USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 2 GLN : amide:sc= 0 K(o=-2.6,f=-2.1) USER MOD Set 1.2: A 119 GLN : amide:sc= -2.64! C(o=-2.6!,f=-2.1!) USER MOD Set 2.1: A 60 GLN : amide:sc= -3.62! C(o=-5!,f=-12!) USER MOD Set 2.2: A 85 GLN : amide:sc= -1.4 K(o=-5,f=-15!) USER MOD Set 3.1: A 71 ASN : amide:sc= -0.754 X(o=0.45,f=0.27!) USER MOD Set 3.2: A 74 THR OG1 : rot 170:sc= 1.2 USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 9 THR OG1 : rot 9:sc= 0.898! USER MOD Set 5.2: A 88 ASN : amide:sc= 0.399 K(o=1.3,f=-5!) USER MOD Single : A 1 GLU N :NH3+ 152:sc= -0.356 (180deg=-1.98!) USER MOD Single : A 4 ASN : amide:sc= 0.681 K(o=0.68,f=-1) USER MOD Single : A 10 TYR OH : rot 70:sc= 1.14 USER MOD Single : A 11 HIS : no HD1:sc= -8.28! C(o=-8.3!,f=-11!) USER MOD Single : A 13 TYR OH : rot -15:sc= 0.698 USER MOD Single : A 17 GLN : amide:sc= 0.837 K(o=0.84,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.08 K(o=1.1,f=-0.15) USER MOD Single : A 28 SER OG : rot 60:sc= 0.496 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0222 (180deg=-0.367) USER MOD Single : A 41 SER OG : rot 180:sc= 0.131 USER MOD Single : A 44 SER OG : rot -82:sc= 1.11 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 126:sc= -0.858! USER MOD Single : A 49 THR OG1 : rot 54:sc= 0.408 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.531) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 77 GLN : amide:sc= -3.73! C(o=-3.7!,f=-16!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -130:sc= -0.611 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 101 LYS NZ :NH3+ 142:sc= -0.253! (180deg=-2.13!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 105 ASN : amide:sc= 0.328 K(o=0.33,f=-8.9!) USER MOD Single : A 110 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.558 K(o=-0.56,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.562! C(o=-0.56!,f=-5.5!) USER MOD Single : A 115 ASN : amide:sc= 0.979 K(o=0.98,f=-0.75) USER MOD Single : A 117 ASN : amide:sc= -3.76! C(o=-3.8!,f=-13!) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.180 17.586 -1.848 1.00 0.00 N ATOM 2 CA GLU A 1 4.379 16.321 -1.817 1.00 0.00 C ATOM 3 C GLU A 1 5.165 15.120 -2.415 1.00 0.00 C ATOM 4 O GLU A 1 4.658 14.282 -3.145 1.00 0.00 O ATOM 5 CB GLU A 1 3.094 16.635 -2.590 1.00 0.00 C ATOM 6 CG GLU A 1 3.427 17.317 -3.974 1.00 0.00 C ATOM 7 CD GLU A 1 2.138 17.923 -4.506 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.399 17.126 -5.054 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.008 19.121 -4.305 1.00 0.00 O ATOM 0 H1 GLU A 1 4.538 18.402 -1.906 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.752 17.656 -0.982 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.807 17.579 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 1 4.153 16.010 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.531 15.717 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.459 17.294 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.189 18.086 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.825 16.585 -4.676 1.00 0.00 H new ATOM 18 N GLN A 2 6.419 15.084 -2.041 1.00 0.00 N ATOM 19 CA GLN A 2 7.340 14.010 -2.514 1.00 0.00 C ATOM 20 C GLN A 2 7.969 13.313 -1.309 1.00 0.00 C ATOM 21 O GLN A 2 8.347 13.973 -0.359 1.00 0.00 O ATOM 22 CB GLN A 2 8.436 14.648 -3.386 1.00 0.00 C ATOM 23 CG GLN A 2 7.800 15.330 -4.627 1.00 0.00 C ATOM 24 CD GLN A 2 8.889 15.768 -5.596 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.755 15.001 -5.947 1.00 0.00 O ATOM 26 NE2 GLN A 2 8.894 16.980 -6.058 1.00 0.00 N ATOM 0 H GLN A 2 6.849 15.766 -1.417 1.00 0.00 H new ATOM 0 HA GLN A 2 6.790 13.273 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.994 15.382 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.148 13.886 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.118 14.639 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.210 16.192 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.170 17.638 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.622 17.275 -6.709 1.00 0.00 H new ATOM 35 N ALA A 3 8.052 12.014 -1.404 1.00 0.00 N ATOM 36 CA ALA A 3 8.651 11.210 -0.307 1.00 0.00 C ATOM 37 C ALA A 3 9.663 10.225 -0.920 1.00 0.00 C ATOM 38 O ALA A 3 9.465 9.712 -2.011 1.00 0.00 O ATOM 39 CB ALA A 3 7.522 10.477 0.392 1.00 0.00 C ATOM 0 H ALA A 3 7.726 11.472 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 3 9.176 11.834 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.927 9.875 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.813 11.200 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.013 9.828 -0.321 1.00 0.00 H new ATOM 45 N ASN A 4 10.709 10.015 -0.171 1.00 0.00 N ATOM 46 CA ASN A 4 11.819 9.097 -0.553 1.00 0.00 C ATOM 47 C ASN A 4 12.070 8.026 0.547 1.00 0.00 C ATOM 48 O ASN A 4 11.400 8.007 1.554 1.00 0.00 O ATOM 49 CB ASN A 4 13.055 10.019 -0.811 1.00 0.00 C ATOM 50 CG ASN A 4 13.312 10.998 0.340 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.595 11.949 0.572 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.333 10.825 1.113 1.00 0.00 N ATOM 0 H ASN A 4 10.845 10.465 0.734 1.00 0.00 H new ATOM 0 HA ASN A 4 11.587 8.518 -1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.940 9.400 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.899 10.580 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.508 11.474 1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.964 10.039 0.956 1.00 0.00 H new ATOM 59 N ASP A 5 13.024 7.172 0.313 1.00 0.00 N ATOM 60 CA ASP A 5 13.416 6.076 1.254 1.00 0.00 C ATOM 61 C ASP A 5 12.287 5.480 2.168 1.00 0.00 C ATOM 62 O ASP A 5 12.300 5.559 3.386 1.00 0.00 O ATOM 63 CB ASP A 5 14.599 6.653 2.091 1.00 0.00 C ATOM 64 CG ASP A 5 15.740 7.114 1.196 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.663 8.264 0.798 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.601 6.279 0.974 1.00 0.00 O ATOM 0 H ASP A 5 13.581 7.188 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 5 13.685 5.202 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.246 7.490 2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.962 5.893 2.783 1.00 0.00 H new ATOM 71 N VAL A 6 11.315 4.884 1.519 1.00 0.00 N ATOM 72 CA VAL A 6 10.166 4.253 2.288 1.00 0.00 C ATOM 73 C VAL A 6 10.214 2.699 2.167 1.00 0.00 C ATOM 74 O VAL A 6 10.827 2.172 1.256 1.00 0.00 O ATOM 75 CB VAL A 6 8.818 4.809 1.726 1.00 0.00 C ATOM 76 CG1 VAL A 6 7.622 4.401 2.624 1.00 0.00 C ATOM 77 CG2 VAL A 6 8.879 6.341 1.715 1.00 0.00 C ATOM 0 H VAL A 6 11.257 4.801 0.504 1.00 0.00 H new ATOM 0 HA VAL A 6 10.251 4.506 3.345 1.00 0.00 H new ATOM 0 HB VAL A 6 8.677 4.401 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.699 4.803 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.556 3.314 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.769 4.799 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.943 6.740 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.033 6.706 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.704 6.668 1.082 1.00 0.00 H new ATOM 87 N ARG A 7 9.578 1.978 3.058 1.00 0.00 N ATOM 88 CA ARG A 7 9.618 0.462 2.972 1.00 0.00 C ATOM 89 C ARG A 7 8.514 -0.243 2.140 1.00 0.00 C ATOM 90 O ARG A 7 7.336 0.042 2.269 1.00 0.00 O ATOM 91 CB ARG A 7 9.583 -0.074 4.409 1.00 0.00 C ATOM 92 CG ARG A 7 8.195 0.314 5.048 1.00 0.00 C ATOM 93 CD ARG A 7 8.081 -0.116 6.504 1.00 0.00 C ATOM 94 NE ARG A 7 9.397 0.214 7.136 1.00 0.00 N ATOM 95 CZ ARG A 7 9.590 1.285 7.792 1.00 0.00 C ATOM 96 NH1 ARG A 7 9.595 2.360 7.130 1.00 0.00 N ATOM 97 NH2 ARG A 7 9.769 1.217 9.043 1.00 0.00 N ATOM 0 H ARG A 7 9.037 2.356 3.835 1.00 0.00 H new ATOM 0 HA ARG A 7 10.531 0.229 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.714 -1.156 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.401 0.349 4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.056 1.393 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.392 -0.147 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.266 0.408 7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.868 -1.182 6.580 1.00 0.00 H new ATOM 0 HE ARG A 7 10.168 -0.446 7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.449 2.338 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.745 3.250 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.757 0.311 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.925 2.068 9.583 1.00 0.00 H new ATOM 111 N ALA A 8 8.925 -1.157 1.304 1.00 0.00 N ATOM 112 CA ALA A 8 7.946 -1.913 0.448 1.00 0.00 C ATOM 113 C ALA A 8 8.019 -3.459 0.630 1.00 0.00 C ATOM 114 O ALA A 8 8.835 -4.136 0.038 1.00 0.00 O ATOM 115 CB ALA A 8 8.232 -1.452 -1.000 1.00 0.00 C ATOM 0 H ALA A 8 9.902 -1.419 1.171 1.00 0.00 H new ATOM 0 HA ALA A 8 6.920 -1.690 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.555 -1.962 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.081 -0.375 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.262 -1.693 -1.262 1.00 0.00 H new ATOM 121 N THR A 9 7.139 -3.942 1.477 1.00 0.00 N ATOM 122 CA THR A 9 6.999 -5.408 1.834 1.00 0.00 C ATOM 123 C THR A 9 5.732 -6.030 1.198 1.00 0.00 C ATOM 124 O THR A 9 4.708 -5.384 1.234 1.00 0.00 O ATOM 125 CB THR A 9 6.852 -5.584 3.368 1.00 0.00 C ATOM 126 OG1 THR A 9 5.597 -4.988 3.697 1.00 0.00 O ATOM 127 CG2 THR A 9 7.719 -4.661 4.188 1.00 0.00 C ATOM 0 H THR A 9 6.470 -3.348 1.967 1.00 0.00 H new ATOM 0 HA THR A 9 7.896 -5.902 1.460 1.00 0.00 H new ATOM 0 HB THR A 9 7.045 -6.638 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.116 -4.762 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.553 -4.852 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.767 -4.837 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.464 -3.626 3.962 1.00 0.00 H new ATOM 135 N TYR A 10 5.786 -7.223 0.671 1.00 0.00 N ATOM 136 CA TYR A 10 4.536 -7.820 0.052 1.00 0.00 C ATOM 137 C TYR A 10 4.128 -9.214 0.628 1.00 0.00 C ATOM 138 O TYR A 10 4.880 -9.807 1.381 1.00 0.00 O ATOM 139 CB TYR A 10 4.819 -7.882 -1.468 1.00 0.00 C ATOM 140 CG TYR A 10 5.999 -8.828 -1.723 1.00 0.00 C ATOM 141 CD1 TYR A 10 5.771 -10.187 -1.777 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.292 -8.356 -1.879 1.00 0.00 C ATOM 143 CE1 TYR A 10 6.812 -11.064 -1.983 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.327 -9.233 -2.084 1.00 0.00 C ATOM 145 CZ TYR A 10 8.088 -10.580 -2.133 1.00 0.00 C ATOM 146 OH TYR A 10 9.144 -11.432 -2.324 1.00 0.00 O ATOM 0 H TYR A 10 6.618 -7.812 0.635 1.00 0.00 H new ATOM 0 HA TYR A 10 3.674 -7.197 0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.935 -8.232 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.047 -6.886 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.767 -10.567 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.486 -7.294 -1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.626 -12.127 -2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.333 -8.860 -2.207 1.00 0.00 H new ATOM 0 HH TYR A 10 9.080 -11.838 -3.213 1.00 0.00 H new ATOM 156 N HIS A 11 2.965 -9.712 0.281 1.00 0.00 N ATOM 157 CA HIS A 11 2.520 -11.068 0.798 1.00 0.00 C ATOM 158 C HIS A 11 1.664 -11.833 -0.242 1.00 0.00 C ATOM 159 O HIS A 11 1.553 -11.374 -1.358 1.00 0.00 O ATOM 160 CB HIS A 11 1.753 -10.879 2.172 1.00 0.00 C ATOM 161 CG HIS A 11 0.716 -9.773 2.219 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.994 -8.523 2.101 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.650 -9.815 2.411 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.085 -7.821 2.211 1.00 0.00 C ATOM 165 NE2 HIS A 11 -1.131 -8.586 2.405 1.00 0.00 N ATOM 0 H HIS A 11 2.299 -9.248 -0.336 1.00 0.00 H new ATOM 0 HA HIS A 11 3.403 -11.684 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.261 -11.819 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.491 -10.689 2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.234 -10.713 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.120 -6.743 2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.102 -8.296 2.525 1.00 0.00 H new ATOM 173 N TYR A 12 1.086 -12.952 0.107 1.00 0.00 N ATOM 174 CA TYR A 12 0.258 -13.717 -0.907 1.00 0.00 C ATOM 175 C TYR A 12 -1.269 -13.771 -0.662 1.00 0.00 C ATOM 176 O TYR A 12 -1.813 -14.764 -0.217 1.00 0.00 O ATOM 177 CB TYR A 12 0.899 -15.137 -0.959 1.00 0.00 C ATOM 178 CG TYR A 12 2.389 -14.984 -1.325 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.742 -14.304 -2.472 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.392 -15.508 -0.527 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.067 -14.146 -2.821 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.724 -15.346 -0.884 1.00 0.00 C ATOM 183 CZ TYR A 12 5.066 -14.662 -2.037 1.00 0.00 C ATOM 184 OH TYR A 12 6.385 -14.496 -2.411 1.00 0.00 O ATOM 0 H TYR A 12 1.142 -13.375 1.033 1.00 0.00 H new ATOM 0 HA TYR A 12 0.293 -13.188 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.794 -15.636 0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.389 -15.757 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.971 -13.890 -3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.138 -16.044 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.321 -13.609 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.500 -15.758 -0.256 1.00 0.00 H new ATOM 0 HH TYR A 12 6.969 -14.920 -1.748 1.00 0.00 H new ATOM 194 N TYR A 13 -1.895 -12.666 -0.983 1.00 0.00 N ATOM 195 CA TYR A 13 -3.377 -12.528 -0.810 1.00 0.00 C ATOM 196 C TYR A 13 -3.990 -11.577 -1.904 1.00 0.00 C ATOM 197 O TYR A 13 -3.656 -10.412 -1.959 1.00 0.00 O ATOM 198 CB TYR A 13 -3.630 -11.990 0.663 1.00 0.00 C ATOM 199 CG TYR A 13 -3.655 -10.459 0.661 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.548 -9.747 0.236 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.794 -9.770 1.044 1.00 0.00 C ATOM 202 CE1 TYR A 13 -2.586 -8.377 0.188 1.00 0.00 C ATOM 203 CE2 TYR A 13 -4.818 -8.402 0.992 1.00 0.00 C ATOM 204 CZ TYR A 13 -3.719 -7.715 0.563 1.00 0.00 C ATOM 205 OH TYR A 13 -3.776 -6.348 0.505 1.00 0.00 O ATOM 0 H TYR A 13 -1.435 -11.839 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.874 -13.489 -0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.575 -12.377 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.846 -12.349 1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.651 -10.271 -0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.664 -10.312 1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.721 -7.823 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.707 -7.866 1.291 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.870 -5.987 0.410 1.00 0.00 H new ATOM 215 N ARG A 14 -4.861 -12.055 -2.769 1.00 0.00 N ATOM 216 CA ARG A 14 -5.471 -11.135 -3.833 1.00 0.00 C ATOM 217 C ARG A 14 -4.365 -10.974 -4.936 1.00 0.00 C ATOM 218 O ARG A 14 -3.439 -11.748 -4.873 1.00 0.00 O ATOM 219 CB ARG A 14 -5.875 -9.780 -3.072 1.00 0.00 C ATOM 220 CG ARG A 14 -7.354 -9.392 -3.123 1.00 0.00 C ATOM 221 CD ARG A 14 -7.700 -8.538 -1.835 1.00 0.00 C ATOM 222 NE ARG A 14 -6.557 -7.597 -1.452 1.00 0.00 N ATOM 223 CZ ARG A 14 -6.657 -6.307 -1.466 1.00 0.00 C ATOM 224 NH1 ARG A 14 -7.354 -5.821 -2.404 1.00 0.00 N ATOM 225 NH2 ARG A 14 -6.077 -5.557 -0.598 1.00 0.00 N ATOM 0 H ARG A 14 -5.181 -13.023 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.371 -11.502 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.581 -9.874 -2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.291 -8.962 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.563 -8.817 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.978 -10.285 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.604 -7.956 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.914 -9.208 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.667 -8.009 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.793 -6.439 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.477 -4.811 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.510 -5.975 0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.183 -4.544 -0.647 1.00 0.00 H new ATOM 239 N PRO A 15 -4.417 -10.077 -5.909 1.00 0.00 N ATOM 240 CA PRO A 15 -5.599 -9.308 -6.420 1.00 0.00 C ATOM 241 C PRO A 15 -6.569 -10.202 -7.227 1.00 0.00 C ATOM 242 O PRO A 15 -7.746 -10.329 -6.929 1.00 0.00 O ATOM 243 CB PRO A 15 -4.964 -8.159 -7.289 1.00 0.00 C ATOM 244 CG PRO A 15 -3.481 -8.174 -6.869 1.00 0.00 C ATOM 245 CD PRO A 15 -3.193 -9.663 -6.667 1.00 0.00 C ATOM 0 HA PRO A 15 -6.218 -8.912 -5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.082 -8.350 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.430 -7.195 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.840 -7.740 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.315 -7.604 -5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.090 -10.197 -7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.277 -9.835 -6.102 1.00 0.00 H new ATOM 253 N ALA A 16 -6.027 -10.824 -8.242 1.00 0.00 N ATOM 254 CA ALA A 16 -6.826 -11.723 -9.142 1.00 0.00 C ATOM 255 C ALA A 16 -7.143 -13.113 -8.539 1.00 0.00 C ATOM 256 O ALA A 16 -7.539 -14.021 -9.238 1.00 0.00 O ATOM 257 CB ALA A 16 -6.013 -11.857 -10.439 1.00 0.00 C ATOM 0 H ALA A 16 -5.042 -10.747 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.808 -11.280 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.546 -12.503 -11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.877 -10.872 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.039 -12.291 -10.214 1.00 0.00 H new ATOM 263 N GLN A 17 -6.982 -13.223 -7.248 1.00 0.00 N ATOM 264 CA GLN A 17 -7.249 -14.509 -6.526 1.00 0.00 C ATOM 265 C GLN A 17 -8.738 -14.525 -6.090 1.00 0.00 C ATOM 266 O GLN A 17 -9.459 -15.466 -6.352 1.00 0.00 O ATOM 267 CB GLN A 17 -6.248 -14.520 -5.346 1.00 0.00 C ATOM 268 CG GLN A 17 -6.260 -15.872 -4.577 1.00 0.00 C ATOM 269 CD GLN A 17 -5.225 -15.823 -3.455 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.173 -14.877 -2.699 1.00 0.00 O ATOM 271 NE2 GLN A 17 -4.392 -16.800 -3.299 1.00 0.00 N ATOM 0 H GLN A 17 -6.670 -12.460 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.105 -15.407 -7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.243 -14.327 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.491 -13.711 -4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.251 -16.061 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.036 -16.693 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.424 -17.603 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.703 -16.768 -2.547 1.00 0.00 H new ATOM 280 N ASN A 18 -9.154 -13.470 -5.442 1.00 0.00 N ATOM 281 CA ASN A 18 -10.572 -13.335 -4.967 1.00 0.00 C ATOM 282 C ASN A 18 -11.242 -12.262 -5.863 1.00 0.00 C ATOM 283 O ASN A 18 -11.703 -11.269 -5.351 1.00 0.00 O ATOM 284 CB ASN A 18 -10.543 -12.886 -3.465 1.00 0.00 C ATOM 285 CG ASN A 18 -11.898 -13.019 -2.739 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.008 -12.814 -1.553 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.988 -13.356 -3.345 1.00 0.00 N ATOM 0 H ASN A 18 -8.559 -12.674 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.130 -14.269 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.799 -13.480 -2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.217 -11.847 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.860 -13.432 -2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.977 -13.546 -4.347 1.00 0.00 H new ATOM 294 N ASN A 19 -11.273 -12.459 -7.158 1.00 0.00 N ATOM 295 CA ASN A 19 -11.902 -11.465 -8.127 1.00 0.00 C ATOM 296 C ASN A 19 -11.807 -9.972 -7.647 1.00 0.00 C ATOM 297 O ASN A 19 -12.769 -9.230 -7.708 1.00 0.00 O ATOM 298 CB ASN A 19 -13.391 -11.918 -8.302 1.00 0.00 C ATOM 299 CG ASN A 19 -14.062 -11.359 -9.569 1.00 0.00 C ATOM 300 OD1 ASN A 19 -14.452 -12.094 -10.442 1.00 0.00 O ATOM 301 ND2 ASN A 19 -14.250 -10.091 -9.769 1.00 0.00 N ATOM 0 H ASN A 19 -10.882 -13.286 -7.610 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.358 -11.475 -9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.429 -13.007 -8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.963 -11.602 -7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.704 -9.771 -10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.944 -9.414 -9.070 1.00 0.00 H new ATOM 308 N TRP A 20 -10.645 -9.560 -7.195 1.00 0.00 N ATOM 309 CA TRP A 20 -10.420 -8.160 -6.696 1.00 0.00 C ATOM 310 C TRP A 20 -11.495 -7.761 -5.704 1.00 0.00 C ATOM 311 O TRP A 20 -12.041 -6.683 -5.761 1.00 0.00 O ATOM 312 CB TRP A 20 -10.361 -7.107 -7.931 1.00 0.00 C ATOM 313 CG TRP A 20 -8.947 -7.202 -8.582 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.429 -8.416 -8.780 1.00 0.00 C ATOM 315 CD2 TRP A 20 -8.023 -6.263 -8.984 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.233 -8.208 -9.281 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.904 -6.947 -9.429 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.943 -4.878 -9.025 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.768 -6.315 -9.865 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.784 -4.250 -9.478 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.694 -4.959 -9.891 1.00 0.00 C ATOM 0 H TRP A 20 -9.817 -10.154 -7.149 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.458 -8.137 -6.184 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -11.134 -7.337 -8.664 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.549 -6.094 -7.576 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.895 -9.368 -8.572 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -6.606 -8.971 -9.536 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.785 -4.283 -8.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.922 -6.902 -10.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.748 -3.171 -9.503 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.799 -4.457 -10.228 1.00 0.00 H new ATOM 332 N ASP A 21 -11.776 -8.656 -4.795 1.00 0.00 N ATOM 333 CA ASP A 21 -12.792 -8.341 -3.776 1.00 0.00 C ATOM 334 C ASP A 21 -11.953 -7.657 -2.668 1.00 0.00 C ATOM 335 O ASP A 21 -11.711 -8.096 -1.557 1.00 0.00 O ATOM 336 CB ASP A 21 -13.439 -9.639 -3.287 1.00 0.00 C ATOM 337 CG ASP A 21 -14.663 -9.226 -2.463 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.508 -8.288 -1.691 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.666 -9.879 -2.670 1.00 0.00 O ATOM 0 H ASP A 21 -11.347 -9.578 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.612 -7.712 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.731 -10.269 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.741 -10.218 -2.682 1.00 0.00 H new ATOM 344 N LEU A 22 -11.502 -6.497 -3.053 1.00 0.00 N ATOM 345 CA LEU A 22 -10.672 -5.685 -2.124 1.00 0.00 C ATOM 346 C LEU A 22 -11.550 -5.255 -0.923 1.00 0.00 C ATOM 347 O LEU A 22 -11.088 -4.566 -0.042 1.00 0.00 O ATOM 348 CB LEU A 22 -10.119 -4.431 -2.864 1.00 0.00 C ATOM 349 CG LEU A 22 -9.875 -4.593 -4.408 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.166 -4.118 -5.086 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.784 -3.521 -4.746 1.00 0.00 C ATOM 0 H LEU A 22 -11.672 -6.078 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.827 -6.274 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.816 -3.607 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.178 -4.143 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.598 -5.604 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.062 -4.205 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.001 -4.733 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.354 -3.077 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.550 -3.563 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.159 -2.529 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.882 -3.725 -4.168 1.00 0.00 H new ATOM 363 N GLY A 23 -12.790 -5.682 -0.921 1.00 0.00 N ATOM 364 CA GLY A 23 -13.759 -5.353 0.174 1.00 0.00 C ATOM 365 C GLY A 23 -13.684 -6.458 1.229 1.00 0.00 C ATOM 366 O GLY A 23 -13.898 -6.180 2.392 1.00 0.00 O ATOM 0 H GLY A 23 -13.184 -6.265 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.517 -4.387 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.771 -5.276 -0.224 1.00 0.00 H new ATOM 370 N ALA A 24 -13.408 -7.654 0.785 1.00 0.00 N ATOM 371 CA ALA A 24 -13.281 -8.867 1.652 1.00 0.00 C ATOM 372 C ALA A 24 -12.909 -8.585 3.165 1.00 0.00 C ATOM 373 O ALA A 24 -12.040 -7.788 3.479 1.00 0.00 O ATOM 374 CB ALA A 24 -12.230 -9.767 0.922 1.00 0.00 C ATOM 0 H ALA A 24 -13.256 -7.851 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.250 -9.354 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.076 -10.683 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.595 -10.018 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.286 -9.229 0.838 1.00 0.00 H new ATOM 380 N PRO A 25 -13.593 -9.261 4.069 1.00 0.00 N ATOM 381 CA PRO A 25 -13.606 -8.951 5.533 1.00 0.00 C ATOM 382 C PRO A 25 -12.348 -8.333 6.206 1.00 0.00 C ATOM 383 O PRO A 25 -12.428 -7.304 6.838 1.00 0.00 O ATOM 384 CB PRO A 25 -14.009 -10.299 6.200 1.00 0.00 C ATOM 385 CG PRO A 25 -14.202 -11.310 5.034 1.00 0.00 C ATOM 386 CD PRO A 25 -14.444 -10.454 3.785 1.00 0.00 C ATOM 0 HA PRO A 25 -14.295 -8.119 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.236 -10.640 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.926 -10.190 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.322 -11.941 4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.046 -11.973 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.140 -10.966 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.495 -10.189 3.667 1.00 0.00 H new ATOM 394 N ALA A 26 -11.221 -8.979 6.046 1.00 0.00 N ATOM 395 CA ALA A 26 -9.921 -8.498 6.645 1.00 0.00 C ATOM 396 C ALA A 26 -9.082 -7.540 5.758 1.00 0.00 C ATOM 397 O ALA A 26 -7.922 -7.286 6.024 1.00 0.00 O ATOM 398 CB ALA A 26 -9.129 -9.774 7.010 1.00 0.00 C ATOM 0 H ALA A 26 -11.138 -9.844 5.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.148 -7.875 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.172 -9.495 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.700 -10.364 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.955 -10.364 6.110 1.00 0.00 H new ATOM 404 N VAL A 27 -9.721 -7.060 4.734 1.00 0.00 N ATOM 405 CA VAL A 27 -9.086 -6.112 3.740 1.00 0.00 C ATOM 406 C VAL A 27 -9.797 -4.749 3.793 1.00 0.00 C ATOM 407 O VAL A 27 -9.294 -3.665 4.003 1.00 0.00 O ATOM 408 CB VAL A 27 -9.255 -6.678 2.328 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.368 -5.906 1.362 1.00 0.00 C ATOM 410 CG2 VAL A 27 -8.836 -8.160 2.279 1.00 0.00 C ATOM 0 H VAL A 27 -10.694 -7.285 4.525 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.031 -5.995 3.986 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.305 -6.586 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.488 -6.309 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.653 -4.854 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.326 -6.001 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.965 -8.541 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.790 -8.252 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.457 -8.736 2.965 1.00 0.00 H new ATOM 420 N SER A 28 -11.056 -4.952 3.578 1.00 0.00 N ATOM 421 CA SER A 28 -12.095 -3.887 3.546 1.00 0.00 C ATOM 422 C SER A 28 -11.691 -2.526 2.928 1.00 0.00 C ATOM 423 O SER A 28 -11.751 -1.505 3.581 1.00 0.00 O ATOM 424 CB SER A 28 -12.566 -3.668 4.991 1.00 0.00 C ATOM 425 OG SER A 28 -11.442 -3.078 5.654 1.00 0.00 O ATOM 0 H SER A 28 -11.437 -5.883 3.410 1.00 0.00 H new ATOM 0 HA SER A 28 -12.872 -4.252 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.437 -3.013 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.854 -4.609 5.461 1.00 0.00 H new ATOM 0 HG SER A 28 -11.209 -2.234 5.214 1.00 0.00 H new ATOM 431 N ALA A 29 -11.301 -2.528 1.688 1.00 0.00 N ATOM 432 CA ALA A 29 -10.885 -1.256 1.015 1.00 0.00 C ATOM 433 C ALA A 29 -11.959 -0.273 0.475 1.00 0.00 C ATOM 434 O ALA A 29 -12.994 -0.618 -0.071 1.00 0.00 O ATOM 435 CB ALA A 29 -9.977 -1.649 -0.138 1.00 0.00 C ATOM 0 H ALA A 29 -11.250 -3.360 1.101 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.431 -0.676 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.646 -0.753 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.110 -2.185 0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.523 -2.292 -0.828 1.00 0.00 H new ATOM 441 N TYR A 30 -11.596 0.968 0.675 1.00 0.00 N ATOM 442 CA TYR A 30 -12.421 2.138 0.259 1.00 0.00 C ATOM 443 C TYR A 30 -13.279 2.121 -1.018 1.00 0.00 C ATOM 444 O TYR A 30 -14.483 2.036 -0.954 1.00 0.00 O ATOM 445 CB TYR A 30 -11.484 3.395 0.170 1.00 0.00 C ATOM 446 CG TYR A 30 -11.938 4.519 1.126 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.284 4.779 1.285 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.032 5.303 1.808 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.713 5.795 2.101 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.453 6.342 2.639 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.803 6.578 2.777 1.00 0.00 C ATOM 452 OH TYR A 30 -13.242 7.585 3.598 1.00 0.00 O ATOM 0 H TYR A 30 -10.721 1.226 1.131 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.182 2.132 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.462 3.104 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.475 3.770 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -14.009 4.175 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.975 5.109 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.771 5.982 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.733 6.951 3.165 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.472 8.039 3.999 1.00 0.00 H new ATOM 462 N CYS A 31 -12.628 2.181 -2.142 1.00 0.00 N ATOM 463 CA CYS A 31 -13.328 2.196 -3.460 1.00 0.00 C ATOM 464 C CYS A 31 -13.768 0.810 -3.935 1.00 0.00 C ATOM 465 O CYS A 31 -14.354 0.692 -4.992 1.00 0.00 O ATOM 466 CB CYS A 31 -12.350 2.882 -4.463 1.00 0.00 C ATOM 467 SG CYS A 31 -13.021 4.197 -5.509 1.00 0.00 S ATOM 0 H CYS A 31 -11.611 2.222 -2.207 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.264 2.748 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.518 3.296 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.938 2.111 -5.114 1.00 0.00 H new ATOM 472 N ALA A 32 -13.478 -0.207 -3.151 1.00 0.00 N ATOM 473 CA ALA A 32 -13.874 -1.618 -3.528 1.00 0.00 C ATOM 474 C ALA A 32 -15.216 -1.623 -4.308 1.00 0.00 C ATOM 475 O ALA A 32 -15.297 -2.140 -5.404 1.00 0.00 O ATOM 476 CB ALA A 32 -13.961 -2.416 -2.217 1.00 0.00 C ATOM 0 H ALA A 32 -12.983 -0.125 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.141 -2.074 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.245 -3.445 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.991 -2.405 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.709 -1.964 -1.565 1.00 0.00 H new ATOM 482 N THR A 33 -16.187 -1.023 -3.662 1.00 0.00 N ATOM 483 CA THR A 33 -17.608 -0.848 -4.149 1.00 0.00 C ATOM 484 C THR A 33 -17.753 -0.284 -5.573 1.00 0.00 C ATOM 485 O THR A 33 -18.624 -0.655 -6.331 1.00 0.00 O ATOM 486 CB THR A 33 -18.321 0.096 -3.174 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.155 -0.508 -1.904 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.830 0.080 -3.303 1.00 0.00 C ATOM 0 H THR A 33 -16.042 -0.613 -2.740 1.00 0.00 H new ATOM 0 HA THR A 33 -18.046 -1.846 -4.186 1.00 0.00 H new ATOM 0 HB THR A 33 -17.927 1.098 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.588 0.045 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.264 0.772 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.112 0.383 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.201 -0.926 -3.109 1.00 0.00 H new ATOM 496 N TRP A 34 -16.871 0.611 -5.894 1.00 0.00 N ATOM 497 CA TRP A 34 -16.844 1.295 -7.222 1.00 0.00 C ATOM 498 C TRP A 34 -15.848 0.699 -8.235 1.00 0.00 C ATOM 499 O TRP A 34 -16.052 0.775 -9.437 1.00 0.00 O ATOM 500 CB TRP A 34 -16.573 2.774 -6.830 1.00 0.00 C ATOM 501 CG TRP A 34 -17.833 3.270 -6.089 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.104 3.211 -6.592 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.874 3.791 -4.846 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.825 3.702 -5.602 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.174 4.078 -4.511 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.853 4.051 -3.949 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.457 4.616 -3.275 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.131 4.599 -2.692 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.446 4.877 -2.367 1.00 0.00 C ATOM 0 H TRP A 34 -16.130 0.914 -5.263 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.772 1.171 -7.781 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.693 2.851 -6.192 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.380 3.380 -7.715 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.434 2.853 -7.556 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.839 3.788 -5.673 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.832 3.829 -4.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.481 4.837 -3.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.335 4.801 -1.990 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.685 5.299 -1.402 1.00 0.00 H new ATOM 520 N ASP A 35 -14.806 0.120 -7.710 1.00 0.00 N ATOM 521 CA ASP A 35 -13.729 -0.510 -8.527 1.00 0.00 C ATOM 522 C ASP A 35 -13.739 -2.044 -8.747 1.00 0.00 C ATOM 523 O ASP A 35 -13.543 -2.517 -9.852 1.00 0.00 O ATOM 524 CB ASP A 35 -12.416 -0.136 -7.877 1.00 0.00 C ATOM 525 CG ASP A 35 -12.163 1.354 -7.701 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.062 2.170 -7.744 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.974 1.556 -7.515 1.00 0.00 O ATOM 0 H ASP A 35 -14.650 0.055 -6.704 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.897 -0.125 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.369 -0.611 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.605 -0.555 -8.473 1.00 0.00 H new ATOM 532 N ALA A 36 -13.950 -2.786 -7.688 1.00 0.00 N ATOM 533 CA ALA A 36 -13.977 -4.288 -7.745 1.00 0.00 C ATOM 534 C ALA A 36 -14.803 -4.815 -8.921 1.00 0.00 C ATOM 535 O ALA A 36 -14.506 -5.828 -9.523 1.00 0.00 O ATOM 536 CB ALA A 36 -14.558 -4.802 -6.422 1.00 0.00 C ATOM 0 H ALA A 36 -14.110 -2.404 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.960 -4.649 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.589 -5.891 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.931 -4.468 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.568 -4.412 -6.292 1.00 0.00 H new ATOM 542 N SER A 37 -15.827 -4.057 -9.207 1.00 0.00 N ATOM 543 CA SER A 37 -16.785 -4.378 -10.316 1.00 0.00 C ATOM 544 C SER A 37 -16.314 -3.983 -11.721 1.00 0.00 C ATOM 545 O SER A 37 -17.089 -4.100 -12.655 1.00 0.00 O ATOM 546 CB SER A 37 -18.143 -3.678 -10.031 1.00 0.00 C ATOM 547 OG SER A 37 -17.946 -2.301 -10.346 1.00 0.00 O ATOM 0 H SER A 37 -16.050 -3.199 -8.703 1.00 0.00 H new ATOM 0 HA SER A 37 -16.870 -5.465 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.939 -4.108 -10.639 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.435 -3.802 -8.988 1.00 0.00 H new ATOM 0 HG SER A 37 -18.777 -1.807 -10.186 1.00 0.00 H new ATOM 553 N LYS A 38 -15.095 -3.526 -11.884 1.00 0.00 N ATOM 554 CA LYS A 38 -14.660 -3.167 -13.277 1.00 0.00 C ATOM 555 C LYS A 38 -14.098 -4.454 -13.918 1.00 0.00 C ATOM 556 O LYS A 38 -13.736 -5.386 -13.220 1.00 0.00 O ATOM 557 CB LYS A 38 -13.550 -2.046 -13.237 1.00 0.00 C ATOM 558 CG LYS A 38 -14.197 -0.647 -13.455 1.00 0.00 C ATOM 559 CD LYS A 38 -15.180 -0.318 -12.300 1.00 0.00 C ATOM 560 CE LYS A 38 -15.967 0.967 -12.580 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.902 0.703 -13.733 1.00 0.00 N ATOM 0 H LYS A 38 -14.404 -3.389 -11.147 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.498 -2.777 -13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.031 -2.070 -12.279 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.803 -2.235 -14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.420 0.116 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.726 -0.629 -14.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.873 -1.148 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.625 -0.210 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.529 1.269 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.287 1.785 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.656 1.419 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.373 0.749 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.323 -0.242 -13.629 1.00 0.00 H new ATOM 575 N PRO A 39 -14.038 -4.496 -15.225 1.00 0.00 N ATOM 576 CA PRO A 39 -13.396 -5.640 -15.931 1.00 0.00 C ATOM 577 C PRO A 39 -11.944 -5.854 -15.453 1.00 0.00 C ATOM 578 O PRO A 39 -11.451 -5.162 -14.582 1.00 0.00 O ATOM 579 CB PRO A 39 -13.564 -5.256 -17.426 1.00 0.00 C ATOM 580 CG PRO A 39 -13.657 -3.704 -17.387 1.00 0.00 C ATOM 581 CD PRO A 39 -14.558 -3.465 -16.169 1.00 0.00 C ATOM 0 HA PRO A 39 -13.842 -6.614 -15.732 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.719 -5.594 -18.026 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.460 -5.702 -17.858 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.678 -3.240 -17.267 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.092 -3.299 -18.301 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.457 -2.455 -15.773 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.613 -3.612 -16.401 1.00 0.00 H new ATOM 589 N LEU A 40 -11.274 -6.813 -16.016 1.00 0.00 N ATOM 590 CA LEU A 40 -9.875 -7.095 -15.621 1.00 0.00 C ATOM 591 C LEU A 40 -8.895 -6.068 -16.197 1.00 0.00 C ATOM 592 O LEU A 40 -7.895 -5.778 -15.581 1.00 0.00 O ATOM 593 CB LEU A 40 -9.562 -8.519 -16.115 1.00 0.00 C ATOM 594 CG LEU A 40 -9.973 -9.650 -15.130 1.00 0.00 C ATOM 595 CD1 LEU A 40 -9.183 -9.550 -13.813 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.473 -9.604 -14.793 1.00 0.00 C ATOM 0 H LEU A 40 -11.644 -7.423 -16.745 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.761 -7.023 -14.539 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.071 -8.680 -17.065 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.492 -8.595 -16.309 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.747 -10.589 -15.634 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.490 -10.353 -13.143 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.117 -9.639 -14.021 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.382 -8.588 -13.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.716 -10.412 -14.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.713 -8.647 -14.330 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.055 -9.721 -15.707 1.00 0.00 H new ATOM 608 N SER A 41 -9.220 -5.548 -17.351 1.00 0.00 N ATOM 609 CA SER A 41 -8.404 -4.548 -18.084 1.00 0.00 C ATOM 610 C SER A 41 -7.802 -3.459 -17.189 1.00 0.00 C ATOM 611 O SER A 41 -6.674 -3.565 -16.751 1.00 0.00 O ATOM 612 CB SER A 41 -9.360 -3.995 -19.153 1.00 0.00 C ATOM 613 OG SER A 41 -9.964 -5.164 -19.699 1.00 0.00 O ATOM 0 H SER A 41 -10.078 -5.799 -17.842 1.00 0.00 H new ATOM 0 HA SER A 41 -7.514 -5.001 -18.521 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.103 -3.325 -18.719 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.825 -3.427 -19.914 1.00 0.00 H new ATOM 0 HG SER A 41 -10.600 -4.907 -20.399 1.00 0.00 H new ATOM 619 N TRP A 42 -8.593 -2.452 -16.928 1.00 0.00 N ATOM 620 CA TRP A 42 -8.113 -1.311 -16.068 1.00 0.00 C ATOM 621 C TRP A 42 -7.524 -1.782 -14.726 1.00 0.00 C ATOM 622 O TRP A 42 -6.466 -1.372 -14.285 1.00 0.00 O ATOM 623 CB TRP A 42 -9.304 -0.362 -15.819 1.00 0.00 C ATOM 624 CG TRP A 42 -8.788 0.904 -15.133 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.027 1.819 -15.778 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.981 1.299 -13.853 1.00 0.00 C ATOM 627 NE1 TRP A 42 -7.801 2.718 -14.843 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.330 2.499 -13.650 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.686 0.721 -12.810 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.381 3.113 -12.418 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.744 1.334 -11.574 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.089 2.531 -11.379 1.00 0.00 C ATOM 0 H TRP A 42 -9.550 -2.363 -17.269 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.307 -0.801 -16.595 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.789 -0.110 -16.762 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.053 -0.851 -15.196 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.689 1.813 -16.804 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.241 3.550 -15.031 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.195 -0.219 -12.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.868 4.050 -12.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.298 0.879 -10.766 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.128 3.016 -10.415 1.00 0.00 H new ATOM 643 N ARG A 43 -8.272 -2.665 -14.118 1.00 0.00 N ATOM 644 CA ARG A 43 -7.834 -3.218 -12.797 1.00 0.00 C ATOM 645 C ARG A 43 -6.405 -3.796 -12.818 1.00 0.00 C ATOM 646 O ARG A 43 -5.534 -3.320 -12.113 1.00 0.00 O ATOM 647 CB ARG A 43 -8.827 -4.335 -12.341 1.00 0.00 C ATOM 648 CG ARG A 43 -10.186 -3.699 -12.008 1.00 0.00 C ATOM 649 CD ARG A 43 -11.043 -4.615 -11.113 1.00 0.00 C ATOM 650 NE ARG A 43 -11.410 -5.820 -11.923 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.678 -6.966 -11.416 1.00 0.00 C ATOM 652 NH1 ARG A 43 -10.774 -7.630 -10.829 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.874 -7.341 -11.559 1.00 0.00 N ATOM 0 H ARG A 43 -9.158 -3.026 -14.472 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.833 -2.383 -12.097 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.944 -5.078 -13.130 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.432 -4.855 -11.468 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.027 -2.745 -11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.724 -3.487 -12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.489 -4.907 -10.221 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.938 -4.093 -10.775 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.449 -5.723 -12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.829 -7.253 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.991 -8.542 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.541 -6.744 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.174 -8.241 -11.186 1.00 0.00 H new ATOM 667 N SER A 44 -6.186 -4.801 -13.624 1.00 0.00 N ATOM 668 CA SER A 44 -4.812 -5.412 -13.685 1.00 0.00 C ATOM 669 C SER A 44 -3.819 -4.429 -14.313 1.00 0.00 C ATOM 670 O SER A 44 -2.691 -4.373 -13.874 1.00 0.00 O ATOM 671 CB SER A 44 -4.827 -6.715 -14.517 1.00 0.00 C ATOM 672 OG SER A 44 -5.236 -6.306 -15.815 1.00 0.00 O ATOM 0 H SER A 44 -6.883 -5.225 -14.237 1.00 0.00 H new ATOM 0 HA SER A 44 -4.504 -5.642 -12.665 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.842 -7.182 -14.540 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.517 -7.446 -14.096 1.00 0.00 H new ATOM 0 HG SER A 44 -6.212 -6.222 -15.839 1.00 0.00 H new ATOM 678 N LYS A 45 -4.236 -3.701 -15.319 1.00 0.00 N ATOM 679 CA LYS A 45 -3.374 -2.687 -16.023 1.00 0.00 C ATOM 680 C LYS A 45 -2.590 -1.768 -15.073 1.00 0.00 C ATOM 681 O LYS A 45 -1.383 -1.635 -15.143 1.00 0.00 O ATOM 682 CB LYS A 45 -4.319 -1.864 -16.933 1.00 0.00 C ATOM 683 CG LYS A 45 -3.622 -0.593 -17.479 1.00 0.00 C ATOM 684 CD LYS A 45 -4.606 0.098 -18.499 1.00 0.00 C ATOM 685 CE LYS A 45 -4.162 1.529 -18.943 1.00 0.00 C ATOM 686 NZ LYS A 45 -2.821 1.443 -19.626 1.00 0.00 N ATOM 0 H LYS A 45 -5.180 -3.769 -15.700 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.605 -3.208 -16.593 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.653 -2.483 -17.766 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.209 -1.579 -16.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.377 0.088 -16.664 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.684 -0.853 -17.970 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.698 -0.533 -19.383 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.596 0.160 -18.047 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.901 1.958 -19.619 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.101 2.189 -18.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.521 2.393 -19.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.120 1.050 -18.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.895 0.827 -20.460 1.00 0.00 H new ATOM 700 N TYR A 46 -3.344 -1.162 -14.202 1.00 0.00 N ATOM 701 CA TYR A 46 -2.777 -0.209 -13.198 1.00 0.00 C ATOM 702 C TYR A 46 -2.104 -0.722 -11.890 1.00 0.00 C ATOM 703 O TYR A 46 -1.799 -1.883 -11.690 1.00 0.00 O ATOM 704 CB TYR A 46 -3.964 0.739 -12.897 1.00 0.00 C ATOM 705 CG TYR A 46 -3.630 2.193 -13.244 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.361 2.698 -13.035 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.606 3.027 -13.765 1.00 0.00 C ATOM 708 CE1 TYR A 46 -2.083 3.993 -13.336 1.00 0.00 C ATOM 709 CE2 TYR A 46 -4.307 4.346 -14.067 1.00 0.00 C ATOM 710 CZ TYR A 46 -3.034 4.812 -13.843 1.00 0.00 C ATOM 711 OH TYR A 46 -2.642 6.099 -14.089 1.00 0.00 O ATOM 0 H TYR A 46 -4.354 -1.288 -14.139 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.888 0.232 -13.650 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.837 0.421 -13.466 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.228 0.668 -11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.588 2.061 -12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.603 2.648 -13.936 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.087 4.375 -13.168 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.065 4.999 -14.473 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.850 6.332 -15.018 1.00 0.00 H new ATOM 721 N GLY A 47 -1.878 0.207 -10.991 1.00 0.00 N ATOM 722 CA GLY A 47 -1.236 -0.146 -9.677 1.00 0.00 C ATOM 723 C GLY A 47 -2.289 -0.369 -8.584 1.00 0.00 C ATOM 724 O GLY A 47 -3.463 -0.088 -8.733 1.00 0.00 O ATOM 0 H GLY A 47 -2.109 1.194 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.634 -1.047 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.559 0.653 -9.375 1.00 0.00 H new ATOM 728 N TRP A 48 -1.776 -0.867 -7.492 1.00 0.00 N ATOM 729 CA TRP A 48 -2.569 -1.206 -6.273 1.00 0.00 C ATOM 730 C TRP A 48 -1.899 -0.633 -5.011 1.00 0.00 C ATOM 731 O TRP A 48 -1.310 -1.352 -4.240 1.00 0.00 O ATOM 732 CB TRP A 48 -2.666 -2.780 -6.324 1.00 0.00 C ATOM 733 CG TRP A 48 -4.091 -3.300 -6.492 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.918 -2.669 -7.303 1.00 0.00 C ATOM 735 CD2 TRP A 48 -4.737 -4.357 -5.937 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.030 -3.352 -7.215 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.025 -4.393 -6.417 1.00 0.00 C ATOM 738 CE3 TRP A 48 -4.356 -5.315 -5.036 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.923 -5.350 -6.023 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -5.251 -6.286 -4.623 1.00 0.00 C ATOM 741 CH2 TRP A 48 -6.545 -6.308 -5.118 1.00 0.00 C ATOM 0 H TRP A 48 -0.780 -1.064 -7.391 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.566 -0.767 -6.241 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.055 -3.147 -7.149 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.244 -3.191 -5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.722 -1.791 -7.901 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.862 -3.087 -7.742 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.349 -5.313 -4.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.926 -5.350 -6.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.938 -7.033 -3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.243 -7.066 -4.797 1.00 0.00 H new ATOM 752 N THR A 49 -2.001 0.650 -4.845 1.00 0.00 N ATOM 753 CA THR A 49 -1.367 1.264 -3.627 1.00 0.00 C ATOM 754 C THR A 49 -2.409 1.808 -2.647 1.00 0.00 C ATOM 755 O THR A 49 -3.575 2.011 -2.940 1.00 0.00 O ATOM 756 CB THR A 49 -0.394 2.409 -4.071 1.00 0.00 C ATOM 757 OG1 THR A 49 0.057 3.059 -2.899 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.053 3.575 -4.736 1.00 0.00 C ATOM 0 H THR A 49 -2.479 1.295 -5.474 1.00 0.00 H new ATOM 0 HA THR A 49 -0.813 0.483 -3.106 1.00 0.00 H new ATOM 0 HB THR A 49 0.328 1.914 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.434 2.397 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.299 4.314 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.569 3.237 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.773 4.025 -4.052 1.00 0.00 H new ATOM 766 N ALA A 50 -1.920 2.019 -1.466 1.00 0.00 N ATOM 767 CA ALA A 50 -2.746 2.545 -0.354 1.00 0.00 C ATOM 768 C ALA A 50 -2.203 3.896 0.180 1.00 0.00 C ATOM 769 O ALA A 50 -1.446 4.612 -0.459 1.00 0.00 O ATOM 770 CB ALA A 50 -2.734 1.414 0.697 1.00 0.00 C ATOM 0 H ALA A 50 -0.947 1.842 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.764 2.786 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.324 1.715 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.161 0.510 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.708 1.217 1.008 1.00 0.00 H new ATOM 776 N PHE A 51 -2.646 4.215 1.368 1.00 0.00 N ATOM 777 CA PHE A 51 -2.220 5.470 2.060 1.00 0.00 C ATOM 778 C PHE A 51 -2.125 5.327 3.611 1.00 0.00 C ATOM 779 O PHE A 51 -3.105 4.977 4.247 1.00 0.00 O ATOM 780 CB PHE A 51 -3.216 6.597 1.710 1.00 0.00 C ATOM 781 CG PHE A 51 -2.728 7.895 2.400 1.00 0.00 C ATOM 782 CD1 PHE A 51 -1.531 8.493 2.038 1.00 0.00 C ATOM 783 CD2 PHE A 51 -3.479 8.480 3.397 1.00 0.00 C ATOM 784 CE1 PHE A 51 -1.097 9.647 2.658 1.00 0.00 C ATOM 785 CE2 PHE A 51 -3.046 9.634 4.017 1.00 0.00 C ATOM 786 CZ PHE A 51 -1.855 10.218 3.649 1.00 0.00 C ATOM 0 H PHE A 51 -3.302 3.644 1.901 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.215 5.703 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.271 6.736 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.219 6.339 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.929 8.049 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.415 8.031 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.162 10.100 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.645 10.082 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.519 11.121 4.138 1.00 0.00 H new ATOM 796 N CYS A 52 -0.953 5.591 4.149 1.00 0.00 N ATOM 797 CA CYS A 52 -0.742 5.505 5.642 1.00 0.00 C ATOM 798 C CYS A 52 -0.518 6.958 6.172 1.00 0.00 C ATOM 799 O CYS A 52 -1.464 7.714 6.272 1.00 0.00 O ATOM 800 CB CYS A 52 0.504 4.595 5.927 1.00 0.00 C ATOM 801 SG CYS A 52 0.358 2.798 5.770 1.00 0.00 S ATOM 0 H CYS A 52 -0.126 5.864 3.618 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.603 5.066 6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.302 4.916 5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.836 4.807 6.943 1.00 0.00 H new ATOM 806 N GLY A 53 0.693 7.320 6.505 1.00 0.00 N ATOM 807 CA GLY A 53 0.989 8.706 7.015 1.00 0.00 C ATOM 808 C GLY A 53 2.414 9.161 6.655 1.00 0.00 C ATOM 809 O GLY A 53 3.112 9.623 7.536 1.00 0.00 O ATOM 0 H GLY A 53 1.507 6.709 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.268 9.408 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.864 8.728 8.098 1.00 0.00 H new ATOM 813 N PRO A 54 2.818 9.018 5.411 1.00 0.00 N ATOM 814 CA PRO A 54 4.155 9.512 4.969 1.00 0.00 C ATOM 815 C PRO A 54 4.203 11.045 4.772 1.00 0.00 C ATOM 816 O PRO A 54 4.656 11.771 5.634 1.00 0.00 O ATOM 817 CB PRO A 54 4.399 8.682 3.693 1.00 0.00 C ATOM 818 CG PRO A 54 2.972 8.572 3.061 1.00 0.00 C ATOM 819 CD PRO A 54 2.064 8.355 4.299 1.00 0.00 C ATOM 0 HA PRO A 54 4.946 9.376 5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.101 9.175 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.814 7.701 3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.701 9.475 2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.904 7.741 2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.081 8.804 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.905 7.295 4.499 1.00 0.00 H new ATOM 827 N ALA A 55 3.740 11.497 3.644 1.00 0.00 N ATOM 828 CA ALA A 55 3.729 12.961 3.327 1.00 0.00 C ATOM 829 C ALA A 55 2.697 13.298 2.211 1.00 0.00 C ATOM 830 O ALA A 55 2.828 12.716 1.159 1.00 0.00 O ATOM 831 CB ALA A 55 5.164 13.317 2.885 1.00 0.00 C ATOM 0 H ALA A 55 3.358 10.904 2.907 1.00 0.00 H new ATOM 0 HA ALA A 55 3.427 13.544 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.217 14.378 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.859 13.097 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.431 12.728 2.007 1.00 0.00 H new ATOM 837 N GLY A 56 1.714 14.169 2.368 1.00 0.00 N ATOM 838 CA GLY A 56 0.781 14.417 1.184 1.00 0.00 C ATOM 839 C GLY A 56 -0.754 14.364 1.362 1.00 0.00 C ATOM 840 O GLY A 56 -1.311 13.293 1.499 1.00 0.00 O ATOM 0 H GLY A 56 1.515 14.699 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.024 15.402 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.040 13.690 0.414 1.00 0.00 H new ATOM 844 N PRO A 57 -1.402 15.513 1.344 1.00 0.00 N ATOM 845 CA PRO A 57 -2.811 15.664 1.833 1.00 0.00 C ATOM 846 C PRO A 57 -3.837 14.980 0.896 1.00 0.00 C ATOM 847 O PRO A 57 -4.229 15.476 -0.143 1.00 0.00 O ATOM 848 CB PRO A 57 -2.971 17.181 1.937 1.00 0.00 C ATOM 849 CG PRO A 57 -2.125 17.660 0.724 1.00 0.00 C ATOM 850 CD PRO A 57 -0.857 16.809 0.835 1.00 0.00 C ATOM 0 HA PRO A 57 -3.002 15.168 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.013 17.491 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.592 17.571 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.642 17.493 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.903 18.726 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.357 16.693 -0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.131 17.245 1.521 1.00 0.00 H new ATOM 858 N ARG A 58 -4.229 13.816 1.321 1.00 0.00 N ATOM 859 CA ARG A 58 -5.219 12.994 0.567 1.00 0.00 C ATOM 860 C ARG A 58 -5.871 11.981 1.503 1.00 0.00 C ATOM 861 O ARG A 58 -5.212 11.465 2.389 1.00 0.00 O ATOM 862 CB ARG A 58 -4.398 12.366 -0.594 1.00 0.00 C ATOM 863 CG ARG A 58 -4.767 10.904 -0.922 1.00 0.00 C ATOM 864 CD ARG A 58 -4.203 9.965 0.154 1.00 0.00 C ATOM 865 NE ARG A 58 -3.539 8.858 -0.608 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.278 8.856 -0.846 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.671 9.974 -0.865 1.00 0.00 N ATOM 868 NH2 ARG A 58 -1.684 7.746 -1.056 1.00 0.00 N ATOM 0 H ARG A 58 -3.897 13.385 2.184 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.056 13.560 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.537 12.972 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.339 12.412 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.850 10.798 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.369 10.631 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.492 10.483 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.995 9.582 0.798 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.107 8.082 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.187 10.837 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.669 10.007 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.211 6.873 -1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.682 7.732 -1.246 1.00 0.00 H new ATOM 882 N GLY A 59 -7.123 11.700 1.309 1.00 0.00 N ATOM 883 CA GLY A 59 -7.763 10.689 2.222 1.00 0.00 C ATOM 884 C GLY A 59 -7.643 9.373 1.478 1.00 0.00 C ATOM 885 O GLY A 59 -7.389 9.331 0.283 1.00 0.00 O ATOM 0 H GLY A 59 -7.723 12.103 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.255 10.647 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.805 10.938 2.421 1.00 0.00 H new ATOM 889 N GLN A 60 -7.831 8.309 2.206 1.00 0.00 N ATOM 890 CA GLN A 60 -7.744 6.960 1.564 1.00 0.00 C ATOM 891 C GLN A 60 -8.805 6.966 0.411 1.00 0.00 C ATOM 892 O GLN A 60 -8.780 6.178 -0.509 1.00 0.00 O ATOM 893 CB GLN A 60 -7.989 5.961 2.730 1.00 0.00 C ATOM 894 CG GLN A 60 -6.948 6.208 3.888 1.00 0.00 C ATOM 895 CD GLN A 60 -7.248 5.342 5.113 1.00 0.00 C ATOM 896 OE1 GLN A 60 -6.535 5.375 6.090 1.00 0.00 O ATOM 897 NE2 GLN A 60 -8.267 4.548 5.148 1.00 0.00 N ATOM 0 H GLN A 60 -8.039 8.309 3.205 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.800 6.682 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.003 6.078 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.902 4.937 2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.943 5.991 3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.964 7.260 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.895 4.488 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.443 3.981 5.977 1.00 0.00 H new ATOM 906 N ALA A 61 -9.708 7.912 0.515 1.00 0.00 N ATOM 907 CA ALA A 61 -10.805 8.115 -0.469 1.00 0.00 C ATOM 908 C ALA A 61 -10.379 9.055 -1.635 1.00 0.00 C ATOM 909 O ALA A 61 -11.230 9.684 -2.238 1.00 0.00 O ATOM 910 CB ALA A 61 -12.002 8.722 0.271 1.00 0.00 C ATOM 0 H ALA A 61 -9.723 8.582 1.284 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.062 7.152 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.821 8.881 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.326 8.042 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.712 9.676 0.712 1.00 0.00 H new ATOM 916 N ALA A 62 -9.114 9.166 -1.960 1.00 0.00 N ATOM 917 CA ALA A 62 -8.744 10.070 -3.106 1.00 0.00 C ATOM 918 C ALA A 62 -8.604 9.092 -4.300 1.00 0.00 C ATOM 919 O ALA A 62 -7.608 9.041 -5.004 1.00 0.00 O ATOM 920 CB ALA A 62 -7.425 10.766 -2.745 1.00 0.00 C ATOM 0 H ALA A 62 -8.339 8.688 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.459 10.860 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.129 11.430 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.558 11.347 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.649 10.017 -2.588 1.00 0.00 H new ATOM 926 N CYS A 63 -9.682 8.359 -4.461 1.00 0.00 N ATOM 927 CA CYS A 63 -9.842 7.315 -5.524 1.00 0.00 C ATOM 928 C CYS A 63 -10.096 7.977 -6.881 1.00 0.00 C ATOM 929 O CYS A 63 -11.090 7.813 -7.553 1.00 0.00 O ATOM 930 CB CYS A 63 -11.012 6.421 -5.111 1.00 0.00 C ATOM 931 SG CYS A 63 -11.340 5.046 -6.234 1.00 0.00 S ATOM 0 H CYS A 63 -10.503 8.450 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.937 6.717 -5.626 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.813 6.021 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.911 7.033 -5.035 1.00 0.00 H new ATOM 936 N GLY A 64 -9.112 8.751 -7.209 1.00 0.00 N ATOM 937 CA GLY A 64 -9.052 9.543 -8.470 1.00 0.00 C ATOM 938 C GLY A 64 -7.625 9.988 -8.768 1.00 0.00 C ATOM 939 O GLY A 64 -7.398 10.540 -9.822 1.00 0.00 O ATOM 0 H GLY A 64 -8.291 8.877 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.430 8.944 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.699 10.416 -8.386 1.00 0.00 H new ATOM 943 N LYS A 65 -6.708 9.757 -7.851 1.00 0.00 N ATOM 944 CA LYS A 65 -5.273 10.150 -8.042 1.00 0.00 C ATOM 945 C LYS A 65 -4.367 8.911 -8.049 1.00 0.00 C ATOM 946 O LYS A 65 -4.703 7.859 -7.528 1.00 0.00 O ATOM 947 CB LYS A 65 -4.816 11.078 -6.874 1.00 0.00 C ATOM 948 CG LYS A 65 -5.236 12.548 -7.027 1.00 0.00 C ATOM 949 CD LYS A 65 -6.729 12.654 -7.434 1.00 0.00 C ATOM 950 CE LYS A 65 -7.338 13.997 -7.060 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.376 15.077 -7.454 1.00 0.00 N ATOM 0 H LYS A 65 -6.902 9.302 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.193 10.670 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.223 10.692 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.730 11.030 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.072 13.078 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.614 13.032 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.821 12.503 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.292 11.856 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.293 14.135 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.537 14.038 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.875 15.988 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.611 15.133 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.974 14.860 -8.388 1.00 0.00 H new ATOM 965 N CYS A 66 -3.219 9.116 -8.634 1.00 0.00 N ATOM 966 CA CYS A 66 -2.198 8.052 -8.743 1.00 0.00 C ATOM 967 C CYS A 66 -0.856 8.529 -8.107 1.00 0.00 C ATOM 968 O CYS A 66 -0.672 9.664 -7.708 1.00 0.00 O ATOM 969 CB CYS A 66 -2.127 7.731 -10.245 1.00 0.00 C ATOM 970 SG CYS A 66 -3.554 6.795 -10.862 1.00 0.00 S ATOM 0 H CYS A 66 -2.945 10.006 -9.051 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.438 7.143 -8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.047 8.664 -10.803 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.218 7.163 -10.443 1.00 0.00 H new ATOM 975 N LEU A 67 0.064 7.624 -8.007 1.00 0.00 N ATOM 976 CA LEU A 67 1.409 7.899 -7.421 1.00 0.00 C ATOM 977 C LEU A 67 2.489 7.399 -8.364 1.00 0.00 C ATOM 978 O LEU A 67 2.427 6.268 -8.807 1.00 0.00 O ATOM 979 CB LEU A 67 1.455 7.178 -6.059 1.00 0.00 C ATOM 980 CG LEU A 67 1.407 8.205 -4.919 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.947 7.495 -3.656 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.821 8.682 -4.651 1.00 0.00 C ATOM 0 H LEU A 67 -0.061 6.661 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 67 1.583 8.966 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.615 6.489 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.365 6.582 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 67 0.744 9.028 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.906 8.208 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.044 7.070 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.648 6.697 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.811 9.414 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.443 7.834 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.227 9.142 -5.552 1.00 0.00 H new ATOM 994 N ARG A 68 3.445 8.220 -8.638 1.00 0.00 N ATOM 995 CA ARG A 68 4.503 7.751 -9.554 1.00 0.00 C ATOM 996 C ARG A 68 5.518 7.194 -8.555 1.00 0.00 C ATOM 997 O ARG A 68 5.999 7.926 -7.708 1.00 0.00 O ATOM 998 CB ARG A 68 4.976 8.977 -10.329 1.00 0.00 C ATOM 999 CG ARG A 68 6.201 8.615 -11.136 1.00 0.00 C ATOM 1000 CD ARG A 68 6.633 9.819 -11.973 1.00 0.00 C ATOM 1001 NE ARG A 68 7.900 9.340 -12.620 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.874 8.656 -13.704 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.772 8.153 -14.085 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.940 8.482 -14.367 1.00 0.00 N ATOM 0 H ARG A 68 3.543 9.170 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 68 4.250 7.006 -10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.184 9.333 -10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.207 9.790 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.010 8.311 -10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.985 7.766 -11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.879 10.089 -12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.803 10.701 -11.355 1.00 0.00 H new ATOM 0 HE ARG A 68 8.798 9.563 -12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.927 8.296 -13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.731 7.606 -14.945 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.817 8.886 -14.038 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.921 7.938 -15.230 1.00 0.00 H new ATOM 1018 N VAL A 69 5.791 5.925 -8.695 1.00 0.00 N ATOM 1019 CA VAL A 69 6.754 5.217 -7.795 1.00 0.00 C ATOM 1020 C VAL A 69 7.964 4.865 -8.639 1.00 0.00 C ATOM 1021 O VAL A 69 7.837 4.328 -9.723 1.00 0.00 O ATOM 1022 CB VAL A 69 6.106 3.927 -7.236 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.112 3.230 -6.281 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.844 4.300 -6.444 1.00 0.00 C ATOM 0 H VAL A 69 5.377 5.332 -9.414 1.00 0.00 H new ATOM 0 HA VAL A 69 7.035 5.845 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 69 5.845 3.259 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.664 2.320 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.019 2.978 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.360 3.903 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.383 3.396 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.114 4.961 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.139 4.809 -7.101 1.00 0.00 H new ATOM 1034 N THR A 70 9.102 5.175 -8.084 1.00 0.00 N ATOM 1035 CA THR A 70 10.431 4.930 -8.750 1.00 0.00 C ATOM 1036 C THR A 70 11.398 4.056 -7.946 1.00 0.00 C ATOM 1037 O THR A 70 11.411 4.106 -6.726 1.00 0.00 O ATOM 1038 CB THR A 70 11.047 6.295 -9.009 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.254 6.835 -10.051 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.437 6.199 -9.651 1.00 0.00 C ATOM 0 H THR A 70 9.177 5.604 -7.162 1.00 0.00 H new ATOM 0 HA THR A 70 10.253 4.367 -9.666 1.00 0.00 H new ATOM 0 HB THR A 70 11.103 6.847 -8.071 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.584 7.728 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.832 7.202 -9.815 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.106 5.649 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.362 5.678 -10.606 1.00 0.00 H new ATOM 1048 N ASN A 71 12.182 3.301 -8.678 1.00 0.00 N ATOM 1049 CA ASN A 71 13.190 2.376 -8.067 1.00 0.00 C ATOM 1050 C ASN A 71 14.683 2.708 -8.373 1.00 0.00 C ATOM 1051 O ASN A 71 15.230 2.174 -9.326 1.00 0.00 O ATOM 1052 CB ASN A 71 12.839 0.967 -8.566 1.00 0.00 C ATOM 1053 CG ASN A 71 13.746 -0.006 -7.835 1.00 0.00 C ATOM 1054 OD1 ASN A 71 13.737 -0.077 -6.630 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.565 -0.786 -8.451 1.00 0.00 N ATOM 0 H ASN A 71 12.165 3.287 -9.698 1.00 0.00 H new ATOM 0 HA ASN A 71 13.125 2.478 -6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.791 0.739 -8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.984 0.893 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.162 -1.420 -7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.616 -0.770 -9.470 1.00 0.00 H new ATOM 1062 N PRO A 72 15.311 3.551 -7.572 1.00 0.00 N ATOM 1063 CA PRO A 72 16.672 4.096 -7.868 1.00 0.00 C ATOM 1064 C PRO A 72 17.660 2.989 -8.255 1.00 0.00 C ATOM 1065 O PRO A 72 18.491 3.165 -9.119 1.00 0.00 O ATOM 1066 CB PRO A 72 17.057 4.843 -6.594 1.00 0.00 C ATOM 1067 CG PRO A 72 15.690 5.298 -6.036 1.00 0.00 C ATOM 1068 CD PRO A 72 14.788 4.072 -6.273 1.00 0.00 C ATOM 0 HA PRO A 72 16.687 4.758 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.586 4.199 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.710 5.690 -6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.752 5.554 -4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.316 6.180 -6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.878 3.338 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.735 4.346 -6.337 1.00 0.00 H new ATOM 1076 N ALA A 73 17.535 1.872 -7.585 1.00 0.00 N ATOM 1077 CA ALA A 73 18.427 0.705 -7.854 1.00 0.00 C ATOM 1078 C ALA A 73 18.423 0.277 -9.344 1.00 0.00 C ATOM 1079 O ALA A 73 19.471 0.002 -9.893 1.00 0.00 O ATOM 1080 CB ALA A 73 17.955 -0.447 -6.931 1.00 0.00 C ATOM 0 H ALA A 73 16.842 1.718 -6.852 1.00 0.00 H new ATOM 0 HA ALA A 73 19.461 0.977 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.581 -1.324 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.033 -0.134 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.918 -0.694 -7.159 1.00 0.00 H new ATOM 1086 N THR A 74 17.266 0.238 -9.961 1.00 0.00 N ATOM 1087 CA THR A 74 17.209 -0.181 -11.413 1.00 0.00 C ATOM 1088 C THR A 74 16.995 0.985 -12.353 1.00 0.00 C ATOM 1089 O THR A 74 17.495 0.999 -13.460 1.00 0.00 O ATOM 1090 CB THR A 74 16.054 -1.190 -11.664 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.835 -0.577 -11.245 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.200 -2.391 -10.738 1.00 0.00 C ATOM 0 H THR A 74 16.368 0.472 -9.537 1.00 0.00 H new ATOM 0 HA THR A 74 18.178 -0.637 -11.616 1.00 0.00 H new ATOM 0 HB THR A 74 16.069 -1.477 -12.715 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.076 -1.124 -11.538 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.386 -3.093 -10.921 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.154 -2.884 -10.929 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.165 -2.057 -9.701 1.00 0.00 H new ATOM 1100 N GLY A 75 16.242 1.929 -11.873 1.00 0.00 N ATOM 1101 CA GLY A 75 15.915 3.158 -12.658 1.00 0.00 C ATOM 1102 C GLY A 75 14.498 3.040 -13.185 1.00 0.00 C ATOM 1103 O GLY A 75 14.027 3.925 -13.867 1.00 0.00 O ATOM 0 H GLY A 75 15.825 1.903 -10.942 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.011 4.044 -12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.616 3.276 -13.484 1.00 0.00 H new ATOM 1107 N ALA A 76 13.838 1.957 -12.858 1.00 0.00 N ATOM 1108 CA ALA A 76 12.439 1.779 -13.350 1.00 0.00 C ATOM 1109 C ALA A 76 11.444 2.602 -12.501 1.00 0.00 C ATOM 1110 O ALA A 76 11.734 3.064 -11.413 1.00 0.00 O ATOM 1111 CB ALA A 76 12.120 0.267 -13.285 1.00 0.00 C ATOM 0 H ALA A 76 14.201 1.199 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 76 12.343 2.141 -14.374 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.103 0.094 -13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.821 -0.280 -13.916 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.211 -0.080 -12.256 1.00 0.00 H new ATOM 1117 N GLN A 77 10.272 2.776 -13.042 1.00 0.00 N ATOM 1118 CA GLN A 77 9.202 3.554 -12.331 1.00 0.00 C ATOM 1119 C GLN A 77 7.797 3.232 -12.875 1.00 0.00 C ATOM 1120 O GLN A 77 7.664 2.858 -14.020 1.00 0.00 O ATOM 1121 CB GLN A 77 9.560 5.077 -12.474 1.00 0.00 C ATOM 1122 CG GLN A 77 10.010 5.470 -13.923 1.00 0.00 C ATOM 1123 CD GLN A 77 8.884 5.353 -14.946 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.992 6.169 -15.054 1.00 0.00 O ATOM 1125 NE2 GLN A 77 8.872 4.344 -15.742 1.00 0.00 N ATOM 0 H GLN A 77 10.000 2.412 -13.955 1.00 0.00 H new ATOM 0 HA GLN A 77 9.169 3.276 -11.278 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.693 5.676 -12.194 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.357 5.324 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.384 6.494 -13.917 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.838 4.830 -14.227 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.605 3.638 -15.681 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.129 4.250 -16.435 1.00 0.00 H new ATOM 1134 N ILE A 78 6.780 3.357 -12.073 1.00 0.00 N ATOM 1135 CA ILE A 78 5.387 3.069 -12.547 1.00 0.00 C ATOM 1136 C ILE A 78 4.361 4.074 -11.955 1.00 0.00 C ATOM 1137 O ILE A 78 4.723 4.883 -11.121 1.00 0.00 O ATOM 1138 CB ILE A 78 5.127 1.598 -12.135 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.328 0.851 -13.214 1.00 0.00 C ATOM 1140 CG2 ILE A 78 4.439 1.464 -10.774 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.327 0.372 -14.303 1.00 0.00 C ATOM 0 H ILE A 78 6.848 3.649 -11.098 1.00 0.00 H new ATOM 0 HA ILE A 78 5.274 3.192 -13.624 1.00 0.00 H new ATOM 0 HB ILE A 78 6.110 1.137 -12.038 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.802 0.001 -12.779 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.573 1.505 -13.650 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.286 0.409 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.065 1.915 -10.004 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.475 1.972 -10.802 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.786 -0.163 -15.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.832 1.234 -14.738 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.065 -0.292 -13.853 1.00 0.00 H new ATOM 1153 N THR A 79 3.127 3.982 -12.392 1.00 0.00 N ATOM 1154 CA THR A 79 2.056 4.900 -11.883 1.00 0.00 C ATOM 1155 C THR A 79 1.076 3.975 -11.172 1.00 0.00 C ATOM 1156 O THR A 79 0.422 3.130 -11.763 1.00 0.00 O ATOM 1157 CB THR A 79 1.372 5.653 -13.067 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.368 6.566 -13.499 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.282 6.628 -12.595 1.00 0.00 C ATOM 0 H THR A 79 2.813 3.304 -13.086 1.00 0.00 H new ATOM 0 HA THR A 79 2.442 5.674 -11.220 1.00 0.00 H new ATOM 0 HB THR A 79 0.975 4.920 -13.769 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.026 7.091 -14.253 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.161 7.125 -13.458 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.490 6.078 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.723 7.374 -11.934 1.00 0.00 H new ATOM 1167 N ALA A 80 1.019 4.167 -9.893 1.00 0.00 N ATOM 1168 CA ALA A 80 0.117 3.342 -9.050 1.00 0.00 C ATOM 1169 C ALA A 80 -1.174 4.099 -8.750 1.00 0.00 C ATOM 1170 O ALA A 80 -1.121 5.296 -8.609 1.00 0.00 O ATOM 1171 CB ALA A 80 0.902 3.022 -7.776 1.00 0.00 C ATOM 0 H ALA A 80 1.563 4.866 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.183 2.423 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.287 2.414 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.808 2.474 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.171 3.950 -7.272 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.277 3.414 -8.653 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.554 4.127 -8.354 1.00 0.00 C ATOM 1179 C ARG A 81 -3.827 4.051 -6.841 1.00 0.00 C ATOM 1180 O ARG A 81 -3.626 2.998 -6.251 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.612 3.418 -9.224 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.028 3.452 -8.594 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.268 2.211 -7.699 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.052 1.007 -8.597 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.964 0.704 -9.448 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -8.153 0.471 -9.052 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.580 0.675 -10.652 1.00 0.00 N ATOM 0 H ARG A 81 -2.353 2.403 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.546 5.191 -8.590 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.645 3.891 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.313 2.381 -9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.145 4.360 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.780 3.487 -9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.578 2.198 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.277 2.215 -7.286 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.200 0.450 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.380 0.525 -8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.878 0.230 -9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.609 0.884 -10.883 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.242 0.443 -11.393 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.283 5.151 -6.283 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.591 5.236 -4.818 1.00 0.00 C ATOM 1203 C ILE A 82 -6.013 4.682 -4.554 1.00 0.00 C ATOM 1204 O ILE A 82 -6.935 4.940 -5.309 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.467 6.739 -4.405 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.003 7.221 -4.736 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.758 6.890 -2.890 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.763 8.706 -4.331 1.00 0.00 C ATOM 0 H ILE A 82 -4.458 6.015 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.899 4.638 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.187 7.347 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.287 6.585 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.817 7.103 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.671 7.939 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.768 6.539 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.041 6.299 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.740 8.990 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.459 9.348 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.921 8.821 -3.259 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.116 3.923 -3.492 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.443 3.327 -3.119 1.00 0.00 C ATOM 1222 C VAL A 83 -7.659 2.852 -1.666 1.00 0.00 C ATOM 1223 O VAL A 83 -8.630 3.162 -1.000 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.672 2.157 -4.112 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.481 1.153 -4.103 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.945 1.358 -3.766 1.00 0.00 C ATOM 0 H VAL A 83 -5.344 3.689 -2.867 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.169 4.137 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.770 2.618 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.678 0.348 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.566 1.671 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.364 0.736 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.072 0.547 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.853 0.943 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.811 2.018 -3.808 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.689 2.114 -1.213 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.762 1.541 0.173 1.00 0.00 C ATOM 1238 C ASP A 84 -5.831 2.134 1.275 1.00 0.00 C ATOM 1239 O ASP A 84 -5.137 3.126 1.101 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.549 0.020 -0.163 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.991 -1.015 0.855 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.655 -0.635 1.810 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.608 -2.135 0.533 1.00 0.00 O ATOM 0 H ASP A 84 -5.845 1.878 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.692 1.786 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.071 -0.189 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.486 -0.132 -0.351 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.878 1.481 2.405 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.043 1.886 3.587 1.00 0.00 C ATOM 1250 C GLN A 85 -4.072 0.753 3.975 1.00 0.00 C ATOM 1251 O GLN A 85 -4.398 -0.417 3.947 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.961 2.182 4.741 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.136 2.703 5.962 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.074 2.935 7.135 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.277 2.840 7.026 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.616 3.251 8.299 1.00 0.00 N ATOM 0 H GLN A 85 -6.470 0.667 2.567 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.457 2.769 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.700 2.927 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.510 1.282 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.368 1.979 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.624 3.629 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.611 3.344 8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.259 3.408 9.075 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.897 1.173 4.355 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.794 0.246 4.764 1.00 0.00 C ATOM 1267 C CYS A 86 -1.450 0.256 6.281 1.00 0.00 C ATOM 1268 O CYS A 86 -2.082 0.930 7.068 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.591 0.661 3.903 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.209 2.431 3.867 1.00 0.00 S ATOM 0 H CYS A 86 -2.644 2.160 4.402 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.103 -0.787 4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.289 0.128 4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.770 0.328 2.881 1.00 0.00 H new ATOM 1275 N ALA A 87 -0.452 -0.515 6.629 1.00 0.00 N ATOM 1276 CA ALA A 87 0.029 -0.628 8.052 1.00 0.00 C ATOM 1277 C ALA A 87 1.571 -0.473 8.125 1.00 0.00 C ATOM 1278 O ALA A 87 2.109 0.355 8.830 1.00 0.00 O ATOM 1279 CB ALA A 87 -0.418 -2.010 8.592 1.00 0.00 C ATOM 0 H ALA A 87 0.070 -1.091 5.969 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.400 0.168 8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.084 -2.123 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.505 -2.082 8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.020 -2.799 7.980 1.00 0.00 H new ATOM 1285 N ASN A 88 2.209 -1.314 7.360 1.00 0.00 N ATOM 1286 CA ASN A 88 3.709 -1.379 7.243 1.00 0.00 C ATOM 1287 C ASN A 88 4.277 -0.825 5.910 1.00 0.00 C ATOM 1288 O ASN A 88 5.258 -0.110 5.878 1.00 0.00 O ATOM 1289 CB ASN A 88 4.107 -2.870 7.420 1.00 0.00 C ATOM 1290 CG ASN A 88 3.239 -3.716 6.480 1.00 0.00 C ATOM 1291 OD1 ASN A 88 2.046 -3.811 6.651 1.00 0.00 O ATOM 1292 ND2 ASN A 88 3.697 -4.364 5.465 1.00 0.00 N ATOM 0 H ASN A 88 1.730 -2.000 6.776 1.00 0.00 H new ATOM 0 HA ASN A 88 4.139 -0.736 8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.163 -3.011 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.961 -3.182 8.454 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.063 -4.904 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.694 -4.337 5.250 1.00 0.00 H new ATOM 1299 N GLY A 89 3.633 -1.190 4.834 1.00 0.00 N ATOM 1300 CA GLY A 89 4.043 -0.755 3.446 1.00 0.00 C ATOM 1301 C GLY A 89 3.174 0.369 2.849 1.00 0.00 C ATOM 1302 O GLY A 89 2.642 1.191 3.567 1.00 0.00 O ATOM 0 H GLY A 89 2.810 -1.792 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.080 -0.420 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.006 -1.618 2.782 1.00 0.00 H new ATOM 1306 N GLY A 90 3.068 0.368 1.548 1.00 0.00 N ATOM 1307 CA GLY A 90 2.248 1.436 0.878 1.00 0.00 C ATOM 1308 C GLY A 90 1.859 1.111 -0.551 1.00 0.00 C ATOM 1309 O GLY A 90 0.725 1.315 -0.942 1.00 0.00 O ATOM 0 H GLY A 90 3.503 -0.311 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.342 1.603 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.810 2.370 0.887 1.00 0.00 H new ATOM 1313 N LEU A 91 2.810 0.634 -1.305 1.00 0.00 N ATOM 1314 CA LEU A 91 2.504 0.291 -2.723 1.00 0.00 C ATOM 1315 C LEU A 91 1.727 -1.027 -2.807 1.00 0.00 C ATOM 1316 O LEU A 91 1.216 -1.465 -1.793 1.00 0.00 O ATOM 1317 CB LEU A 91 3.849 0.217 -3.511 1.00 0.00 C ATOM 1318 CG LEU A 91 4.617 1.576 -3.543 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.639 2.777 -3.677 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.488 1.765 -2.289 1.00 0.00 C ATOM 0 H LEU A 91 3.772 0.469 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 91 1.870 1.058 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.486 -0.543 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.647 -0.103 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 91 5.265 1.547 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.206 3.708 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.069 2.680 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.956 2.786 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.007 2.722 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.856 1.749 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.219 0.959 -2.229 1.00 0.00 H new ATOM 1332 N ASP A 92 1.667 -1.572 -4.006 1.00 0.00 N ATOM 1333 CA ASP A 92 0.946 -2.854 -4.300 1.00 0.00 C ATOM 1334 C ASP A 92 0.291 -3.530 -3.072 1.00 0.00 C ATOM 1335 O ASP A 92 0.955 -3.994 -2.155 1.00 0.00 O ATOM 1336 CB ASP A 92 1.952 -3.808 -5.016 1.00 0.00 C ATOM 1337 CG ASP A 92 3.351 -3.729 -4.437 1.00 0.00 C ATOM 1338 OD1 ASP A 92 4.079 -2.869 -4.921 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.601 -4.530 -3.556 1.00 0.00 O ATOM 0 H ASP A 92 2.110 -1.158 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 92 0.097 -2.620 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.590 -4.833 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.988 -3.560 -6.077 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.023 -3.553 -3.068 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.688 -4.206 -1.894 1.00 0.00 C ATOM 1346 C LEU A 93 -1.088 -5.622 -1.758 1.00 0.00 C ATOM 1347 O LEU A 93 -0.617 -5.968 -0.686 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.247 -4.297 -2.104 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.831 -3.021 -2.781 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.355 -3.101 -2.728 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -3.412 -1.744 -2.051 1.00 0.00 C ATOM 0 H LEU A 93 -1.637 -3.169 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.517 -3.619 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.478 -5.168 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.732 -4.448 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.454 -2.982 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.782 -2.215 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.691 -3.991 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.681 -3.154 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.841 -0.879 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.771 -1.778 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.325 -1.664 -2.053 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.145 -6.378 -2.841 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.620 -7.746 -2.886 1.00 0.00 C ATOM 1365 C ASP A 94 0.832 -7.738 -3.319 1.00 0.00 C ATOM 1366 O ASP A 94 1.703 -7.875 -2.475 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.468 -8.577 -3.870 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.984 -10.040 -3.826 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.119 -10.577 -2.742 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.518 -10.553 -4.824 1.00 0.00 O ATOM 0 H ASP A 94 -1.557 -6.066 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.676 -8.191 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.523 -8.520 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.374 -8.178 -4.880 1.00 0.00 H new ATOM 1375 N TRP A 95 1.037 -7.575 -4.616 1.00 0.00 N ATOM 1376 CA TRP A 95 2.443 -7.568 -5.119 1.00 0.00 C ATOM 1377 C TRP A 95 2.711 -7.235 -6.587 1.00 0.00 C ATOM 1378 O TRP A 95 3.297 -6.244 -6.969 1.00 0.00 O ATOM 1379 CB TRP A 95 2.942 -8.939 -4.842 1.00 0.00 C ATOM 1380 CG TRP A 95 4.350 -9.294 -5.353 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.484 -8.568 -5.127 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.649 -10.388 -6.087 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.407 -9.281 -5.749 1.00 0.00 N ATOM 1384 CE2 TRP A 95 5.995 -10.377 -6.347 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.878 -11.433 -6.572 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 6.585 -11.374 -7.074 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 4.463 -12.446 -7.307 1.00 0.00 C ATOM 1388 CH2 TRP A 95 5.822 -12.417 -7.559 1.00 0.00 C ATOM 0 H TRP A 95 0.310 -7.451 -5.321 1.00 0.00 H new ATOM 0 HA TRP A 95 2.943 -6.743 -4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.926 -9.092 -3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.237 -9.649 -5.275 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.598 -7.645 -4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.386 -8.996 -5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.816 -11.455 -6.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.647 -11.345 -7.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.860 -13.259 -7.684 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.284 -13.207 -8.133 1.00 0.00 H new ATOM 1399 N ASP A 96 2.207 -8.176 -7.328 1.00 0.00 N ATOM 1400 CA ASP A 96 2.275 -8.267 -8.830 1.00 0.00 C ATOM 1401 C ASP A 96 2.124 -6.957 -9.570 1.00 0.00 C ATOM 1402 O ASP A 96 2.901 -6.594 -10.441 1.00 0.00 O ATOM 1403 CB ASP A 96 1.181 -9.322 -9.291 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.206 -9.132 -8.665 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.316 -8.296 -7.790 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.098 -9.843 -9.098 1.00 0.00 O ATOM 0 H ASP A 96 1.702 -8.962 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 96 3.284 -8.585 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.084 -9.272 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.538 -10.323 -9.049 1.00 0.00 H new ATOM 1411 N THR A 97 1.080 -6.321 -9.159 1.00 0.00 N ATOM 1412 CA THR A 97 0.649 -5.010 -9.682 1.00 0.00 C ATOM 1413 C THR A 97 1.880 -4.117 -9.826 1.00 0.00 C ATOM 1414 O THR A 97 2.331 -3.956 -10.941 1.00 0.00 O ATOM 1415 CB THR A 97 -0.444 -4.417 -8.692 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.186 -3.962 -7.506 1.00 0.00 O ATOM 1417 CG2 THR A 97 -1.311 -5.547 -8.090 1.00 0.00 C ATOM 0 H THR A 97 0.466 -6.684 -8.430 1.00 0.00 H new ATOM 0 HA THR A 97 0.191 -5.087 -10.668 1.00 0.00 H new ATOM 0 HB THR A 97 -0.990 -3.669 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.281 -4.328 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.052 -5.117 -7.416 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.818 -6.083 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.675 -6.238 -7.537 1.00 0.00 H new ATOM 1425 N VAL A 98 2.385 -3.556 -8.770 1.00 0.00 N ATOM 1426 CA VAL A 98 3.596 -2.675 -8.846 1.00 0.00 C ATOM 1427 C VAL A 98 4.989 -3.302 -8.685 1.00 0.00 C ATOM 1428 O VAL A 98 5.732 -3.472 -9.629 1.00 0.00 O ATOM 1429 CB VAL A 98 3.429 -1.543 -7.811 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.688 -0.626 -7.758 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.226 -0.696 -8.198 1.00 0.00 C ATOM 0 H VAL A 98 2.006 -3.669 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 98 3.607 -2.346 -9.885 1.00 0.00 H new ATOM 0 HB VAL A 98 3.291 -1.996 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.535 0.160 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.559 -1.220 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.852 -0.176 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.098 0.108 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.385 -0.269 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.331 -1.319 -8.211 1.00 0.00 H new ATOM 1441 N PHE A 99 5.273 -3.615 -7.446 1.00 0.00 N ATOM 1442 CA PHE A 99 6.597 -4.219 -7.017 1.00 0.00 C ATOM 1443 C PHE A 99 7.450 -4.935 -8.095 1.00 0.00 C ATOM 1444 O PHE A 99 8.415 -4.395 -8.601 1.00 0.00 O ATOM 1445 CB PHE A 99 6.303 -5.183 -5.819 1.00 0.00 C ATOM 1446 CG PHE A 99 7.594 -5.377 -5.001 1.00 0.00 C ATOM 1447 CD1 PHE A 99 7.964 -4.388 -4.115 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.396 -6.496 -5.122 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.116 -4.505 -3.360 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.546 -6.623 -4.372 1.00 0.00 C ATOM 1451 CZ PHE A 99 9.907 -5.627 -3.490 1.00 0.00 C ATOM 0 H PHE A 99 4.621 -3.475 -6.674 1.00 0.00 H new ATOM 0 HA PHE A 99 7.232 -3.373 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.516 -4.770 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.944 -6.144 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.345 -3.509 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.119 -7.280 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.395 -3.721 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.164 -7.503 -4.476 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.808 -5.725 -2.902 1.00 0.00 H new ATOM 1461 N THR A 100 7.078 -6.131 -8.429 1.00 0.00 N ATOM 1462 CA THR A 100 7.852 -6.896 -9.463 1.00 0.00 C ATOM 1463 C THR A 100 8.123 -6.073 -10.738 1.00 0.00 C ATOM 1464 O THR A 100 9.215 -6.077 -11.263 1.00 0.00 O ATOM 1465 CB THR A 100 7.082 -8.211 -9.860 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.496 -7.978 -11.129 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.769 -8.392 -9.127 1.00 0.00 C ATOM 0 H THR A 100 6.274 -6.621 -8.038 1.00 0.00 H new ATOM 0 HA THR A 100 8.814 -7.138 -9.010 1.00 0.00 H new ATOM 0 HB THR A 100 7.804 -9.014 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.006 -8.777 -11.415 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.296 -9.319 -9.452 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.955 -8.436 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.111 -7.552 -9.347 1.00 0.00 H new ATOM 1475 N LYS A 101 7.127 -5.354 -11.201 1.00 0.00 N ATOM 1476 CA LYS A 101 7.305 -4.546 -12.438 1.00 0.00 C ATOM 1477 C LYS A 101 8.500 -3.614 -12.373 1.00 0.00 C ATOM 1478 O LYS A 101 9.205 -3.428 -13.345 1.00 0.00 O ATOM 1479 CB LYS A 101 6.031 -3.727 -12.700 1.00 0.00 C ATOM 1480 CG LYS A 101 4.894 -4.696 -13.017 1.00 0.00 C ATOM 1481 CD LYS A 101 3.673 -3.876 -13.490 1.00 0.00 C ATOM 1482 CE LYS A 101 2.517 -4.826 -13.834 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.214 -5.730 -12.680 1.00 0.00 N ATOM 0 H LYS A 101 6.203 -5.295 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 101 7.491 -5.246 -13.253 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.782 -3.122 -11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.186 -3.039 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.200 -5.400 -13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.638 -5.283 -12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.365 -3.180 -12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.939 -3.279 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.630 -4.248 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.777 -5.421 -14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.186 -5.871 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.680 -6.648 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.565 -5.300 -11.801 1.00 0.00 H new ATOM 1497 N ILE A 102 8.697 -3.045 -11.221 1.00 0.00 N ATOM 1498 CA ILE A 102 9.864 -2.111 -11.099 1.00 0.00 C ATOM 1499 C ILE A 102 11.169 -2.830 -10.666 1.00 0.00 C ATOM 1500 O ILE A 102 12.187 -2.173 -10.506 1.00 0.00 O ATOM 1501 CB ILE A 102 9.458 -0.955 -10.100 1.00 0.00 C ATOM 1502 CG1 ILE A 102 8.969 -1.525 -8.730 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.333 -0.097 -10.770 1.00 0.00 C ATOM 1504 CD1 ILE A 102 8.637 -0.395 -7.729 1.00 0.00 C ATOM 0 H ILE A 102 8.130 -3.173 -10.383 1.00 0.00 H new ATOM 0 HA ILE A 102 10.093 -1.692 -12.079 1.00 0.00 H new ATOM 0 HB ILE A 102 10.332 -0.337 -9.894 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.085 -2.144 -8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.739 -2.171 -8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.038 0.707 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.706 0.329 -11.701 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.470 -0.729 -10.980 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.300 -0.830 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.528 0.208 -7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.848 0.235 -8.140 1.00 0.00 H new ATOM 1516 N ASP A 103 11.133 -4.130 -10.509 1.00 0.00 N ATOM 1517 CA ASP A 103 12.357 -4.884 -10.092 1.00 0.00 C ATOM 1518 C ASP A 103 12.839 -5.783 -11.266 1.00 0.00 C ATOM 1519 O ASP A 103 12.193 -6.719 -11.698 1.00 0.00 O ATOM 1520 CB ASP A 103 12.010 -5.745 -8.836 1.00 0.00 C ATOM 1521 CG ASP A 103 13.275 -6.169 -8.080 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.239 -6.452 -8.769 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.192 -6.192 -6.861 1.00 0.00 O ATOM 0 H ASP A 103 10.303 -4.705 -10.653 1.00 0.00 H new ATOM 0 HA ASP A 103 13.162 -4.194 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.361 -5.175 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.454 -6.631 -9.143 1.00 0.00 H new ATOM 1528 N THR A 104 14.004 -5.438 -11.739 1.00 0.00 N ATOM 1529 CA THR A 104 14.656 -6.172 -12.875 1.00 0.00 C ATOM 1530 C THR A 104 15.086 -7.597 -12.538 1.00 0.00 C ATOM 1531 O THR A 104 14.797 -8.523 -13.269 1.00 0.00 O ATOM 1532 CB THR A 104 15.880 -5.393 -13.315 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.535 -5.115 -12.080 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.519 -4.010 -13.820 1.00 0.00 C ATOM 0 H THR A 104 14.551 -4.656 -11.379 1.00 0.00 H new ATOM 0 HA THR A 104 13.906 -6.251 -13.662 1.00 0.00 H new ATOM 0 HB THR A 104 16.425 -5.945 -14.081 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.355 -4.607 -12.252 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.425 -3.486 -14.125 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.846 -4.098 -14.673 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.026 -3.450 -13.026 1.00 0.00 H new ATOM 1542 N ASN A 105 15.779 -7.740 -11.444 1.00 0.00 N ATOM 1543 CA ASN A 105 16.262 -9.098 -11.006 1.00 0.00 C ATOM 1544 C ASN A 105 15.613 -9.558 -9.683 1.00 0.00 C ATOM 1545 O ASN A 105 15.182 -10.689 -9.589 1.00 0.00 O ATOM 1546 CB ASN A 105 17.829 -9.036 -10.899 1.00 0.00 C ATOM 1547 CG ASN A 105 18.303 -7.717 -10.313 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.704 -7.164 -9.419 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.379 -7.161 -10.775 1.00 0.00 N ATOM 0 H ASN A 105 16.038 -6.974 -10.823 1.00 0.00 H new ATOM 0 HA ASN A 105 15.965 -9.845 -11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.184 -9.858 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.266 -9.172 -11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.704 -6.276 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.901 -7.608 -11.529 1.00 0.00 H new ATOM 1556 N GLY A 106 15.562 -8.691 -8.709 1.00 0.00 N ATOM 1557 CA GLY A 106 14.945 -9.027 -7.376 1.00 0.00 C ATOM 1558 C GLY A 106 15.745 -8.747 -6.111 1.00 0.00 C ATOM 1559 O GLY A 106 15.659 -9.536 -5.184 1.00 0.00 O ATOM 0 H GLY A 106 15.928 -7.741 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.004 -8.482 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.699 -10.089 -7.384 1.00 0.00 H new ATOM 1563 N ILE A 107 16.491 -7.663 -6.046 1.00 0.00 N ATOM 1564 CA ILE A 107 17.274 -7.395 -4.790 1.00 0.00 C ATOM 1565 C ILE A 107 16.318 -7.323 -3.565 1.00 0.00 C ATOM 1566 O ILE A 107 16.591 -7.877 -2.515 1.00 0.00 O ATOM 1567 CB ILE A 107 18.076 -6.049 -4.926 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.921 -6.009 -6.230 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.051 -5.898 -3.708 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.021 -7.103 -6.262 1.00 0.00 C ATOM 0 H ILE A 107 16.591 -6.969 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 107 17.980 -8.212 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 107 17.350 -5.236 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.262 -6.136 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.386 -5.028 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.608 -4.965 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.477 -5.887 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.748 -6.736 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.581 -7.029 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.699 -6.962 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.557 -8.087 -6.194 1.00 0.00 H new ATOM 1582 N GLY A 108 15.215 -6.642 -3.757 1.00 0.00 N ATOM 1583 CA GLY A 108 14.209 -6.498 -2.658 1.00 0.00 C ATOM 1584 C GLY A 108 13.505 -7.833 -2.424 1.00 0.00 C ATOM 1585 O GLY A 108 13.403 -8.261 -1.293 1.00 0.00 O ATOM 0 H GLY A 108 14.967 -6.178 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.701 -6.170 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.479 -5.732 -2.919 1.00 0.00 H new ATOM 1589 N TYR A 109 13.044 -8.451 -3.482 1.00 0.00 N ATOM 1590 CA TYR A 109 12.332 -9.767 -3.362 1.00 0.00 C ATOM 1591 C TYR A 109 12.906 -10.732 -2.269 1.00 0.00 C ATOM 1592 O TYR A 109 12.149 -11.255 -1.473 1.00 0.00 O ATOM 1593 CB TYR A 109 12.368 -10.398 -4.782 1.00 0.00 C ATOM 1594 CG TYR A 109 11.419 -11.615 -4.814 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.069 -11.395 -5.002 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.863 -12.915 -4.646 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.172 -12.445 -5.020 1.00 0.00 C ATOM 1598 CE2 TYR A 109 10.956 -13.966 -4.666 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.608 -13.734 -4.852 1.00 0.00 C ATOM 1600 OH TYR A 109 8.692 -14.765 -4.867 1.00 0.00 O ATOM 0 H TYR A 109 13.130 -8.099 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 109 11.314 -9.596 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.064 -9.664 -5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.383 -10.705 -5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.709 -10.386 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.915 -13.112 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.120 -12.249 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.310 -14.978 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 109 9.157 -15.618 -4.736 1.00 0.00 H new ATOM 1610 N GLN A 110 14.205 -10.927 -2.258 1.00 0.00 N ATOM 1611 CA GLN A 110 14.826 -11.846 -1.236 1.00 0.00 C ATOM 1612 C GLN A 110 14.984 -11.244 0.192 1.00 0.00 C ATOM 1613 O GLN A 110 15.194 -11.956 1.155 1.00 0.00 O ATOM 1614 CB GLN A 110 16.203 -12.276 -1.787 1.00 0.00 C ATOM 1615 CG GLN A 110 16.757 -13.428 -0.883 1.00 0.00 C ATOM 1616 CD GLN A 110 18.121 -13.945 -1.321 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.510 -15.039 -0.999 1.00 0.00 O ATOM 1618 NE2 GLN A 110 18.910 -13.220 -2.045 1.00 0.00 N ATOM 0 H GLN A 110 14.862 -10.494 -2.907 1.00 0.00 H new ATOM 0 HA GLN A 110 14.145 -12.686 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.110 -12.615 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.892 -11.431 -1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.826 -13.071 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.046 -14.255 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.619 -12.288 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.823 -13.580 -2.322 1.00 0.00 H new ATOM 1627 N GLN A 111 14.875 -9.951 0.296 1.00 0.00 N ATOM 1628 CA GLN A 111 15.013 -9.289 1.636 1.00 0.00 C ATOM 1629 C GLN A 111 13.572 -9.282 2.223 1.00 0.00 C ATOM 1630 O GLN A 111 13.336 -9.541 3.388 1.00 0.00 O ATOM 1631 CB GLN A 111 15.572 -7.843 1.402 1.00 0.00 C ATOM 1632 CG GLN A 111 16.421 -7.352 2.643 1.00 0.00 C ATOM 1633 CD GLN A 111 17.840 -7.959 2.722 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.559 -7.780 3.680 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.325 -8.685 1.768 1.00 0.00 N ATOM 0 H GLN A 111 14.697 -9.318 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 111 15.696 -9.790 2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.192 -7.830 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.745 -7.154 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.505 -6.266 2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.882 -7.598 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.767 -8.871 0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.266 -9.071 1.849 1.00 0.00 H new ATOM 1644 N GLY A 112 12.656 -8.972 1.341 1.00 0.00 N ATOM 1645 CA GLY A 112 11.188 -8.900 1.663 1.00 0.00 C ATOM 1646 C GLY A 112 10.727 -7.447 1.767 1.00 0.00 C ATOM 1647 O GLY A 112 9.595 -7.167 2.078 1.00 0.00 O ATOM 0 H GLY A 112 12.871 -8.756 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.616 -9.414 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.991 -9.417 2.602 1.00 0.00 H new ATOM 1651 N HIS A 113 11.662 -6.574 1.502 1.00 0.00 N ATOM 1652 CA HIS A 113 11.426 -5.099 1.552 1.00 0.00 C ATOM 1653 C HIS A 113 12.292 -4.324 0.551 1.00 0.00 C ATOM 1654 O HIS A 113 13.422 -4.695 0.316 1.00 0.00 O ATOM 1655 CB HIS A 113 11.734 -4.644 3.017 1.00 0.00 C ATOM 1656 CG HIS A 113 12.892 -3.647 3.109 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.935 -2.469 2.565 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.109 -3.763 3.753 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.076 -1.908 2.851 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.837 -2.681 3.585 1.00 0.00 N ATOM 0 H HIS A 113 12.614 -6.832 1.243 1.00 0.00 H new ATOM 0 HA HIS A 113 10.395 -4.885 1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 113 10.839 -4.192 3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.969 -5.521 3.621 1.00 0.00 H new ATOM 0 HD1 HIS A 113 12.194 -2.050 2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.421 -4.628 4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.361 -0.920 2.521 1.00 0.00 H new ATOM 1668 N LEU A 114 11.776 -3.282 -0.017 1.00 0.00 N ATOM 1669 CA LEU A 114 12.612 -2.486 -0.975 1.00 0.00 C ATOM 1670 C LEU A 114 12.669 -1.074 -0.368 1.00 0.00 C ATOM 1671 O LEU A 114 11.908 -0.820 0.553 1.00 0.00 O ATOM 1672 CB LEU A 114 11.924 -2.533 -2.334 1.00 0.00 C ATOM 1673 CG LEU A 114 12.743 -1.841 -3.447 1.00 0.00 C ATOM 1674 CD1 LEU A 114 14.191 -2.375 -3.502 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.064 -2.237 -4.765 1.00 0.00 C ATOM 0 H LEU A 114 10.826 -2.940 0.129 1.00 0.00 H new ATOM 0 HA LEU A 114 13.626 -2.858 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.749 -3.573 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.947 -2.055 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 114 12.779 -0.766 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 114 14.737 -1.866 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.683 -2.190 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.176 -3.447 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.595 -1.779 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.084 -3.321 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.030 -1.892 -4.760 1.00 0.00 H new ATOM 1687 N ASN A 115 13.538 -0.226 -0.859 1.00 0.00 N ATOM 1688 CA ASN A 115 13.661 1.173 -0.333 1.00 0.00 C ATOM 1689 C ASN A 115 13.405 2.025 -1.583 1.00 0.00 C ATOM 1690 O ASN A 115 14.304 2.458 -2.281 1.00 0.00 O ATOM 1691 CB ASN A 115 15.072 1.348 0.204 1.00 0.00 C ATOM 1692 CG ASN A 115 15.197 2.733 0.813 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.553 3.083 1.775 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.014 3.582 0.294 1.00 0.00 N ATOM 0 H ASN A 115 14.182 -0.448 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 115 12.982 1.435 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.288 0.586 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 115 15.799 1.222 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.102 4.516 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.573 3.321 -0.518 1.00 0.00 H new ATOM 1701 N VAL A 116 12.144 2.232 -1.822 1.00 0.00 N ATOM 1702 CA VAL A 116 11.734 3.029 -3.024 1.00 0.00 C ATOM 1703 C VAL A 116 11.414 4.494 -2.705 1.00 0.00 C ATOM 1704 O VAL A 116 11.429 4.915 -1.558 1.00 0.00 O ATOM 1705 CB VAL A 116 10.484 2.344 -3.675 1.00 0.00 C ATOM 1706 CG1 VAL A 116 10.733 0.836 -3.939 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.268 2.451 -2.732 1.00 0.00 C ATOM 0 H VAL A 116 11.377 1.889 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 116 12.581 3.044 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 116 10.297 2.857 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.845 0.394 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.580 0.720 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.949 0.333 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.405 1.972 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.495 1.956 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.043 3.501 -2.546 1.00 0.00 H new ATOM 1717 N ASN A 117 11.135 5.192 -3.781 1.00 0.00 N ATOM 1718 CA ASN A 117 10.794 6.649 -3.719 1.00 0.00 C ATOM 1719 C ASN A 117 9.518 6.948 -4.541 1.00 0.00 C ATOM 1720 O ASN A 117 9.240 6.223 -5.479 1.00 0.00 O ATOM 1721 CB ASN A 117 12.038 7.358 -4.260 1.00 0.00 C ATOM 1722 CG ASN A 117 13.196 6.945 -3.366 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.491 7.540 -2.363 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.901 5.910 -3.667 1.00 0.00 N ATOM 0 H ASN A 117 11.130 4.801 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 117 10.560 6.993 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.227 7.073 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.904 8.440 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.673 5.626 -3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.687 5.374 -4.508 1.00 0.00 H new ATOM 1731 N TYR A 118 8.772 7.976 -4.216 1.00 0.00 N ATOM 1732 CA TYR A 118 7.537 8.260 -5.023 1.00 0.00 C ATOM 1733 C TYR A 118 7.054 9.716 -4.915 1.00 0.00 C ATOM 1734 O TYR A 118 7.305 10.431 -3.957 1.00 0.00 O ATOM 1735 CB TYR A 118 6.412 7.284 -4.568 1.00 0.00 C ATOM 1736 CG TYR A 118 6.089 7.507 -3.092 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.363 8.603 -2.661 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.565 6.600 -2.174 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.127 8.781 -1.312 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.325 6.782 -0.837 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.614 7.863 -0.406 1.00 0.00 C ATOM 1742 OH TYR A 118 5.396 8.025 0.938 1.00 0.00 O ATOM 0 H TYR A 118 8.956 8.619 -3.446 1.00 0.00 H new ATOM 0 HA TYR A 118 7.787 8.107 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.518 7.441 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.728 6.253 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.982 9.317 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.130 5.742 -2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.563 9.636 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.701 6.066 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 118 5.809 7.284 1.428 1.00 0.00 H new ATOM 1752 N GLN A 119 6.354 10.102 -5.934 1.00 0.00 N ATOM 1753 CA GLN A 119 5.804 11.488 -6.014 1.00 0.00 C ATOM 1754 C GLN A 119 4.307 11.425 -6.413 1.00 0.00 C ATOM 1755 O GLN A 119 3.937 10.621 -7.250 1.00 0.00 O ATOM 1756 CB GLN A 119 6.647 12.294 -7.083 1.00 0.00 C ATOM 1757 CG GLN A 119 7.892 11.475 -7.633 1.00 0.00 C ATOM 1758 CD GLN A 119 8.992 11.187 -6.595 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.652 10.171 -6.649 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.247 12.022 -5.642 1.00 0.00 N ATOM 0 H GLN A 119 6.131 9.510 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 119 5.875 11.992 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.001 12.567 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.999 13.223 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.535 10.527 -8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.333 12.027 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.712 12.887 -5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.983 11.816 -4.967 1.00 0.00 H new ATOM 1769 N PHE A 120 3.481 12.261 -5.813 1.00 0.00 N ATOM 1770 CA PHE A 120 2.008 12.224 -6.188 1.00 0.00 C ATOM 1771 C PHE A 120 1.859 12.504 -7.715 1.00 0.00 C ATOM 1772 O PHE A 120 2.679 13.231 -8.265 1.00 0.00 O ATOM 1773 CB PHE A 120 1.228 13.300 -5.387 1.00 0.00 C ATOM 1774 CG PHE A 120 0.888 12.883 -3.944 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.869 12.560 -3.025 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.435 12.851 -3.536 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.539 12.215 -1.725 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.770 12.507 -2.241 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.216 12.191 -1.335 1.00 0.00 C ATOM 0 H PHE A 120 3.743 12.946 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 120 1.602 11.241 -5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.818 14.216 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.303 13.532 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.906 12.577 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.216 13.098 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.316 11.965 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.807 12.486 -1.939 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.045 11.925 -0.321 1.00 0.00 H new ATOM 1789 N VAL A 121 0.883 11.937 -8.369 1.00 0.00 N ATOM 1790 CA VAL A 121 0.664 12.155 -9.830 1.00 0.00 C ATOM 1791 C VAL A 121 -0.789 11.898 -10.303 1.00 0.00 C ATOM 1792 O VAL A 121 -1.671 11.488 -9.560 1.00 0.00 O ATOM 1793 CB VAL A 121 1.769 11.230 -10.490 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.257 10.127 -11.417 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.800 12.093 -11.302 1.00 0.00 C ATOM 0 H VAL A 121 0.205 11.310 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 121 0.773 13.198 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 121 2.224 10.731 -9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.101 9.560 -11.809 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.599 9.460 -10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.705 10.574 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.550 11.440 -11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.279 12.637 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.287 12.802 -10.633 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.910 12.199 -11.573 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.206 12.037 -12.313 1.00 0.00 C ATOM 1807 C ASP A 122 -2.268 10.614 -12.920 1.00 0.00 C ATOM 1808 O ASP A 122 -1.238 9.995 -13.115 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.304 13.111 -13.460 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.262 14.273 -13.159 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.660 14.462 -12.015 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.521 14.913 -14.178 1.00 0.00 O ATOM 0 H ASP A 122 -0.146 12.560 -12.144 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.040 12.178 -11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.310 13.515 -13.649 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.627 12.618 -14.377 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.447 10.128 -13.214 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.525 8.757 -13.798 1.00 0.00 C ATOM 1819 C CYS A 123 -3.438 8.742 -15.324 1.00 0.00 C ATOM 1820 O CYS A 123 -2.784 7.896 -15.914 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.825 8.159 -13.282 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.940 8.134 -11.474 1.00 0.00 S ATOM 0 H CYS A 123 -4.337 10.607 -13.079 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.665 8.162 -13.489 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.663 8.729 -13.684 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.922 7.141 -13.659 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.110 9.689 -15.898 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.194 9.890 -17.387 1.00 0.00 C ATOM 1829 C ARG A 124 -4.223 8.546 -18.161 1.00 0.00 C ATOM 1830 O ARG A 124 -3.370 8.286 -18.987 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.957 10.757 -17.787 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.243 11.653 -19.029 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.000 12.927 -18.585 1.00 0.00 C ATOM 1834 NE ARG A 124 -3.045 13.763 -17.765 1.00 0.00 N ATOM 1835 CZ ARG A 124 -2.910 15.028 -17.914 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -2.546 15.459 -19.057 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.138 15.802 -16.920 1.00 0.00 N ATOM 0 H ARG A 124 -4.642 10.381 -15.370 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.126 10.390 -17.651 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.670 11.387 -16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.111 10.104 -18.000 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -2.307 11.925 -19.517 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.835 11.102 -19.759 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -4.350 13.486 -19.453 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.880 12.665 -17.998 1.00 0.00 H new ATOM 0 HE ARG A 124 -2.479 13.296 -17.057 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.372 14.802 -19.818 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.429 16.461 -19.211 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -3.423 15.409 -16.023 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -3.034 16.811 -17.025 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.213 7.750 -17.842 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.382 6.406 -18.503 1.00 0.00 C ATOM 1853 C ASP A 125 -5.718 6.587 -20.022 1.00 0.00 C ATOM 1854 O ASP A 125 -6.454 7.521 -20.317 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.519 5.685 -17.708 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.467 4.151 -17.792 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.896 3.532 -18.755 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -5.960 3.661 -16.795 1.00 0.00 O ATOM 1859 OXT ASP A 125 -5.225 5.787 -20.808 1.00 0.00 O ATOM 0 H ASP A 125 -5.923 7.971 -17.144 1.00 0.00 H new ATOM 0 HA ASP A 125 -4.472 5.807 -18.478 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.461 5.983 -16.661 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.483 6.026 -18.084 1.00 0.00 H new TER 1864 ASP A 125