A 60 5.367 -4.966 -8.693 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.205 -3.304 -11.268 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.122 -4.615 -10.846 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.508 -4.298 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.955 -1.143 -10.382 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.051 -2.665 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.508 0.484 -9.272 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.543 -0.262 -8.014 1.00 0.00 H new ATOM 964 N SER A 61 6.180 -6.566 -10.472 1.00 0.00 N ATOM 965 CA SER A 61 6.855 -7.574 -11.276 1.00 0.00 C ATOM 966 C SER A 61 6.103 -7.826 -12.567 1.00 0.00 C ATOM 967 O SER A 61 5.057 -7.232 -12.827 1.00 0.00 O ATOM 968 CB SER A 61 6.948 -8.895 -10.548 1.00 0.00 C ATOM 969 OG SER A 61 5.711 -9.557 -10.535 1.00 0.00 O ATOM 0 H SER A 61 5.349 -6.904 -9.987 1.00 0.00 H new ATOM 0 HA SER A 61 7.854 -7.187 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.696 -9.526 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.284 -8.726 -9.525 1.00 0.00 H new ATOM 0 HG SER A 61 5.090 -9.078 -9.948 1.00 0.00 H new ATOM 975 N SER A 62 6.656 -8.736 -13.366 1.00 0.00 N ATOM 976 CA SER A 62 6.058 -9.172 -14.621 1.00 0.00 C ATOM 977 C SER A 62 4.891 -10.135 -14.396 1.00 0.00 C ATOM 978 O SER A 62 4.183 -10.467 -15.347 1.00 0.00 O ATOM 979 CB SER A 62 7.095 -9.843 -15.495 1.00 0.00 C ATOM 980 OG SER A 62 7.518 -11.056 -14.932 1.00 0.00 O ATOM 0 H SER A 62 7.542 -9.195 -13.156 1.00 0.00 H new ATOM 0 HA SER A 62 5.674 -8.281 -15.117 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.679 -10.024 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.951 -9.180 -15.625 1.00 0.00 H new ATOM 0 HG SER A 62 8.187 -11.472 -15.515 1.00 0.00 H new ATOM 986 N ARG A 63 4.704 -10.607 -13.160 1.00 0.00 N ATOM 987 CA ARG A 63 3.592 -11.491 -12.868 1.00 0.00 C ATOM 988 C ARG A 63 2.484 -10.720 -12.163 1.00 0.00 C ATOM 989 O ARG A 63 1.333 -11.135 -12.299 1.00 0.00 O ATOM 990 CB ARG A 63 4.004 -12.693 -12.034 1.00 0.00 C ATOM 991 CG ARG A 63 4.870 -13.736 -12.721 1.00 0.00 C ATOM 992 CD ARG A 63 4.924 -14.982 -11.908 1.00 0.00 C ATOM 993 NE ARG A 63 5.567 -14.784 -10.622 1.00 0.00 N ATOM 994 CZ ARG A 63 6.875 -14.931 -10.353 1.00 0.00 C ATOM 995 NH1 ARG A 63 7.733 -15.309 -11.275 1.00 0.00 N ATOM 996 NH2 ARG A 63 7.254 -14.676 -9.117 1.00 0.00 N ATOM 0 H ARG A 63 5.302 -10.391 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 63 3.227 -11.873 -13.821 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.539 -12.331 -11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.100 -13.184 -11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.469 -13.957 -13.710 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.877 -13.344 -12.865 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.911 -15.352 -11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.461 -15.751 -12.464 1.00 0.00 H new ATOM 0 HE ARG A 63 4.967 -14.506 -9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.411 -15.499 -12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.720 -15.412 -11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.566 -14.384 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.235 -14.771 -8.855 1.00 0.00 H new ATOM 1010 N TYR A 64 2.817 -9.629 -11.447 1.00 0.00 N ATOM 1011 CA TYR A 64 1.798 -8.784 -10.808 1.00 0.00 C ATOM 1012 C TYR A 64 0.712 -8.458 -11.820 1.00 0.00 C ATOM 1013 O TYR A 64 1.055 -7.964 -12.892 1.00 0.00 O ATOM 1014 CB TYR A 64 2.379 -7.444 -10.330 1.00 0.00 C ATOM 1015 CG TYR A 64 1.288 -6.543 -9.785 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.584 -5.742 -10.680 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.941 -6.526 -8.442 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.456 -4.942 -10.246 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.092 -5.716 -8.015 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.796 -4.928 -8.913 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.831 -4.147 -8.451 1.00 0.00 O ATOM 0 H TYR A 64 3.777 -9.316 -11.299 1.00 0.00 H new ATOM 0 HA TYR A 64 1.412 -9.338 -9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.128 -7.623 -9.558 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.886 -6.948 -11.157 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.854 -5.746 -11.726 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.476 -7.143 -7.735 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.000 -4.330 -10.951 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.355 -5.696 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.443 -3.945 -9.189 1.00 0.00 H new ATOM 1031 N PRO A 65 -0.585 -8.601 -11.508 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.270 -8.945 -10.263 1.00 0.00 C ATOM 1033 C PRO A 65 -1.107 -10.308 -9.598 1.00 0.00 C ATOM 1034 O PRO A 65 -1.598 -10.476 -8.488 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.729 -8.790 -10.711 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.723 -9.005 -12.194 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.441 -8.380 -12.672 1.00 0.00 C ATOM 0 HA PRO A 65 -0.850 -8.323 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.371 -9.517 -10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.113 -7.801 -10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.760 -10.066 -12.439 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.589 -8.539 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.054 -8.863 -13.569 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.558 -7.322 -12.905 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.486 -11.287 -10.238 1.00 0.00 N ATOM 1046 CA PHE A 66 -0.279 -12.581 -9.590 1.00 0.00 C ATOM 1047 C PHE A 66 0.588 -12.403 -8.344 1.00 0.00 C ATOM 1048 O PHE A 66 0.245 -12.877 -7.260 1.00 0.00 O ATOM 1049 CB PHE A 66 0.354 -13.584 -10.545 1.00 0.00 C ATOM 1050 CG PHE A 66 0.698 -14.900 -9.915 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -0.266 -15.876 -9.715 1.00 0.00 C ATOM 1052 CD2 PHE A 66 2.000 -15.158 -9.520 1.00 0.00 C ATOM 1053 CE1 PHE A 66 0.070 -17.084 -9.133 1.00 0.00 C ATOM 1054 CE2 PHE A 66 2.340 -16.361 -8.938 1.00 0.00 C ATOM 1055 CZ PHE A 66 1.372 -17.327 -8.744 1.00 0.00 C ATOM 0 H PHE A 66 -0.121 -11.218 -11.188 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.251 -12.977 -9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.330 -13.759 -11.376 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.260 -13.147 -10.965 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.287 -15.691 -10.016 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.760 -14.406 -9.670 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.687 -17.839 -8.982 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.360 -16.547 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.633 -18.271 -8.289 1.00 0.00 H new ATOM 1065 N ASP A 67 1.740 -11.764 -8.522 1.00 0.00 N ATOM 1066 CA ASP A 67 2.627 -11.427 -7.417 1.00 0.00 C ATOM 1067 C ASP A 67 2.074 -10.237 -6.652 1.00 0.00 C ATOM 1068 O ASP A 67 1.388 -9.406 -7.241 1.00 0.00 O ATOM 1069 CB ASP A 67 4.030 -11.061 -7.896 1.00 0.00 C ATOM 1070 CG ASP A 67 4.897 -12.192 -8.429 1.00 0.00 C ATOM 1071 OD1 ASP A 67 4.669 -13.352 -8.179 1.00 0.00 O ATOM 1072 OD2 ASP A 67 5.824 -11.863 -9.131 1.00 0.00 O ATOM 0 H ASP A 67 2.083 -11.466 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 67 2.688 -12.311 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.935 -10.310 -8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.559 -10.591 -7.067 1.00 0.00 H new ATOM 1077 N SER A 68 2.342 -10.160 -5.352 1.00 0.00 N ATOM 1078 CA SER A 68 1.921 -8.984 -4.601 1.00 0.00 C ATOM 1079 C SER A 68 2.905 -7.861 -4.914 1.00 0.00 C ATOM 1080 O SER A 68 4.043 -8.150 -5.287 1.00 0.00 O ATOM 1081 CB SER A 68 1.925 -9.262 -3.111 1.00 0.00 C ATOM 1082 OG SER A 68 3.235 -9.457 -2.650 1.00 0.00 O ATOM 0 H SER A 68 2.832 -10.873 -4.812 1.00 0.00 H new ATOM 0 HA SER A 68 0.906 -8.708 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.466 -8.429 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.323 -10.146 -2.899 1.00 0.00 H new ATOM 0 HG SER A 68 3.247 -9.417 -1.671 1.00 0.00 H new ATOM 1088 N PRO A 69 2.525 -6.591 -4.781 1.00 0.00 N ATOM 1089 CA PRO A 69 3.410 -5.472 -4.985 1.00 0.00 C ATOM 1090 C PRO A 69 4.277 -5.260 -3.752 1.00 0.00 C ATOM 1091 O PRO A 69 3.829 -5.517 -2.634 1.00 0.00 O ATOM 1092 CB PRO A 69 2.402 -4.347 -5.236 1.00 0.00 C ATOM 1093 CG PRO A 69 1.184 -4.753 -4.447 1.00 0.00 C ATOM 1094 CD PRO A 69 1.121 -6.271 -4.522 1.00 0.00 C ATOM 0 HA PRO A 69 4.133 -5.572 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.789 -3.384 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.173 -4.248 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.259 -4.416 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.282 -4.304 -4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.760 -6.716 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.464 -6.619 -5.319 1.00 0.00 H new ATOM 1102 N GLN A 70 5.505 -4.791 -3.931 1.00 0.00 N ATOM 1103 CA GLN A 70 6.323 -4.526 -2.750 1.00 0.00 C ATOM 1104 C GLN A 70 5.968 -3.121 -2.335 1.00 0.00 C ATOM 1105 O GLN A 70 6.156 -2.199 -3.124 1.00 0.00 O ATOM 1106 CB GLN A 70 7.822 -4.656 -2.994 1.00 0.00 C ATOM 1107 CG GLN A 70 8.656 -4.342 -1.763 1.00 0.00 C ATOM 1108 CD GLN A 70 8.473 -5.366 -0.659 1.00 0.00 C ATOM 1109 OE1 GLN A 70 8.694 -6.563 -0.864 1.00 0.00 O ATOM 1110 NE2 GLN A 70 8.072 -4.904 0.519 1.00 0.00 N ATOM 0 H GLN A 70 5.942 -4.594 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 70 6.114 -5.267 -1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.043 -5.670 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.112 -3.985 -3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.709 -4.299 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.385 -3.355 -1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.901 -3.906 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.935 -5.547 1.299 1.00 0.00 H new ATOM 1119 N VAL A 71 5.434 -2.926 -1.129 1.00 0.00 N ATOM 1120 CA VAL A 71 5.044 -1.557 -0.828 1.00 0.00 C ATOM 1121 C VAL A 71 5.697 -1.043 0.442 1.00 0.00 C ATOM 1122 O VAL A 71 5.623 -1.688 1.489 1.00 0.00 O ATOM 1123 CB VAL A 71 3.524 -1.443 -0.701 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.156 0.016 -0.464 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.897 -2.045 -1.936 1.00 0.00 C ATOM 0 H VAL A 71 5.273 -3.628 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 71 5.388 -0.942 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 71 3.138 -1.999 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.074 0.108 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.629 0.366 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.501 0.619 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.812 -1.973 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.239 -1.504 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.187 -3.093 -2.017 1.00 0.00 H new ATOM 1135 N MET A 72 6.352 0.110 0.332 1.00 0.00 N ATOM 1136 CA MET A 72 7.026 0.723 1.474 1.00 0.00 C ATOM 1137 C MET A 72 6.781 2.227 1.597 1.00 0.00 C ATOM 1138 O MET A 72 6.461 2.907 0.626 1.00 0.00 O ATOM 1139 CB MET A 72 8.531 0.452 1.393 1.00 0.00 C ATOM 1140 CG MET A 72 8.919 -1.023 1.460 1.00 0.00 C ATOM 1141 SD MET A 72 10.701 -1.306 1.406 1.00 0.00 S ATOM 1142 CE MET A 72 11.214 -0.792 3.042 1.00 0.00 C ATOM 0 H MET A 72 6.431 0.639 -0.537 1.00 0.00 H new ATOM 0 HA MET A 72 6.599 0.265 2.366 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.912 0.872 0.462 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.026 0.981 2.207 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.519 -1.454 2.378 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.451 -1.551 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.280 -0.982 3.165 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.018 0.273 3.167 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.656 -1.354 3.791 1.00 0.00 H new ATOM 1152 N PHE A 73 6.907 2.761 2.807 1.00 0.00 N ATOM 1153 CA PHE A 73 6.759 4.200 2.973 1.00 0.00 C ATOM 1154 C PHE A 73 8.067 4.882 2.606 1.00 0.00 C ATOM 1155 O PHE A 73 9.147 4.390 2.939 1.00 0.00 O ATOM 1156 CB PHE A 73 6.378 4.649 4.393 1.00 0.00 C ATOM 1157 CG PHE A 73 4.969 4.381 4.840 1.00 0.00 C ATOM 1158 CD1 PHE A 73 3.922 5.204 4.445 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.681 3.308 5.662 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.629 4.950 4.864 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.385 3.062 6.079 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.358 3.880 5.683 1.00 0.00 C ATOM 0 H PHE A 73 7.105 2.239 3.661 1.00 0.00 H new ATOM 0 HA PHE A 73 5.936 4.485 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.054 4.161 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.559 5.721 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.120 6.051 3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.478 2.653 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.826 5.598 4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.180 2.219 6.722 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.348 3.686 6.011 1.00 0.00 H new ATOM 1172 N THR A 74 7.960 6.013 1.916 1.00 0.00 N ATOM 1173 CA THR A 74 9.121 6.804 1.520 1.00 0.00 C ATOM 1174 C THR A 74 8.903 8.253 1.927 1.00 0.00 C ATOM 1175 O THR A 74 7.843 8.607 2.443 1.00 0.00 O ATOM 1176 CB THR A 74 9.417 6.724 0.004 1.00 0.00 C ATOM 1177 OG1 THR A 74 8.370 7.342 -0.755 1.00 0.00 O ATOM 1178 CG2 THR A 74 9.545 5.271 -0.426 1.00 0.00 C ATOM 0 H THR A 74 7.068 6.407 1.616 1.00 0.00 H new ATOM 0 HA THR A 74 9.988 6.387 2.032 1.00 0.00 H new ATOM 0 HB THR A 74 10.352 7.252 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.470 8.316 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.753 5.225 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.360 4.799 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.614 4.746 -0.215 1.00 0.00 H new ATOM 1186 N GLY A 75 9.917 9.081 1.707 1.00 0.00 N ATOM 1187 CA GLY A 75 9.844 10.489 2.075 1.00 0.00 C ATOM 1188 C GLY A 75 10.849 10.815 3.173 1.00 0.00 C ATOM 1189 O GLY A 75 11.705 9.997 3.508 1.00 0.00 O ATOM 0 H GLY A 75 10.798 8.802 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.041 11.109 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.837 10.729 2.415 1.00 0.00 H new ATOM 1193 N GLU A 76 10.733 12.018 3.730 1.00 0.00 N ATOM 1194 CA GLU A 76 11.627 12.499 4.781 1.00 0.00 C ATOM 1195 C GLU A 76 11.091 12.289 6.198 1.00 0.00 C ATOM 1196 O GLU A 76 11.690 12.764 7.163 1.00 0.00 O ATOM 1197 CB GLU A 76 11.910 13.988 4.576 1.00 0.00 C ATOM 1198 CG GLU A 76 12.663 14.316 3.294 1.00 0.00 C ATOM 1199 CD GLU A 76 12.911 15.789 3.123 1.00 0.00 C ATOM 1200 OE1 GLU A 76 12.458 16.548 3.947 1.00 0.00 O ATOM 1201 OE2 GLU A 76 13.557 16.156 2.170 1.00 0.00 O ATOM 0 H GLU A 76 10.013 12.690 3.464 1.00 0.00 H new ATOM 0 HA GLU A 76 12.537 11.905 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.963 14.528 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.486 14.356 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.617 13.789 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.095 13.947 2.440 1.00 0.00 H new ATOM 1208 N ASN A 77 9.969 11.590 6.326 1.00 0.00 N ATOM 1209 CA ASN A 77 9.367 11.335 7.625 1.00 0.00 C ATOM 1210 C ASN A 77 8.578 10.037 7.568 1.00 0.00 C ATOM 1211 O ASN A 77 7.431 10.011 7.120 1.00 0.00 O ATOM 1212 CB ASN A 77 8.490 12.498 8.047 1.00 0.00 C ATOM 1213 CG ASN A 77 7.943 12.348 9.439 1.00 0.00 C ATOM 1214 OD1 ASN A 77 8.117 11.307 10.084 1.00 0.00 O ATOM 1215 ND2 ASN A 77 7.280 13.371 9.917 1.00 0.00 N ATOM 0 H ASN A 77 9.457 11.189 5.540 1.00 0.00 H new ATOM 0 HA ASN A 77 10.152 11.234 8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.067 13.421 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.661 12.594 7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.884 13.328 10.856 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.160 14.211 9.351 1.00 0.00 H new ATOM 1222 N ILE A 78 9.206 8.961 8.028 1.00 0.00 N ATOM 1223 CA ILE A 78 8.584 7.648 8.012 1.00 0.00 C ATOM 1224 C ILE A 78 7.849 7.400 9.330 1.00 0.00 C ATOM 1225 O ILE A 78 8.462 7.543 10.389 1.00 0.00 O ATOM 1226 CB ILE A 78 9.629 6.543 7.794 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.408 6.826 6.510 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.948 5.187 7.711 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.529 6.906 5.290 1.00 0.00 C ATOM 0 H ILE A 78 10.149 8.975 8.417 1.00 0.00 H new ATOM 0 HA ILE A 78 7.874 7.623 7.185 1.00 0.00 H new ATOM 0 HB ILE A 78 10.321 6.529 8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.951 7.765 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.152 6.043 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.699 4.412 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.411 4.992 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.245 5.183 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.143 7.109 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.006 5.959 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.802 7.708 5.418 1.00 0.00 H new ATOM 1241 N PRO A 79 6.557 7.054 9.309 1.00 0.00 N ATOM 1242 CA PRO A 79 5.781 6.796 10.501 1.00 0.00 C ATOM 1243 C PRO A 79 6.175 5.488 11.173 1.00 0.00 C ATOM 1244 O PRO A 79 6.713 4.595 10.524 1.00 0.00 O ATOM 1245 CB PRO A 79 4.363 6.756 9.916 1.00 0.00 C ATOM 1246 CG PRO A 79 4.541 6.328 8.483 1.00 0.00 C ATOM 1247 CD PRO A 79 5.842 6.945 8.028 1.00 0.00 C ATOM 0 HA PRO A 79 5.915 7.530 11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.731 6.055 10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.883 7.733 9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.574 5.242 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.709 6.670 7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.370 6.315 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.696 7.915 7.552 1.00 0.00 H new ATOM 1255 N VAL A 80 5.938 5.387 12.478 1.00 0.00 N ATOM 1256 CA VAL A 80 6.245 4.155 13.199 1.00 0.00 C ATOM 1257 C VAL A 80 5.002 3.638 13.911 1.00 0.00 C ATOM 1258 O VAL A 80 4.402 4.334 14.732 1.00 0.00 O ATOM 1259 CB VAL A 80 7.390 4.355 14.207 1.00 0.00 C ATOM 1260 CG1 VAL A 80 7.634 3.052 14.952 1.00 0.00 C ATOM 1261 CG2 VAL A 80 8.655 4.779 13.471 1.00 0.00 C ATOM 0 H VAL A 80 5.540 6.131 13.051 1.00 0.00 H new ATOM 0 HA VAL A 80 6.573 3.417 12.467 1.00 0.00 H new ATOM 0 HB VAL A 80 7.119 5.134 14.920 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.445 3.188 15.668 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.727 2.761 15.482 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.905 2.272 14.241 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.464 4.920 14.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.936 4.007 12.755 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.472 5.715 12.942 1.00 0.00 H new ATOM 1271 N HIS A 81 4.642 2.405 13.585 1.00 0.00 N ATOM 1272 CA HIS A 81 3.459 1.726 14.099 1.00 0.00 C ATOM 1273 C HIS A 81 3.817 0.269 14.364 1.00 0.00 C ATOM 1274 O HIS A 81 4.873 -0.167 13.920 1.00 0.00 O ATOM 1275 CB HIS A 81 2.323 1.837 13.071 1.00 0.00 C ATOM 1276 CG HIS A 81 1.873 3.237 12.800 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.976 3.894 13.615 1.00 0.00 N ATOM 1278 CD2 HIS A 81 2.196 4.110 11.818 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.763 5.110 13.143 1.00 0.00 C ATOM 1280 NE2 HIS A 81 1.493 5.267 12.055 1.00 0.00 N ATOM 0 H HIS A 81 5.181 1.831 12.936 1.00 0.00 H new ATOM 0 HA HIS A 81 3.122 2.185 15.029 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.651 1.385 12.135 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.471 1.256 13.424 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.879 3.931 11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.104 5.849 13.574 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.530 6.110 11.483 1.00 0.00 H new ATOM 1288 N PRO A 82 3.000 -0.539 15.038 1.00 0.00 N ATOM 1289 CA PRO A 82 3.272 -1.956 15.214 1.00 0.00 C ATOM 1290 C PRO A 82 3.589 -2.708 13.910 1.00 0.00 C ATOM 1291 O PRO A 82 4.347 -3.677 13.923 1.00 0.00 O ATOM 1292 CB PRO A 82 1.966 -2.398 15.873 1.00 0.00 C ATOM 1293 CG PRO A 82 1.514 -1.182 16.646 1.00 0.00 C ATOM 1294 CD PRO A 82 1.897 0.027 15.821 1.00 0.00 C ATOM 0 HA PRO A 82 4.171 -2.168 15.792 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.226 -2.696 15.131 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.121 -3.254 16.530 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.438 -1.209 16.815 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.990 -1.148 17.626 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.078 0.380 15.194 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.212 0.869 16.437 1.00 0.00 H new ATOM 1302 N HIS A 83 2.998 -2.266 12.796 1.00 0.00 N ATOM 1303 CA HIS A 83 3.242 -2.837 11.478 1.00 0.00 C ATOM 1304 C HIS A 83 3.995 -1.896 10.537 1.00 0.00 C ATOM 1305 O HIS A 83 4.119 -2.165 9.342 1.00 0.00 O ATOM 1306 CB HIS A 83 1.902 -3.235 10.869 1.00 0.00 C ATOM 1307 CG HIS A 83 1.285 -4.308 11.697 1.00 0.00 C ATOM 1308 ND1 HIS A 83 1.732 -5.610 11.678 1.00 0.00 N ATOM 1309 CD2 HIS A 83 0.283 -4.266 12.599 1.00 0.00 C ATOM 1310 CE1 HIS A 83 1.024 -6.327 12.532 1.00 0.00 C ATOM 1311 NE2 HIS A 83 0.141 -5.533 13.106 1.00 0.00 N ATOM 0 H HIS A 83 2.331 -1.494 12.789 1.00 0.00 H new ATOM 0 HA HIS A 83 3.887 -3.706 11.606 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.240 -2.370 10.821 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.044 -3.585 9.846 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.491 -5.965 11.096 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.299 -3.398 12.871 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.147 -7.382 12.727 1.00 0.00 H new ATOM 1319 N VAL A 84 4.523 -0.786 11.046 1.00 0.00 N ATOM 1320 CA VAL A 84 5.229 0.135 10.169 1.00 0.00 C ATOM 1321 C VAL A 84 6.587 0.454 10.758 1.00 0.00 C ATOM 1322 O VAL A 84 6.710 1.001 11.853 1.00 0.00 O ATOM 1323 CB VAL A 84 4.467 1.439 9.932 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.309 2.300 9.017 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.111 1.160 9.315 1.00 0.00 C ATOM 0 H VAL A 84 4.478 -0.511 12.027 1.00 0.00 H new ATOM 0 HA VAL A 84 5.329 -0.361 9.204 1.00 0.00 H new ATOM 0 HB VAL A 84 4.290 1.954 10.876 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.793 3.241 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.270 2.502 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.471 1.778 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.584 2.100 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.243 0.650 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.529 0.528 9.986 1.00 0.00 H new ATOM 1335 N TYR A 85 7.616 0.172 9.984 1.00 0.00 N ATOM 1336 CA TYR A 85 8.967 0.348 10.464 1.00 0.00 C ATOM 1337 C TYR A 85 9.560 1.647 9.963 1.00 0.00 C ATOM 1338 O TYR A 85 9.137 2.166 8.931 1.00 0.00 O ATOM 1339 CB TYR A 85 9.766 -0.865 10.028 1.00 0.00 C ATOM 1340 CG TYR A 85 9.180 -2.103 10.677 1.00 0.00 C ATOM 1341 CD1 TYR A 85 8.166 -2.801 10.033 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.631 -2.534 11.914 1.00 0.00 C ATOM 1343 CE1 TYR A 85 7.604 -3.921 10.608 1.00 0.00 C ATOM 1344 CE2 TYR A 85 9.070 -3.656 12.494 1.00 0.00 C ATOM 1345 CZ TYR A 85 8.063 -4.347 11.848 1.00 0.00 C ATOM 1346 OH TYR A 85 7.514 -5.463 12.436 1.00 0.00 O ATOM 0 H TYR A 85 7.542 -0.177 9.028 1.00 0.00 H new ATOM 0 HA TYR A 85 8.986 0.420 11.551 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.741 -0.962 8.943 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.811 -0.749 10.314 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.814 -2.462 9.070 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.417 -1.996 12.423 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.817 -4.460 10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.421 -3.995 13.458 1.00 0.00 H new ATOM 0 HH TYR A 85 7.948 -5.625 13.299 1.00 0.00 H new ATOM 1356 N SER A 86 10.549 2.159 10.697 1.00 0.00 N ATOM 1357 CA SER A 86 11.212 3.428 10.397 1.00 0.00 C ATOM 1358 C SER A 86 11.991 3.426 9.083 1.00 0.00 C ATOM 1359 O SER A 86 12.351 4.488 8.574 1.00 0.00 O ATOM 1360 CB SER A 86 12.161 3.784 11.522 1.00 0.00 C ATOM 1361 OG SER A 86 13.232 2.881 11.574 1.00 0.00 O ATOM 0 H SER A 86 10.917 1.697 11.528 1.00 0.00 H new ATOM 0 HA SER A 86 10.416 4.166 10.295 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.539 4.796 11.378 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.626 3.776 12.472 1.00 0.00 H new ATOM 0 HG SER A 86 13.834 3.130 12.306 1.00 0.00 H new ATOM 1367 N ASN A 87 12.270 2.243 8.540 1.00 0.00 N ATOM 1368 CA ASN A 87 12.912 2.129 7.242 1.00 0.00 C ATOM 1369 C ASN A 87 11.894 2.054 6.102 1.00 0.00 C ATOM 1370 O ASN A 87 12.277 1.842 4.951 1.00 0.00 O ATOM 1371 CB ASN A 87 13.814 0.913 7.225 1.00 0.00 C ATOM 1372 CG ASN A 87 13.056 -0.380 7.353 1.00 0.00 C ATOM 1373 OD1 ASN A 87 11.819 -0.423 7.354 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.794 -1.455 7.468 1.00 0.00 N ATOM 0 H ASN A 87 12.059 1.350 8.984 1.00 0.00 H new ATOM 0 HA ASN A 87 13.507 3.028 7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.385 0.903 6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.533 0.989 8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.352 -2.369 7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.811 -1.378 7.463 1.00 0.00 H new ATOM 1381 N GLY A 88 10.606 2.228 6.411 1.00 0.00 N ATOM 1382 CA GLY A 88 9.541 2.212 5.424 1.00 0.00 C ATOM 1383 C GLY A 88 8.811 0.878 5.310 1.00 0.00 C ATOM 1384 O GLY A 88 7.797 0.799 4.620 1.00 0.00 O ATOM 0 H GLY A 88 10.278 2.385 7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.818 2.988 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.960 2.468 4.451 1.00 0.00 H new ATOM 1388 N HIS A 89 9.281 -0.177 5.969 1.00 0.00 N ATOM 1389 CA HIS A 89 8.606 -1.460 5.798 1.00 0.00 C ATOM 1390 C HIS A 89 7.168 -1.492 6.307 1.00 0.00 C ATOM 1391 O HIS A 89 6.836 -1.008 7.389 1.00 0.00 O ATOM 1392 CB HIS A 89 9.418 -2.571 6.467 1.00 0.00 C ATOM 1393 CG HIS A 89 8.872 -3.941 6.229 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.787 -4.439 6.919 1.00 0.00 N ATOM 1395 CD2 HIS A 89 9.255 -4.917 5.374 1.00 0.00 C ATOM 1396 CE1 HIS A 89 7.528 -5.666 6.500 1.00 0.00 C ATOM 1397 NE2 HIS A 89 8.405 -5.978 5.563 1.00 0.00 N ATOM 0 H HIS A 89 10.085 -0.176 6.596 1.00 0.00 H new ATOM 0 HA HIS A 89 8.545 -1.620 4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.444 -2.530 6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.455 -2.386 7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.076 -4.870 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.735 -6.304 6.862 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.444 -6.865 5.061 1.00 0.00 H new ATOM 1405 N ILE A 90 6.300 -2.079 5.483 1.00 0.00 N ATOM 1406 CA ILE A 90 4.881 -2.216 5.787 1.00 0.00 C ATOM 1407 C ILE A 90 4.430 -3.661 5.956 1.00 0.00 C ATOM 1408 O ILE A 90 4.291 -4.401 4.980 1.00 0.00 O ATOM 1409 CB ILE A 90 4.038 -1.570 4.668 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.389 -0.089 4.565 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.557 -1.788 4.892 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.734 0.601 3.400 1.00 0.00 C ATOM 0 H ILE A 90 6.566 -2.474 4.581 1.00 0.00 H new ATOM 0 HA ILE A 90 4.729 -1.711 6.741 1.00 0.00 H new ATOM 0 HB ILE A 90 4.276 -2.051 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.094 0.412 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.471 0.015 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.994 -1.319 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.345 -2.857 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.264 -1.345 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.027 1.651 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.049 0.125 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.651 0.528 3.496 1.00 0.00 H new ATOM 1424 N CYS A 91 4.131 -4.061 7.192 1.00 0.00 N ATOM 1425 CA CYS A 91 3.700 -5.424 7.493 1.00 0.00 C ATOM 1426 C CYS A 91 2.200 -5.616 7.272 1.00 0.00 C ATOM 1427 O CYS A 91 1.435 -5.828 8.214 1.00 0.00 O ATOM 1428 CB CYS A 91 4.076 -5.795 8.926 1.00 0.00 C ATOM 1429 SG CYS A 91 3.639 -7.490 9.384 1.00 0.00 S ATOM 0 H CYS A 91 4.181 -3.452 8.009 1.00 0.00 H new ATOM 0 HA CYS A 91 4.218 -6.088 6.801 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.150 -5.659 9.056 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.582 -5.105 9.611 1.00 0.00 H new ATOM 0 HG CYS A 91 2.397 -7.716 9.076 1.00 0.00 H new ATOM 1435 N LEU A 92 1.800 -5.533 6.009 1.00 0.00 N ATOM 1436 CA LEU A 92 0.418 -5.682 5.577 1.00 0.00 C ATOM 1437 C LEU A 92 0.193 -7.097 5.069 1.00 0.00 C ATOM 1438 O LEU A 92 0.883 -7.532 4.146 1.00 0.00 O ATOM 1439 CB LEU A 92 0.105 -4.652 4.491 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.290 -4.724 3.885 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -2.331 -4.401 4.945 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.379 -3.727 2.748 1.00 0.00 C ATOM 0 H LEU A 92 2.445 -5.356 5.239 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.253 -5.508 6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.246 -3.656 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.834 -4.766 3.689 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.479 -5.729 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.327 -4.454 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.256 -5.121 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.158 -3.396 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.374 -3.768 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.193 -2.723 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.634 -3.971 1.991 1.00 0.00 H new ATOM 1454 N SER A 93 -0.783 -7.804 5.649 1.00 0.00 N ATOM 1455 CA SER A 93 -0.992 -9.204 5.289 1.00 0.00 C ATOM 1456 C SER A 93 -1.377 -9.452 3.851 1.00 0.00 C ATOM 1457 O SER A 93 -1.015 -10.495 3.307 1.00 0.00 O ATOM 1458 CB SER A 93 -2.119 -9.849 6.059 1.00 0.00 C ATOM 1459 OG SER A 93 -3.345 -9.308 5.646 1.00 0.00 O ATOM 0 H SER A 93 -1.425 -7.438 6.352 1.00 0.00 H new ATOM 0 HA SER A 93 -0.011 -9.623 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.113 -10.927 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.981 -9.687 7.128 1.00 0.00 H new ATOM 0 HG SER A 93 -3.996 -10.030 5.523 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.035 -8.500 3.181 1.00 0.00 N ATOM 1466 CA ILE A 94 -2.387 -8.767 1.793 1.00 0.00 C ATOM 1467 C ILE A 94 -1.203 -8.644 0.861 1.00 0.00 C ATOM 1468 O ILE A 94 -1.373 -8.801 -0.337 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.483 -7.856 1.208 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -3.002 -6.420 1.131 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -4.741 -7.912 2.056 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -3.919 -5.528 0.337 1.00 0.00 C ATOM 0 H ILE A 94 -2.318 -7.593 3.552 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.761 -9.789 1.845 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.709 -8.216 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.904 -6.022 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.009 -6.400 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.501 -7.261 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.115 -8.936 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.512 -7.580 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.517 -4.515 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.998 -5.903 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.907 -5.519 0.798 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.010 -8.336 1.355 1.00 0.00 N ATOM 1485 CA LEU A 95 1.134 -8.316 0.475 1.00 0.00 C ATOM 1486 C LEU A 95 1.903 -9.627 0.663 1.00 0.00 C ATOM 1487 O LEU A 95 2.892 -9.888 -0.029 1.00 0.00 O ATOM 1488 CB LEU A 95 1.991 -7.088 0.779 1.00 0.00 C ATOM 1489 CG LEU A 95 1.237 -5.763 0.602 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.150 -4.599 0.963 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.733 -5.661 -0.827 1.00 0.00 C ATOM 0 H LEU A 95 0.181 -8.105 2.330 1.00 0.00 H new ATOM 0 HA LEU A 95 0.831 -8.242 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.359 -7.155 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.864 -7.092 0.126 1.00 0.00 H new ATOM 0 HG LEU A 95 0.376 -5.727 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.611 -3.660 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.470 -4.696 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.024 -4.606 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.197 -4.721 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.578 -5.695 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.062 -6.494 -1.036 1.00 0.00 H new ATOM 1503 N THR A 96 1.414 -10.487 1.565 1.00 0.00 N ATOM 1504 CA THR A 96 2.055 -11.752 1.880 1.00 0.00 C ATOM 1505 C THR A 96 1.065 -12.908 1.841 1.00 0.00 C ATOM 1506 O THR A 96 1.036 -13.691 0.891 1.00 0.00 O ATOM 1507 CB THR A 96 2.673 -11.756 3.293 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.651 -11.464 4.255 1.00 0.00 O ATOM 1509 CG2 THR A 96 3.771 -10.711 3.415 1.00 0.00 C ATOM 0 H THR A 96 0.559 -10.316 2.094 1.00 0.00 H new ATOM 0 HA THR A 96 2.830 -11.874 1.124 1.00 0.00 H new ATOM 0 HB THR A 96 3.104 -12.740 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.039 -11.467 5.155 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.188 -10.737 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.558 -10.923 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.356 -9.722 3.220 1.00 0.00 H new ATOM 1517 N GLU A 97 0.258 -12.998 2.897 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.665 -14.116 3.084 1.00 0.00 C ATOM 1519 C GLU A 97 -2.076 -13.961 2.518 1.00 0.00 C ATOM 1520 O GLU A 97 -2.687 -14.951 2.114 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.788 -14.401 4.581 1.00 0.00 C ATOM 1522 CG GLU A 97 0.494 -14.912 5.225 1.00 0.00 C ATOM 1523 CD GLU A 97 0.360 -15.173 6.700 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -0.669 -14.865 7.253 1.00 0.00 O ATOM 1525 OE2 GLU A 97 1.289 -15.688 7.276 1.00 0.00 O ATOM 0 H GLU A 97 0.225 -12.303 3.643 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.220 -14.928 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.098 -13.488 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.578 -15.136 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.800 -15.832 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.288 -14.183 5.063 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.593 -12.738 2.486 1.00 0.00 N ATOM 1533 CA ASP A 98 -3.945 -12.476 2.012 1.00 0.00 C ATOM 1534 C ASP A 98 -4.006 -11.906 0.587 1.00 0.00 C ATOM 1535 O ASP A 98 -5.059 -11.428 0.164 1.00 0.00 O ATOM 1536 CB ASP A 98 -4.657 -11.542 3.004 1.00 0.00 C ATOM 1537 CG ASP A 98 -4.919 -12.171 4.373 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.202 -13.346 4.405 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -4.839 -11.487 5.371 1.00 0.00 O ATOM 0 H ASP A 98 -2.089 -11.904 2.787 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.457 -13.437 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.054 -10.644 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.607 -11.227 2.573 1.00 0.00 H new ATOM 1544 N TRP A 99 -2.888 -11.935 -0.146 1.00 0.00 N ATOM 1545 CA TRP A 99 -2.871 -11.412 -1.509 1.00 0.00 C ATOM 1546 C TRP A 99 -3.713 -12.220 -2.480 1.00 0.00 C ATOM 1547 O TRP A 99 -3.749 -13.450 -2.447 1.00 0.00 O ATOM 1548 CB TRP A 99 -1.457 -11.332 -2.105 1.00 0.00 C ATOM 1549 CG TRP A 99 -1.473 -10.783 -3.514 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -1.224 -11.516 -4.637 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -1.787 -9.440 -3.987 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -1.351 -10.733 -5.752 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.694 -9.465 -5.378 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.142 -8.236 -3.364 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.939 -8.345 -6.156 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.386 -7.116 -4.142 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.290 -7.168 -5.505 1.00 0.00 C ATOM 0 H TRP A 99 -1.997 -12.310 0.179 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.293 -10.413 -1.397 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -0.832 -10.699 -1.475 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.006 -12.324 -2.106 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -0.964 -12.564 -4.645 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.211 -11.047 -6.712 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.225 -8.182 -2.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.860 -8.385 -7.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.657 -6.186 -3.664 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.490 -6.280 -6.086 1.00 0.00 H new ATOM 1568 N SER A 100 -4.377 -11.478 -3.351 1.00 0.00 N ATOM 1569 CA SER A 100 -5.218 -11.976 -4.416 1.00 0.00 C ATOM 1570 C SER A 100 -5.030 -11.071 -5.620 1.00 0.00 C ATOM 1571 O SER A 100 -4.988 -9.856 -5.444 1.00 0.00 O ATOM 1572 CB SER A 100 -6.680 -11.975 -4.010 1.00 0.00 C ATOM 1573 OG SER A 100 -7.505 -12.344 -5.084 1.00 0.00 O ATOM 0 H SER A 100 -4.339 -10.459 -3.329 1.00 0.00 H new ATOM 0 HA SER A 100 -4.937 -13.004 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.830 -12.664 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.961 -10.983 -3.656 1.00 0.00 H new ATOM 0 HG SER A 100 -8.441 -12.337 -4.795 1.00 0.00 H new ATOM 1579 N PRO A 101 -4.949 -11.608 -6.844 1.00 0.00 N ATOM 1580 CA PRO A 101 -4.789 -10.853 -8.072 1.00 0.00 C ATOM 1581 C PRO A 101 -5.996 -9.989 -8.411 1.00 0.00 C ATOM 1582 O PRO A 101 -5.929 -9.151 -9.311 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.568 -11.983 -9.088 1.00 0.00 C ATOM 1584 CG PRO A 101 -5.222 -13.190 -8.479 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.993 -13.067 -6.990 1.00 0.00 C ATOM 0 HA PRO A 101 -3.982 -10.121 -8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.013 -11.738 -10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.506 -12.155 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.287 -13.218 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.786 -14.110 -8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.797 -13.517 -6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.065 -13.543 -6.673 1.00 0.00 H new ATOM 1593 N ALA A 102 -7.108 -10.199 -7.702 1.00 0.00 N ATOM 1594 CA ALA A 102 -8.294 -9.377 -7.843 1.00 0.00 C ATOM 1595 C ALA A 102 -8.094 -8.033 -7.133 1.00 0.00 C ATOM 1596 O ALA A 102 -8.869 -7.101 -7.355 1.00 0.00 O ATOM 1597 CB ALA A 102 -9.502 -10.104 -7.278 1.00 0.00 C ATOM 0 H ALA A 102 -7.203 -10.947 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.468 -9.185 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.388 -9.478 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.649 -11.040 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.338 -10.317 -6.222 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.070 -7.929 -6.278 1.00 0.00 N ATOM 1604 CA LEU A 103 -6.774 -6.700 -5.564 1.00 0.00 C ATOM 1605 C LEU A 103 -5.950 -5.775 -6.445 1.00 0.00 C ATOM 1606 O LEU A 103 -5.099 -6.224 -7.215 1.00 0.00 O ATOM 1607 CB LEU A 103 -5.997 -7.011 -4.280 1.00 0.00 C ATOM 1608 CG LEU A 103 -6.702 -7.889 -3.242 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -5.736 -8.192 -2.102 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -7.935 -7.162 -2.732 1.00 0.00 C ATOM 0 H LEU A 103 -6.431 -8.696 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.713 -6.210 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.062 -7.498 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.735 -6.066 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.014 -8.832 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.233 -8.817 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.865 -8.717 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.419 -7.259 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.442 -7.781 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.638 -6.219 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.611 -6.964 -3.564 1.00 0.00 H new ATOM 1622 N SER A 104 -6.218 -4.481 -6.321 1.00 0.00 N ATOM 1623 CA SER A 104 -5.537 -3.430 -7.064 1.00 0.00 C ATOM 1624 C SER A 104 -4.535 -2.630 -6.238 1.00 0.00 C ATOM 1625 O SER A 104 -4.378 -2.867 -5.041 1.00 0.00 O ATOM 1626 CB SER A 104 -6.591 -2.494 -7.608 1.00 0.00 C ATOM 1627 OG SER A 104 -7.217 -1.786 -6.570 1.00 0.00 O ATOM 0 H SER A 104 -6.932 -4.126 -5.685 1.00 0.00 H new ATOM 0 HA SER A 104 -4.958 -3.911 -7.852 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.135 -1.794 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.335 -3.063 -8.166 1.00 0.00 H new ATOM 0 HG SER A 104 -8.079 -1.440 -6.883 1.00 0.00 H new ATOM 1633 N VAL A 105 -3.864 -1.682 -6.892 1.00 0.00 N ATOM 1634 CA VAL A 105 -2.930 -0.769 -6.235 1.00 0.00 C ATOM 1635 C VAL A 105 -3.702 0.054 -5.224 1.00 0.00 C ATOM 1636 O VAL A 105 -3.252 0.228 -4.093 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.229 0.129 -7.267 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -1.417 1.229 -6.598 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.324 -0.765 -8.081 1.00 0.00 C ATOM 0 H VAL A 105 -3.954 -1.525 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.151 -1.335 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.970 0.626 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.937 1.842 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.077 1.852 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.655 0.782 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.803 -0.169 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.596 -1.240 -7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.920 -1.531 -8.577 1.00 0.00 H new ATOM 1649 N GLN A 106 -4.859 0.537 -5.672 1.00 0.00 N ATOM 1650 CA GLN A 106 -5.831 1.265 -4.876 1.00 0.00 C ATOM 1651 C GLN A 106 -6.227 0.478 -3.643 1.00 0.00 C ATOM 1652 O GLN A 106 -6.242 1.030 -2.540 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.074 1.559 -5.713 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.200 2.238 -4.962 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.384 2.515 -5.869 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -9.227 2.712 -7.078 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.580 2.529 -5.292 1.00 0.00 N ATOM 0 H GLN A 106 -5.152 0.424 -6.642 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.372 2.201 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.787 2.188 -6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.446 0.622 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.516 1.608 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.841 3.174 -4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.665 2.361 -4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.414 2.707 -5.851 1.00 0.00 H new ATOM 1666 N SER A 107 -6.563 -0.799 -3.859 1.00 0.00 N ATOM 1667 CA SER A 107 -6.971 -1.715 -2.800 1.00 0.00 C ATOM 1668 C SER A 107 -5.907 -1.753 -1.716 1.00 0.00 C ATOM 1669 O SER A 107 -6.240 -1.715 -0.530 1.00 0.00 O ATOM 1670 CB SER A 107 -7.127 -3.135 -3.312 1.00 0.00 C ATOM 1671 OG SER A 107 -8.106 -3.252 -4.310 1.00 0.00 O ATOM 0 H SER A 107 -6.558 -1.225 -4.786 1.00 0.00 H new ATOM 0 HA SER A 107 -7.926 -1.353 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.171 -3.481 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.384 -3.790 -2.479 1.00 0.00 H new ATOM 0 HG SER A 107 -7.888 -2.652 -5.054 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.642 -1.843 -2.140 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.514 -1.870 -1.222 1.00 0.00 C ATOM 1679 C VAL A 108 -3.323 -0.560 -0.485 1.00 0.00 C ATOM 1680 O VAL A 108 -3.073 -0.602 0.715 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.199 -2.204 -1.936 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.061 -2.037 -0.945 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.215 -3.621 -2.477 1.00 0.00 C ATOM 0 H VAL A 108 -4.379 -1.899 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.759 -2.653 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.067 -1.530 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.115 -2.270 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.039 -1.008 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.210 -2.712 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.270 -3.830 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.352 -4.323 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.034 -3.730 -3.188 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.424 0.583 -1.168 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.256 1.866 -0.485 1.00 0.00 C ATOM 1695 C CYS A 109 -4.282 2.030 0.626 1.00 0.00 C ATOM 1696 O CYS A 109 -3.948 2.475 1.727 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.440 3.051 -1.433 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.176 3.328 -2.681 1.00 0.00 S ATOM 0 H CYS A 109 -3.616 0.647 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.241 1.859 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.394 2.926 -1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.518 3.955 -0.829 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.173 2.529 -2.468 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.526 1.676 0.313 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.619 1.745 1.262 1.00 0.00 C ATOM 1706 C LEU A 110 -6.402 0.750 2.392 1.00 0.00 C ATOM 1707 O LEU A 110 -6.691 1.074 3.544 1.00 0.00 O ATOM 1708 CB LEU A 110 -7.952 1.492 0.565 1.00 0.00 C ATOM 1709 CG LEU A 110 -9.166 1.602 1.489 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.193 3.002 2.093 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -10.430 1.329 0.686 1.00 0.00 C ATOM 0 H LEU A 110 -5.798 1.334 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.646 2.748 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.064 2.204 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.935 0.497 0.120 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.106 0.871 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.054 3.096 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.278 3.171 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.266 3.741 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.299 1.406 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.515 2.059 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.382 0.326 0.262 1.00 0.00 H new ATOM 1723 N SER A 111 -5.952 -0.464 2.056 1.00 0.00 N ATOM 1724 CA SER A 111 -5.645 -1.495 3.038 1.00 0.00 C ATOM 1725 C SER A 111 -4.578 -1.012 4.013 1.00 0.00 C ATOM 1726 O SER A 111 -4.668 -1.335 5.195 1.00 0.00 O ATOM 1727 CB SER A 111 -5.192 -2.763 2.349 1.00 0.00 C ATOM 1728 OG SER A 111 -6.235 -3.311 1.589 1.00 0.00 O ATOM 0 H SER A 111 -5.792 -0.754 1.091 1.00 0.00 H new ATOM 0 HA SER A 111 -6.553 -1.710 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.339 -2.549 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.857 -3.487 3.092 1.00 0.00 H new ATOM 0 HG SER A 111 -6.502 -2.675 0.893 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.573 -0.282 3.520 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.542 0.325 4.356 1.00 0.00 C ATOM 1736 C ILE A 112 -3.169 1.346 5.284 1.00 0.00 C ATOM 1737 O ILE A 112 -2.797 1.391 6.451 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.425 0.969 3.519 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.663 -0.149 2.824 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.498 1.796 4.402 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.270 0.296 1.743 1.00 0.00 C ATOM 0 H ILE A 112 -3.454 -0.097 2.524 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.082 -0.467 4.947 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.849 1.647 2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.092 -0.698 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.383 -0.847 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.285 2.243 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.070 2.584 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.046 1.153 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.765 -0.573 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.293 0.817 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.018 0.968 2.162 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.082 2.176 4.784 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.774 3.125 5.651 1.00 0.00 C ATOM 1755 C ILE A 113 -5.530 2.387 6.759 1.00 0.00 C ATOM 1756 O ILE A 113 -5.492 2.810 7.918 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.755 3.999 4.853 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -4.980 4.929 3.922 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.623 4.801 5.811 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.857 5.609 2.899 1.00 0.00 C ATOM 0 H ILE A 113 -4.356 2.211 3.802 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.019 3.772 6.098 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.400 3.362 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.471 5.687 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.208 4.357 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.317 5.419 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.184 4.120 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.990 5.439 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.247 6.256 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.346 4.856 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.613 6.207 3.408 1.00 0.00 H new ATOM 1772 N SER A 114 -6.233 1.311 6.391 1.00 0.00 N ATOM 1773 CA SER A 114 -6.963 0.491 7.351 1.00 0.00 C ATOM 1774 C SER A 114 -6.010 -0.121 8.373 1.00 0.00 C ATOM 1775 O SER A 114 -6.334 -0.141 9.561 1.00 0.00 O ATOM 1776 CB SER A 114 -7.729 -0.609 6.638 1.00 0.00 C ATOM 1777 OG SER A 114 -8.745 -0.080 5.831 1.00 0.00 O ATOM 0 H SER A 114 -6.309 0.989 5.426 1.00 0.00 H new ATOM 0 HA SER A 114 -7.671 1.134 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.043 -1.195 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.161 -1.289 7.372 1.00 0.00 H new ATOM 0 HG SER A 114 -8.348 0.343 5.041 1.00 0.00 H new ATOM 1783 N MET A 115 -4.857 -0.603 7.901 1.00 0.00 N ATOM 1784 CA MET A 115 -3.791 -1.161 8.720 1.00 0.00 C ATOM 1785 C MET A 115 -3.335 -0.146 9.741 1.00 0.00 C ATOM 1786 O MET A 115 -3.235 -0.469 10.923 1.00 0.00 O ATOM 1787 CB MET A 115 -2.582 -1.557 7.881 1.00 0.00 C ATOM 1788 CG MET A 115 -1.428 -2.117 8.695 1.00 0.00 C ATOM 1789 SD MET A 115 0.073 -2.216 7.714 1.00 0.00 S ATOM 1790 CE MET A 115 0.302 -0.437 7.670 1.00 0.00 C ATOM 0 H MET A 115 -4.638 -0.613 6.905 1.00 0.00 H new ATOM 0 HA MET A 115 -4.196 -2.048 9.207 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.890 -2.300 7.145 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.234 -0.685 7.327 1.00 0.00 H new ATOM 0 HG2 MET A 115 -1.255 -1.486 9.567 1.00 0.00 H new ATOM 0 HG3 MET A 115 -1.689 -3.108 9.066 1.00 0.00 H new ATOM 0 HE1 MET A 115 1.351 -0.210 7.481 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.310 -0.011 6.875 1.00 0.00 H new ATOM 0 HE3 MET A 115 0.004 -0.008 8.627 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.052 1.072 9.281 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.593 2.156 10.133 1.00 0.00 C ATOM 1802 C LEU A 116 -3.606 2.462 11.233 1.00 0.00 C ATOM 1803 O LEU A 116 -3.211 2.732 12.368 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.362 3.425 9.288 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.196 3.465 8.289 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.326 4.715 7.427 1.00 0.00 C ATOM 1807 CD2 LEU A 116 0.114 3.492 9.045 1.00 0.00 C ATOM 0 H LEU A 116 -3.137 1.331 8.298 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.658 1.843 10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.278 3.617 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.230 4.258 9.979 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.219 2.581 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.502 4.753 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.272 4.688 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.296 5.600 8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.942 3.520 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.149 4.377 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.196 2.598 9.663 1.00 0.00 H new ATOM 1819 N SER A 117 -4.908 2.435 10.921 1.00 0.00 N ATOM 1820 CA SER A 117 -5.894 2.671 11.974 1.00 0.00 C ATOM 1821 C SER A 117 -6.098 1.466 12.885 1.00 0.00 C ATOM 1822 O SER A 117 -6.498 1.632 14.038 1.00 0.00 O ATOM 1823 CB SER A 117 -7.245 3.030 11.388 1.00 0.00 C ATOM 1824 OG SER A 117 -7.826 1.928 10.746 1.00 0.00 O ATOM 0 H SER A 117 -5.288 2.260 9.991 1.00 0.00 H new ATOM 0 HA SER A 117 -5.490 3.496 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.906 3.383 12.180 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.131 3.849 10.678 1.00 0.00 H new ATOM 0 HG SER A 117 -7.121 1.337 10.408 1.00 0.00 H new ATOM 1830 N SER A 118 -5.835 0.258 12.383 1.00 0.00 N ATOM 1831 CA SER A 118 -5.982 -0.945 13.191 1.00 0.00 C ATOM 1832 C SER A 118 -4.675 -1.689 13.448 1.00 0.00 C ATOM 1833 O SER A 118 -4.659 -2.920 13.419 1.00 0.00 O ATOM 1834 CB SER A 118 -6.959 -1.893 12.519 1.00 0.00 C ATOM 1835 OG SER A 118 -6.534 -2.244 11.231 1.00 0.00 O ATOM 0 H SER A 118 -5.521 0.091 11.427 1.00 0.00 H new ATOM 0 HA SER A 118 -6.349 -0.610 14.161 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.069 -2.793 13.124 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.942 -1.425 12.463 1.00 0.00 H new ATOM 0 HG SER A 118 -6.528 -1.448 10.660 1.00 0.00 H new