USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 903 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 17 THR OG1 : rot 122:sc= 0.553 USER MOD Set 1.2: A 18 GLN : amide:sc= -2.55! C(o=-1.6!,f=-4.4!) USER MOD Set 1.3: A 101 ASN : amide:sc= 0.425 K(o=-1.6,f=-3.8) USER MOD Set 2.1: A 91 THR OG1 : rot 170:sc= 0.245 USER MOD Set 2.2: A 94 SER OG : rot 22:sc= 0.422 USER MOD Set 3.1: A 76 SER OG : rot -56:sc= 1.89 USER MOD Set 3.2: A 78 TYR OH : rot -9:sc= 1.75 USER MOD Single : A 3 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 105:sc= -2.13! USER MOD Single : A 9 ASN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 13 THR OG1 : rot -62:sc= 0.46 USER MOD Single : A 27 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.07) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00156 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -70:sc= -5.13! USER MOD Single : A 38 THR OG1 : rot -129:sc= -1.71! USER MOD Single : A 41 GLN : amide:sc= -1.39! C(o=-1.4!,f=-3.4!) USER MOD Single : A 43 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.0064) USER MOD Single : A 44 THR OG1 : rot -149:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.1) USER MOD Single : A 51 ASN : amide:sc= 0.0527 K(o=0.053,f=-2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 119:sc= 0.522 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -26:sc= 0.284 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 139:sc= 0.0482 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00503 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0615) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 14 N TRP A 2 8.027 5.364 -2.437 1.00 0.00 N ATOM 15 CA TRP A 2 9.068 4.604 -3.182 1.00 0.00 C ATOM 16 C TRP A 2 9.540 5.422 -4.387 1.00 0.00 C ATOM 17 O TRP A 2 8.951 5.365 -5.445 1.00 0.00 O ATOM 18 CB TRP A 2 8.483 3.286 -3.701 1.00 0.00 C ATOM 19 CG TRP A 2 7.878 2.494 -2.582 1.00 0.00 C ATOM 20 CD1 TRP A 2 7.110 1.394 -2.751 1.00 0.00 C ATOM 21 CD2 TRP A 2 7.978 2.704 -1.142 1.00 0.00 C ATOM 22 NE1 TRP A 2 6.730 0.915 -1.511 1.00 0.00 N ATOM 23 CE2 TRP A 2 7.239 1.687 -0.487 1.00 0.00 C ATOM 24 CE3 TRP A 2 8.627 3.665 -0.346 1.00 0.00 C ATOM 25 CZ2 TRP A 2 7.150 1.624 0.903 1.00 0.00 C ATOM 26 CZ3 TRP A 2 8.541 3.606 1.055 1.00 0.00 C ATOM 27 CH2 TRP A 2 7.804 2.587 1.678 1.00 0.00 C ATOM 0 HA TRP A 2 9.901 4.405 -2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.726 3.492 -4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 2 9.265 2.701 -4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 2 6.837 0.960 -3.701 1.00 0.00 H new ATOM 0 HE1 TRP A 2 6.145 0.091 -1.370 1.00 0.00 H new ATOM 0 HE3 TRP A 2 9.196 4.454 -0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 6.581 0.838 1.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 9.045 4.349 1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.742 2.547 2.755 1.00 0.00 H new ATOM 38 N GLN A 3 10.603 6.170 -4.254 1.00 0.00 N ATOM 39 CA GLN A 3 11.095 6.955 -5.424 1.00 0.00 C ATOM 40 C GLN A 3 12.089 6.084 -6.202 1.00 0.00 C ATOM 41 O GLN A 3 11.748 5.463 -7.197 1.00 0.00 O ATOM 42 CB GLN A 3 11.778 8.242 -4.942 1.00 0.00 C ATOM 43 CG GLN A 3 11.409 9.398 -5.876 1.00 0.00 C ATOM 44 CD GLN A 3 12.530 9.609 -6.896 1.00 0.00 C ATOM 45 OE1 GLN A 3 13.315 10.529 -6.773 1.00 0.00 O ATOM 46 NE2 GLN A 3 12.641 8.788 -7.904 1.00 0.00 N ATOM 0 H GLN A 3 11.146 6.271 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 3 10.262 7.234 -6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.467 8.471 -3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.859 8.107 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.472 9.180 -6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.252 10.309 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.983 8.016 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.386 8.918 -8.588 1.00 0.00 H new ATOM 55 N THR A 4 13.307 5.996 -5.740 1.00 0.00 N ATOM 56 CA THR A 4 14.297 5.136 -6.435 1.00 0.00 C ATOM 57 C THR A 4 13.926 3.679 -6.162 1.00 0.00 C ATOM 58 O THR A 4 14.349 2.774 -6.852 1.00 0.00 O ATOM 59 CB THR A 4 15.700 5.422 -5.895 1.00 0.00 C ATOM 60 OG1 THR A 4 15.606 6.228 -4.727 1.00 0.00 O ATOM 61 CG2 THR A 4 16.518 6.156 -6.958 1.00 0.00 C ATOM 0 H THR A 4 13.655 6.482 -4.914 1.00 0.00 H new ATOM 0 HA THR A 4 14.290 5.337 -7.506 1.00 0.00 H new ATOM 0 HB THR A 4 16.190 4.481 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.505 6.409 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.517 6.359 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.593 5.536 -7.852 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.028 7.097 -7.209 1.00 0.00 H new ATOM 69 N TYR A 5 13.120 3.459 -5.157 1.00 0.00 N ATOM 70 CA TYR A 5 12.688 2.076 -4.821 1.00 0.00 C ATOM 71 C TYR A 5 11.643 1.625 -5.841 1.00 0.00 C ATOM 72 O TYR A 5 11.616 0.487 -6.264 1.00 0.00 O ATOM 73 CB TYR A 5 12.056 2.076 -3.425 1.00 0.00 C ATOM 74 CG TYR A 5 13.124 2.131 -2.356 1.00 0.00 C ATOM 75 CD1 TYR A 5 14.471 2.293 -2.706 1.00 0.00 C ATOM 76 CD2 TYR A 5 12.759 2.019 -1.009 1.00 0.00 C ATOM 77 CE1 TYR A 5 15.451 2.343 -1.709 1.00 0.00 C ATOM 78 CE2 TYR A 5 13.740 2.071 -0.012 1.00 0.00 C ATOM 79 CZ TYR A 5 15.085 2.232 -0.362 1.00 0.00 C ATOM 80 OH TYR A 5 16.052 2.283 0.620 1.00 0.00 O ATOM 0 H TYR A 5 12.741 4.187 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 5 13.544 1.402 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 5 11.388 2.931 -3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 5 11.450 1.180 -3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 5 14.753 2.379 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 5 11.721 1.893 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.490 2.467 -1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.459 1.987 1.027 1.00 0.00 H new ATOM 0 HH TYR A 5 15.630 2.192 1.500 1.00 0.00 H new ATOM 90 N VAL A 6 10.772 2.517 -6.224 1.00 0.00 N ATOM 91 CA VAL A 6 9.709 2.164 -7.204 1.00 0.00 C ATOM 92 C VAL A 6 10.337 1.565 -8.466 1.00 0.00 C ATOM 93 O VAL A 6 9.889 0.555 -8.972 1.00 0.00 O ATOM 94 CB VAL A 6 8.908 3.443 -7.547 1.00 0.00 C ATOM 95 CG1 VAL A 6 8.760 3.633 -9.065 1.00 0.00 C ATOM 96 CG2 VAL A 6 7.515 3.349 -6.921 1.00 0.00 C ATOM 0 H VAL A 6 10.752 3.483 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 6 9.038 1.420 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 6 9.455 4.297 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.192 4.542 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.747 3.715 -9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.236 2.777 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.947 4.248 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.996 2.476 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.608 3.256 -5.839 1.00 0.00 H new ATOM 106 N ASP A 7 11.337 2.200 -9.003 1.00 0.00 N ATOM 107 CA ASP A 7 11.943 1.679 -10.262 1.00 0.00 C ATOM 108 C ASP A 7 13.099 0.710 -9.999 1.00 0.00 C ATOM 109 O ASP A 7 14.166 0.873 -10.554 1.00 0.00 O ATOM 110 CB ASP A 7 12.469 2.851 -11.079 1.00 0.00 C ATOM 111 CG ASP A 7 12.393 2.509 -12.568 1.00 0.00 C ATOM 112 OD1 ASP A 7 11.373 1.983 -12.983 1.00 0.00 O ATOM 113 OD2 ASP A 7 13.356 2.777 -13.266 1.00 0.00 O ATOM 0 H ASP A 7 11.760 3.050 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 7 11.166 1.135 -10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.883 3.746 -10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.499 3.071 -10.798 1.00 0.00 H new ATOM 118 N THR A 8 12.922 -0.306 -9.200 1.00 0.00 N ATOM 119 CA THR A 8 14.064 -1.249 -8.996 1.00 0.00 C ATOM 120 C THR A 8 13.749 -2.353 -7.974 1.00 0.00 C ATOM 121 O THR A 8 13.358 -3.445 -8.331 1.00 0.00 O ATOM 122 CB THR A 8 15.295 -0.468 -8.528 1.00 0.00 C ATOM 123 OG1 THR A 8 14.912 0.856 -8.185 1.00 0.00 O ATOM 124 CG2 THR A 8 16.336 -0.431 -9.650 1.00 0.00 C ATOM 0 H THR A 8 12.065 -0.523 -8.692 1.00 0.00 H new ATOM 0 HA THR A 8 14.253 -1.734 -9.954 1.00 0.00 H new ATOM 0 HB THR A 8 15.726 -0.957 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.892 0.948 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.212 0.125 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.629 -1.449 -9.908 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.909 0.057 -10.526 1.00 0.00 H new ATOM 132 N ASN A 9 13.981 -2.098 -6.714 1.00 0.00 N ATOM 133 CA ASN A 9 13.769 -3.159 -5.680 1.00 0.00 C ATOM 134 C ASN A 9 12.308 -3.256 -5.231 1.00 0.00 C ATOM 135 O ASN A 9 11.538 -3.999 -5.792 1.00 0.00 O ATOM 136 CB ASN A 9 14.646 -2.850 -4.466 1.00 0.00 C ATOM 137 CG ASN A 9 16.086 -3.281 -4.750 1.00 0.00 C ATOM 138 OD1 ASN A 9 16.987 -2.465 -4.754 1.00 0.00 O ATOM 139 ND2 ASN A 9 16.343 -4.537 -4.992 1.00 0.00 N ATOM 0 H ASN A 9 14.308 -1.202 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 9 14.039 -4.116 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.612 -1.784 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.266 -3.372 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.300 -4.834 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.587 -5.222 -4.989 1.00 0.00 H new ATOM 146 N LEU A 10 11.952 -2.547 -4.188 1.00 0.00 N ATOM 147 CA LEU A 10 10.562 -2.605 -3.625 1.00 0.00 C ATOM 148 C LEU A 10 9.524 -3.058 -4.661 1.00 0.00 C ATOM 149 O LEU A 10 8.632 -3.820 -4.347 1.00 0.00 O ATOM 150 CB LEU A 10 10.179 -1.227 -3.094 1.00 0.00 C ATOM 151 CG LEU A 10 10.228 -1.241 -1.564 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.132 0.189 -1.032 1.00 0.00 C ATOM 153 CD2 LEU A 10 9.056 -2.063 -1.027 1.00 0.00 C ATOM 0 H LEU A 10 12.580 -1.915 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 10 10.563 -3.344 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.862 -0.472 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.179 -0.959 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 10 11.168 -1.685 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.167 0.175 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.967 0.776 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.193 0.637 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.089 -2.075 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.118 -1.618 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.125 -3.084 -1.403 1.00 0.00 H new ATOM 165 N VAL A 11 9.608 -2.601 -5.880 1.00 0.00 N ATOM 166 CA VAL A 11 8.593 -3.030 -6.889 1.00 0.00 C ATOM 167 C VAL A 11 9.052 -4.301 -7.604 1.00 0.00 C ATOM 168 O VAL A 11 8.359 -5.299 -7.595 1.00 0.00 O ATOM 169 CB VAL A 11 8.375 -1.917 -7.919 1.00 0.00 C ATOM 170 CG1 VAL A 11 7.490 -2.437 -9.057 1.00 0.00 C ATOM 171 CG2 VAL A 11 7.684 -0.729 -7.250 1.00 0.00 C ATOM 0 H VAL A 11 10.324 -1.958 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 11 7.657 -3.234 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 11 9.339 -1.603 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.336 -1.644 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.977 -3.285 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.527 -2.752 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.529 0.062 -7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.721 -1.046 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.308 -0.355 -6.439 1.00 0.00 H new ATOM 181 N GLY A 12 10.203 -4.279 -8.231 1.00 0.00 N ATOM 182 CA GLY A 12 10.686 -5.499 -8.947 1.00 0.00 C ATOM 183 C GLY A 12 10.370 -6.726 -8.094 1.00 0.00 C ATOM 184 O GLY A 12 9.826 -7.706 -8.561 1.00 0.00 O ATOM 0 H GLY A 12 10.826 -3.473 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.203 -5.581 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.759 -5.431 -9.128 1.00 0.00 H new ATOM 188 N THR A 13 10.689 -6.656 -6.835 1.00 0.00 N ATOM 189 CA THR A 13 10.399 -7.782 -5.911 1.00 0.00 C ATOM 190 C THR A 13 11.164 -7.564 -4.610 1.00 0.00 C ATOM 191 O THR A 13 11.645 -8.488 -3.985 1.00 0.00 O ATOM 192 CB THR A 13 10.801 -9.114 -6.538 1.00 0.00 C ATOM 193 OG1 THR A 13 11.161 -10.041 -5.523 1.00 0.00 O ATOM 194 CG2 THR A 13 11.982 -8.909 -7.488 1.00 0.00 C ATOM 0 H THR A 13 11.145 -5.854 -6.401 1.00 0.00 H new ATOM 0 HA THR A 13 9.328 -7.814 -5.710 1.00 0.00 H new ATOM 0 HB THR A 13 9.953 -9.508 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.934 -9.699 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.263 -9.864 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.698 -8.213 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 13 12.829 -8.504 -6.934 1.00 0.00 H new ATOM 202 N GLY A 14 11.242 -6.346 -4.165 1.00 0.00 N ATOM 203 CA GLY A 14 11.930 -6.078 -2.879 1.00 0.00 C ATOM 204 C GLY A 14 10.933 -6.353 -1.753 1.00 0.00 C ATOM 205 O GLY A 14 11.124 -5.950 -0.622 1.00 0.00 O ATOM 0 H GLY A 14 10.860 -5.526 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.809 -6.714 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.277 -5.046 -2.839 1.00 0.00 H new ATOM 209 N ALA A 15 9.857 -7.034 -2.072 1.00 0.00 N ATOM 210 CA ALA A 15 8.819 -7.341 -1.058 1.00 0.00 C ATOM 211 C ALA A 15 7.521 -7.619 -1.808 1.00 0.00 C ATOM 212 O ALA A 15 6.668 -8.355 -1.354 1.00 0.00 O ATOM 213 CB ALA A 15 8.630 -6.145 -0.120 1.00 0.00 C ATOM 0 H ALA A 15 9.659 -7.391 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 15 9.113 -8.201 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.866 -6.381 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.571 -5.927 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.319 -5.275 -0.698 1.00 0.00 H new ATOM 219 N VAL A 16 7.379 -7.035 -2.969 1.00 0.00 N ATOM 220 CA VAL A 16 6.156 -7.261 -3.775 1.00 0.00 C ATOM 221 C VAL A 16 6.553 -7.303 -5.251 1.00 0.00 C ATOM 222 O VAL A 16 7.546 -6.730 -5.649 1.00 0.00 O ATOM 223 CB VAL A 16 5.172 -6.117 -3.531 1.00 0.00 C ATOM 224 CG1 VAL A 16 4.675 -6.169 -2.084 1.00 0.00 C ATOM 225 CG2 VAL A 16 5.874 -4.779 -3.776 1.00 0.00 C ATOM 0 H VAL A 16 8.065 -6.409 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 16 5.681 -8.201 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 16 4.326 -6.217 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.973 -5.353 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.176 -7.121 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.522 -6.070 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.173 -3.963 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.720 -4.682 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.230 -4.738 -4.805 1.00 0.00 H new ATOM 235 N THR A 17 5.788 -7.971 -6.072 1.00 0.00 N ATOM 236 CA THR A 17 6.137 -8.041 -7.520 1.00 0.00 C ATOM 237 C THR A 17 5.608 -6.797 -8.234 1.00 0.00 C ATOM 238 O THR A 17 5.494 -6.762 -9.442 1.00 0.00 O ATOM 239 CB THR A 17 5.513 -9.292 -8.143 1.00 0.00 C ATOM 240 OG1 THR A 17 4.413 -9.717 -7.350 1.00 0.00 O ATOM 241 CG2 THR A 17 6.561 -10.404 -8.206 1.00 0.00 C ATOM 0 H THR A 17 4.939 -8.470 -5.804 1.00 0.00 H new ATOM 0 HA THR A 17 7.221 -8.089 -7.626 1.00 0.00 H new ATOM 0 HB THR A 17 5.165 -9.064 -9.151 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.600 -9.728 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.119 -11.296 -8.649 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.404 -10.076 -8.815 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.909 -10.634 -7.199 1.00 0.00 H new ATOM 249 N GLN A 18 5.291 -5.776 -7.491 1.00 0.00 N ATOM 250 CA GLN A 18 4.772 -4.526 -8.112 1.00 0.00 C ATOM 251 C GLN A 18 4.560 -3.487 -7.013 1.00 0.00 C ATOM 252 O GLN A 18 4.764 -3.763 -5.849 1.00 0.00 O ATOM 253 CB GLN A 18 3.441 -4.810 -8.813 1.00 0.00 C ATOM 254 CG GLN A 18 3.697 -5.138 -10.284 1.00 0.00 C ATOM 255 CD GLN A 18 3.192 -6.550 -10.588 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.839 -7.288 -9.691 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.145 -6.959 -11.826 1.00 0.00 N ATOM 0 H GLN A 18 5.369 -5.753 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 18 5.486 -4.153 -8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.933 -5.643 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.784 -3.944 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.191 -4.414 -10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.762 -5.066 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.442 -6.339 -12.580 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.812 -7.899 -12.040 1.00 0.00 H new ATOM 266 N ALA A 19 4.154 -2.298 -7.356 1.00 0.00 N ATOM 267 CA ALA A 19 3.944 -1.275 -6.296 1.00 0.00 C ATOM 268 C ALA A 19 3.490 0.045 -6.917 1.00 0.00 C ATOM 269 O ALA A 19 3.715 0.311 -8.081 1.00 0.00 O ATOM 270 CB ALA A 19 5.253 -1.056 -5.538 1.00 0.00 C ATOM 0 H ALA A 19 3.961 -1.993 -8.310 1.00 0.00 H new ATOM 0 HA ALA A 19 3.173 -1.627 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.102 -0.307 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.571 -1.994 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.021 -0.711 -6.230 1.00 0.00 H new ATOM 276 N ALA A 20 2.857 0.875 -6.139 1.00 0.00 N ATOM 277 CA ALA A 20 2.386 2.187 -6.660 1.00 0.00 C ATOM 278 C ALA A 20 2.292 3.173 -5.498 1.00 0.00 C ATOM 279 O ALA A 20 1.537 2.976 -4.565 1.00 0.00 O ATOM 280 CB ALA A 20 1.009 2.018 -7.304 1.00 0.00 C ATOM 0 H ALA A 20 2.644 0.700 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 20 3.085 2.562 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.665 2.980 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.077 1.305 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.303 1.649 -6.561 1.00 0.00 H new ATOM 286 N ILE A 21 3.055 4.228 -5.538 1.00 0.00 N ATOM 287 CA ILE A 21 3.005 5.220 -4.431 1.00 0.00 C ATOM 288 C ILE A 21 1.832 6.170 -4.661 1.00 0.00 C ATOM 289 O ILE A 21 1.807 6.934 -5.608 1.00 0.00 O ATOM 290 CB ILE A 21 4.323 5.992 -4.391 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.480 5.015 -4.618 1.00 0.00 C ATOM 292 CG2 ILE A 21 4.483 6.660 -3.024 1.00 0.00 C ATOM 293 CD1 ILE A 21 5.316 3.801 -3.696 1.00 0.00 C ATOM 0 H ILE A 21 3.710 4.446 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 21 2.864 4.714 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 21 4.326 6.756 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.499 4.694 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.431 5.509 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.423 7.211 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.654 7.348 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.485 5.898 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.140 3.107 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.319 4.130 -2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.372 3.302 -3.916 1.00 0.00 H new ATOM 305 N LEU A 22 0.850 6.111 -3.807 1.00 0.00 N ATOM 306 CA LEU A 22 -0.344 6.984 -3.967 1.00 0.00 C ATOM 307 C LEU A 22 -0.187 8.233 -3.094 1.00 0.00 C ATOM 308 O LEU A 22 -0.117 8.153 -1.884 1.00 0.00 O ATOM 309 CB LEU A 22 -1.588 6.196 -3.532 1.00 0.00 C ATOM 310 CG LEU A 22 -1.997 5.177 -4.616 1.00 0.00 C ATOM 311 CD1 LEU A 22 -0.779 4.710 -5.422 1.00 0.00 C ATOM 312 CD2 LEU A 22 -2.649 3.962 -3.950 1.00 0.00 C ATOM 0 H LEU A 22 0.824 5.490 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.447 7.292 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.386 5.676 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.412 6.884 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.699 5.662 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.097 3.993 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.314 5.568 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.060 4.237 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.939 3.240 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.940 3.499 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.533 4.281 -3.398 1.00 0.00 H new ATOM 324 N GLY A 23 -0.133 9.388 -3.703 1.00 0.00 N ATOM 325 CA GLY A 23 0.020 10.642 -2.912 1.00 0.00 C ATOM 326 C GLY A 23 -1.026 10.676 -1.796 1.00 0.00 C ATOM 327 O GLY A 23 -1.820 9.768 -1.650 1.00 0.00 O ATOM 0 H GLY A 23 -0.188 9.516 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.022 10.696 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.098 11.510 -3.561 1.00 0.00 H new ATOM 331 N LEU A 24 -1.032 11.713 -1.003 1.00 0.00 N ATOM 332 CA LEU A 24 -2.027 11.796 0.102 1.00 0.00 C ATOM 333 C LEU A 24 -2.876 13.060 -0.063 1.00 0.00 C ATOM 334 O LEU A 24 -3.856 13.253 0.627 1.00 0.00 O ATOM 335 CB LEU A 24 -1.293 11.841 1.445 1.00 0.00 C ATOM 336 CG LEU A 24 -0.472 13.128 1.542 1.00 0.00 C ATOM 337 CD1 LEU A 24 -0.367 13.557 3.008 1.00 0.00 C ATOM 338 CD2 LEU A 24 0.931 12.875 0.985 1.00 0.00 C ATOM 0 H LEU A 24 -0.392 12.504 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.676 10.921 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.011 11.794 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.640 10.974 1.543 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.958 13.916 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.218 14.474 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.366 13.732 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.122 12.770 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.520 13.790 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.416 12.088 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.858 12.566 -0.058 1.00 0.00 H new ATOM 350 N ASP A 25 -2.509 13.921 -0.972 1.00 0.00 N ATOM 351 CA ASP A 25 -3.298 15.169 -1.175 1.00 0.00 C ATOM 352 C ASP A 25 -3.999 15.116 -2.535 1.00 0.00 C ATOM 353 O ASP A 25 -4.284 16.132 -3.136 1.00 0.00 O ATOM 354 CB ASP A 25 -2.362 16.378 -1.132 1.00 0.00 C ATOM 355 CG ASP A 25 -3.056 17.535 -0.411 1.00 0.00 C ATOM 356 OD1 ASP A 25 -3.620 17.298 0.643 1.00 0.00 O ATOM 357 OD2 ASP A 25 -3.011 18.640 -0.927 1.00 0.00 O ATOM 0 H ASP A 25 -1.698 13.815 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.044 15.258 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.437 16.117 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.090 16.677 -2.144 1.00 0.00 H new ATOM 362 N GLY A 26 -4.280 13.940 -3.023 1.00 0.00 N ATOM 363 CA GLY A 26 -4.965 13.823 -4.342 1.00 0.00 C ATOM 364 C GLY A 26 -3.953 14.049 -5.467 1.00 0.00 C ATOM 365 O GLY A 26 -3.984 15.053 -6.151 1.00 0.00 O ATOM 0 H GLY A 26 -4.065 13.054 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.420 12.837 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.770 14.554 -4.411 1.00 0.00 H new ATOM 369 N ASN A 27 -3.056 13.122 -5.666 1.00 0.00 N ATOM 370 CA ASN A 27 -2.046 13.283 -6.748 1.00 0.00 C ATOM 371 C ASN A 27 -1.258 11.981 -6.903 1.00 0.00 C ATOM 372 O ASN A 27 -1.654 10.944 -6.411 1.00 0.00 O ATOM 373 CB ASN A 27 -1.089 14.421 -6.387 1.00 0.00 C ATOM 374 CG ASN A 27 -0.809 15.270 -7.630 1.00 0.00 C ATOM 375 OD1 ASN A 27 0.332 15.493 -7.983 1.00 0.00 O ATOM 376 ND2 ASN A 27 -1.810 15.755 -8.315 1.00 0.00 N ATOM 0 H ASN A 27 -2.980 12.260 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.549 13.518 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.523 15.040 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.157 14.015 -5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.633 16.320 -9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.768 15.568 -8.019 1.00 0.00 H new ATOM 383 N THR A 28 -0.145 12.024 -7.584 1.00 0.00 N ATOM 384 CA THR A 28 0.660 10.785 -7.767 1.00 0.00 C ATOM 385 C THR A 28 2.146 11.108 -7.591 1.00 0.00 C ATOM 386 O THR A 28 2.745 11.784 -8.405 1.00 0.00 O ATOM 387 CB THR A 28 0.424 10.230 -9.173 1.00 0.00 C ATOM 388 OG1 THR A 28 -0.887 10.569 -9.600 1.00 0.00 O ATOM 389 CG2 THR A 28 0.582 8.709 -9.158 1.00 0.00 C ATOM 0 H THR A 28 0.240 12.862 -8.020 1.00 0.00 H new ATOM 0 HA THR A 28 0.360 10.044 -7.026 1.00 0.00 H new ATOM 0 HB THR A 28 1.153 10.660 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.039 10.215 -10.501 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.413 8.316 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.590 8.451 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.144 8.275 -8.471 1.00 0.00 H new ATOM 397 N TRP A 29 2.747 10.628 -6.536 1.00 0.00 N ATOM 398 CA TRP A 29 4.195 10.905 -6.311 1.00 0.00 C ATOM 399 C TRP A 29 5.034 9.896 -7.097 1.00 0.00 C ATOM 400 O TRP A 29 6.106 10.207 -7.577 1.00 0.00 O ATOM 401 CB TRP A 29 4.515 10.784 -4.821 1.00 0.00 C ATOM 402 CG TRP A 29 4.012 11.996 -4.103 1.00 0.00 C ATOM 403 CD1 TRP A 29 3.178 12.921 -4.632 1.00 0.00 C ATOM 404 CD2 TRP A 29 4.296 12.432 -2.740 1.00 0.00 C ATOM 405 NE1 TRP A 29 2.932 13.896 -3.683 1.00 0.00 N ATOM 406 CE2 TRP A 29 3.598 13.639 -2.501 1.00 0.00 C ATOM 407 CE3 TRP A 29 5.082 11.903 -1.699 1.00 0.00 C ATOM 408 CZ2 TRP A 29 3.677 14.300 -1.274 1.00 0.00 C ATOM 409 CZ3 TRP A 29 5.163 12.565 -0.462 1.00 0.00 C ATOM 410 CH2 TRP A 29 4.462 13.761 -0.251 1.00 0.00 C ATOM 0 H TRP A 29 2.298 10.056 -5.820 1.00 0.00 H new ATOM 0 HA TRP A 29 4.428 11.915 -6.649 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.052 9.887 -4.410 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.591 10.683 -4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.771 12.901 -5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.332 14.706 -3.837 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.626 10.983 -1.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.136 15.221 -1.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.768 12.150 0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.529 14.265 0.702 1.00 0.00 H new ATOM 421 N ALA A 30 4.556 8.689 -7.231 1.00 0.00 N ATOM 422 CA ALA A 30 5.330 7.662 -7.988 1.00 0.00 C ATOM 423 C ALA A 30 4.418 6.483 -8.321 1.00 0.00 C ATOM 424 O ALA A 30 3.400 6.276 -7.690 1.00 0.00 O ATOM 425 CB ALA A 30 6.503 7.175 -7.135 1.00 0.00 C ATOM 0 H ALA A 30 3.665 8.369 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 30 5.710 8.100 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.068 6.425 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.153 8.016 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.124 6.736 -6.212 1.00 0.00 H new ATOM 431 N THR A 31 4.771 5.705 -9.307 1.00 0.00 N ATOM 432 CA THR A 31 3.919 4.542 -9.677 1.00 0.00 C ATOM 433 C THR A 31 4.781 3.448 -10.308 1.00 0.00 C ATOM 434 O THR A 31 5.695 3.721 -11.061 1.00 0.00 O ATOM 435 CB THR A 31 2.855 4.993 -10.682 1.00 0.00 C ATOM 436 OG1 THR A 31 2.091 3.869 -11.097 1.00 0.00 O ATOM 437 CG2 THR A 31 3.536 5.629 -11.896 1.00 0.00 C ATOM 0 H THR A 31 5.612 5.825 -9.872 1.00 0.00 H new ATOM 0 HA THR A 31 3.437 4.149 -8.782 1.00 0.00 H new ATOM 0 HB THR A 31 2.197 5.725 -10.213 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.409 4.156 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.779 5.950 -12.611 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.121 6.491 -11.575 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.194 4.899 -12.368 1.00 0.00 H new ATOM 445 N SER A 32 4.493 2.211 -10.009 1.00 0.00 N ATOM 446 CA SER A 32 5.290 1.095 -10.594 1.00 0.00 C ATOM 447 C SER A 32 4.335 0.060 -11.189 1.00 0.00 C ATOM 448 O SER A 32 3.508 -0.501 -10.497 1.00 0.00 O ATOM 449 CB SER A 32 6.140 0.443 -9.502 1.00 0.00 C ATOM 450 OG SER A 32 7.500 0.820 -9.681 1.00 0.00 O ATOM 0 H SER A 32 3.739 1.924 -9.384 1.00 0.00 H new ATOM 0 HA SER A 32 5.947 1.481 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.790 0.754 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.042 -0.642 -9.547 1.00 0.00 H new ATOM 0 HG SER A 32 7.857 0.386 -10.484 1.00 0.00 H new ATOM 456 N ALA A 33 4.440 -0.189 -12.470 1.00 0.00 N ATOM 457 CA ALA A 33 3.537 -1.181 -13.126 1.00 0.00 C ATOM 458 C ALA A 33 2.197 -0.514 -13.446 1.00 0.00 C ATOM 459 O ALA A 33 1.843 0.495 -12.868 1.00 0.00 O ATOM 460 CB ALA A 33 3.311 -2.374 -12.196 1.00 0.00 C ATOM 0 H ALA A 33 5.116 0.255 -13.092 1.00 0.00 H new ATOM 0 HA ALA A 33 3.998 -1.533 -14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.651 -3.094 -12.681 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.267 -2.849 -11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.854 -2.031 -11.268 1.00 0.00 H new ATOM 466 N GLY A 34 1.452 -1.065 -14.365 1.00 0.00 N ATOM 467 CA GLY A 34 0.137 -0.459 -14.725 1.00 0.00 C ATOM 468 C GLY A 34 -0.606 -0.046 -13.453 1.00 0.00 C ATOM 469 O GLY A 34 -0.425 1.041 -12.942 1.00 0.00 O ATOM 0 H GLY A 34 1.697 -1.909 -14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.289 0.409 -15.367 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.461 -1.173 -15.291 1.00 0.00 H new ATOM 473 N PHE A 35 -1.443 -0.905 -12.939 1.00 0.00 N ATOM 474 CA PHE A 35 -2.198 -0.563 -11.701 1.00 0.00 C ATOM 475 C PHE A 35 -3.213 0.539 -12.009 1.00 0.00 C ATOM 476 O PHE A 35 -2.899 1.712 -11.980 1.00 0.00 O ATOM 477 CB PHE A 35 -1.224 -0.073 -10.627 1.00 0.00 C ATOM 478 CG PHE A 35 -1.646 -0.622 -9.287 1.00 0.00 C ATOM 479 CD1 PHE A 35 -1.700 -2.006 -9.087 1.00 0.00 C ATOM 480 CD2 PHE A 35 -1.985 0.251 -8.245 1.00 0.00 C ATOM 481 CE1 PHE A 35 -2.095 -2.519 -7.846 1.00 0.00 C ATOM 482 CE2 PHE A 35 -2.378 -0.263 -7.004 1.00 0.00 C ATOM 483 CZ PHE A 35 -2.434 -1.647 -6.805 1.00 0.00 C ATOM 0 H PHE A 35 -1.637 -1.830 -13.323 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.721 -1.448 -11.340 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.210 -0.397 -10.863 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.212 1.017 -10.600 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.437 -2.678 -9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.943 1.319 -8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.138 -3.587 -7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.638 0.409 -6.199 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.739 -2.043 -5.847 1.00 0.00 H new ATOM 493 N ALA A 36 -4.432 0.170 -12.300 1.00 0.00 N ATOM 494 CA ALA A 36 -5.467 1.197 -12.604 1.00 0.00 C ATOM 495 C ALA A 36 -6.375 1.379 -11.386 1.00 0.00 C ATOM 496 O ALA A 36 -7.271 0.594 -11.146 1.00 0.00 O ATOM 497 CB ALA A 36 -6.302 0.741 -13.802 1.00 0.00 C ATOM 0 H ALA A 36 -4.754 -0.797 -12.340 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.982 2.144 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.060 1.492 -14.025 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.654 0.611 -14.669 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.788 -0.206 -13.567 1.00 0.00 H new ATOM 503 N VAL A 37 -6.150 2.407 -10.615 1.00 0.00 N ATOM 504 CA VAL A 37 -6.999 2.634 -9.411 1.00 0.00 C ATOM 505 C VAL A 37 -7.898 3.851 -9.641 1.00 0.00 C ATOM 506 O VAL A 37 -7.695 4.621 -10.558 1.00 0.00 O ATOM 507 CB VAL A 37 -6.106 2.881 -8.195 1.00 0.00 C ATOM 508 CG1 VAL A 37 -6.860 2.485 -6.924 1.00 0.00 C ATOM 509 CG2 VAL A 37 -4.836 2.035 -8.316 1.00 0.00 C ATOM 0 H VAL A 37 -5.416 3.099 -10.766 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.618 1.755 -9.233 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.838 3.936 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.226 2.660 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.767 3.083 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.125 1.429 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.198 2.210 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.105 0.980 -8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.299 2.312 -9.223 1.00 0.00 H new ATOM 519 N THR A 38 -8.891 4.028 -8.812 1.00 0.00 N ATOM 520 CA THR A 38 -9.806 5.194 -8.981 1.00 0.00 C ATOM 521 C THR A 38 -8.980 6.478 -9.122 1.00 0.00 C ATOM 522 O THR A 38 -7.870 6.555 -8.635 1.00 0.00 O ATOM 523 CB THR A 38 -10.721 5.303 -7.756 1.00 0.00 C ATOM 524 OG1 THR A 38 -11.171 6.644 -7.620 1.00 0.00 O ATOM 525 CG2 THR A 38 -9.952 4.891 -6.499 1.00 0.00 C ATOM 0 H THR A 38 -9.108 3.416 -8.025 1.00 0.00 H new ATOM 0 HA THR A 38 -10.412 5.055 -9.876 1.00 0.00 H new ATOM 0 HB THR A 38 -11.578 4.642 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.010 6.952 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.606 4.970 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.609 3.861 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.092 5.548 -6.367 1.00 0.00 H new ATOM 533 N PRO A 39 -9.550 7.451 -9.788 1.00 0.00 N ATOM 534 CA PRO A 39 -8.882 8.747 -10.010 1.00 0.00 C ATOM 535 C PRO A 39 -8.535 9.407 -8.670 1.00 0.00 C ATOM 536 O PRO A 39 -7.740 10.324 -8.607 1.00 0.00 O ATOM 537 CB PRO A 39 -9.908 9.590 -10.778 1.00 0.00 C ATOM 538 CG PRO A 39 -11.160 8.707 -11.018 1.00 0.00 C ATOM 539 CD PRO A 39 -10.899 7.338 -10.372 1.00 0.00 C ATOM 0 HA PRO A 39 -7.946 8.641 -10.558 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.172 10.482 -10.210 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.491 9.929 -11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.045 9.172 -10.583 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.350 8.596 -12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.643 7.112 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.945 6.537 -11.110 1.00 0.00 H new ATOM 547 N ALA A 40 -9.126 8.950 -7.601 1.00 0.00 N ATOM 548 CA ALA A 40 -8.831 9.550 -6.267 1.00 0.00 C ATOM 549 C ALA A 40 -8.320 8.459 -5.317 1.00 0.00 C ATOM 550 O ALA A 40 -8.881 8.238 -4.263 1.00 0.00 O ATOM 551 CB ALA A 40 -10.113 10.160 -5.695 1.00 0.00 C ATOM 0 H ALA A 40 -9.802 8.186 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.071 10.324 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.903 10.600 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.481 10.933 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.869 9.382 -5.587 1.00 0.00 H new ATOM 557 N GLN A 41 -7.264 7.772 -5.677 1.00 0.00 N ATOM 558 CA GLN A 41 -6.736 6.703 -4.782 1.00 0.00 C ATOM 559 C GLN A 41 -6.540 7.272 -3.379 1.00 0.00 C ATOM 560 O GLN A 41 -6.763 6.605 -2.388 1.00 0.00 O ATOM 561 CB GLN A 41 -5.385 6.201 -5.311 1.00 0.00 C ATOM 562 CG GLN A 41 -5.413 6.139 -6.841 1.00 0.00 C ATOM 563 CD GLN A 41 -4.732 7.383 -7.415 1.00 0.00 C ATOM 564 OE1 GLN A 41 -3.874 7.968 -6.784 1.00 0.00 O ATOM 565 NE2 GLN A 41 -5.081 7.818 -8.596 1.00 0.00 N ATOM 0 H GLN A 41 -6.749 7.906 -6.547 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.445 5.876 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.586 6.865 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.169 5.214 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.904 5.240 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.442 6.079 -7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.801 7.329 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.634 8.647 -8.987 1.00 0.00 H new ATOM 574 N GLY A 42 -6.116 8.501 -3.290 1.00 0.00 N ATOM 575 CA GLY A 42 -5.891 9.122 -1.953 1.00 0.00 C ATOM 576 C GLY A 42 -7.231 9.372 -1.253 1.00 0.00 C ATOM 577 O GLY A 42 -7.361 9.188 -0.059 1.00 0.00 O ATOM 0 H GLY A 42 -5.915 9.105 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.269 8.469 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.351 10.062 -2.067 1.00 0.00 H new ATOM 581 N GLN A 43 -8.224 9.798 -1.982 1.00 0.00 N ATOM 582 CA GLN A 43 -9.549 10.067 -1.351 1.00 0.00 C ATOM 583 C GLN A 43 -10.130 8.771 -0.778 1.00 0.00 C ATOM 584 O GLN A 43 -10.755 8.769 0.264 1.00 0.00 O ATOM 585 CB GLN A 43 -10.505 10.633 -2.402 1.00 0.00 C ATOM 586 CG GLN A 43 -11.646 11.372 -1.702 1.00 0.00 C ATOM 587 CD GLN A 43 -12.892 10.488 -1.689 1.00 0.00 C ATOM 588 OE1 GLN A 43 -13.518 10.284 -2.709 1.00 0.00 O ATOM 589 NE2 GLN A 43 -13.280 9.946 -0.566 1.00 0.00 N ATOM 0 H GLN A 43 -8.177 9.972 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.421 10.788 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.971 11.311 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.903 9.828 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.357 11.627 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.857 12.309 -2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.754 10.117 0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.109 9.352 -0.546 1.00 0.00 H new ATOM 598 N THR A 44 -9.937 7.671 -1.452 1.00 0.00 N ATOM 599 CA THR A 44 -10.489 6.381 -0.944 1.00 0.00 C ATOM 600 C THR A 44 -9.853 6.045 0.408 1.00 0.00 C ATOM 601 O THR A 44 -10.536 5.765 1.373 1.00 0.00 O ATOM 602 CB THR A 44 -10.183 5.264 -1.946 1.00 0.00 C ATOM 603 OG1 THR A 44 -10.920 5.486 -3.142 1.00 0.00 O ATOM 604 CG2 THR A 44 -10.578 3.917 -1.342 1.00 0.00 C ATOM 0 H THR A 44 -9.422 7.608 -2.330 1.00 0.00 H new ATOM 0 HA THR A 44 -11.568 6.473 -0.821 1.00 0.00 H new ATOM 0 HB THR A 44 -9.117 5.260 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.136 4.625 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.361 3.121 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.012 3.749 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.644 3.919 -1.114 1.00 0.00 H new ATOM 612 N LEU A 45 -8.552 6.064 0.484 1.00 0.00 N ATOM 613 CA LEU A 45 -7.876 5.740 1.771 1.00 0.00 C ATOM 614 C LEU A 45 -8.207 6.811 2.813 1.00 0.00 C ATOM 615 O LEU A 45 -8.135 6.575 4.003 1.00 0.00 O ATOM 616 CB LEU A 45 -6.366 5.696 1.547 1.00 0.00 C ATOM 617 CG LEU A 45 -5.899 4.242 1.505 1.00 0.00 C ATOM 618 CD1 LEU A 45 -6.233 3.640 0.139 1.00 0.00 C ATOM 619 CD2 LEU A 45 -4.387 4.188 1.732 1.00 0.00 C ATOM 0 H LEU A 45 -7.927 6.290 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.223 4.771 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.111 6.198 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.853 6.231 2.347 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.404 3.673 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.900 2.602 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.310 3.681 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.727 4.207 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.051 3.151 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.881 4.756 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.150 4.619 2.705 1.00 0.00 H new ATOM 631 N ALA A 46 -8.566 7.987 2.378 1.00 0.00 N ATOM 632 CA ALA A 46 -8.898 9.072 3.345 1.00 0.00 C ATOM 633 C ALA A 46 -10.116 8.665 4.178 1.00 0.00 C ATOM 634 O ALA A 46 -10.199 8.955 5.354 1.00 0.00 O ATOM 635 CB ALA A 46 -9.211 10.358 2.577 1.00 0.00 C ATOM 0 H ALA A 46 -8.644 8.244 1.394 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.049 9.239 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.454 11.153 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.342 10.650 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.060 10.189 1.914 1.00 0.00 H new ATOM 641 N SER A 47 -11.062 7.997 3.576 1.00 0.00 N ATOM 642 CA SER A 47 -12.274 7.576 4.335 1.00 0.00 C ATOM 643 C SER A 47 -11.937 6.365 5.206 1.00 0.00 C ATOM 644 O SER A 47 -12.534 6.150 6.243 1.00 0.00 O ATOM 645 CB SER A 47 -13.383 7.201 3.354 1.00 0.00 C ATOM 646 OG SER A 47 -14.162 8.354 3.063 1.00 0.00 O ATOM 0 H SER A 47 -11.048 7.725 2.593 1.00 0.00 H new ATOM 0 HA SER A 47 -12.608 8.398 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.953 6.798 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.013 6.420 3.780 1.00 0.00 H new ATOM 0 HG SER A 47 -14.874 8.117 2.432 1.00 0.00 H new ATOM 652 N ALA A 48 -10.988 5.570 4.794 1.00 0.00 N ATOM 653 CA ALA A 48 -10.619 4.372 5.599 1.00 0.00 C ATOM 654 C ALA A 48 -9.910 4.815 6.881 1.00 0.00 C ATOM 655 O ALA A 48 -9.746 4.046 7.808 1.00 0.00 O ATOM 656 CB ALA A 48 -9.685 3.478 4.782 1.00 0.00 C ATOM 0 H ALA A 48 -10.453 5.698 3.935 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.521 3.817 5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.414 2.601 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.190 3.161 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.784 4.034 4.523 1.00 0.00 H new ATOM 662 N PHE A 49 -9.490 6.049 6.944 1.00 0.00 N ATOM 663 CA PHE A 49 -8.795 6.536 8.168 1.00 0.00 C ATOM 664 C PHE A 49 -9.825 6.790 9.270 1.00 0.00 C ATOM 665 O PHE A 49 -9.596 6.496 10.426 1.00 0.00 O ATOM 666 CB PHE A 49 -8.051 7.836 7.848 1.00 0.00 C ATOM 667 CG PHE A 49 -7.001 7.570 6.796 1.00 0.00 C ATOM 668 CD1 PHE A 49 -6.284 6.368 6.812 1.00 0.00 C ATOM 669 CD2 PHE A 49 -6.744 8.525 5.804 1.00 0.00 C ATOM 670 CE1 PHE A 49 -5.311 6.120 5.837 1.00 0.00 C ATOM 671 CE2 PHE A 49 -5.771 8.276 4.828 1.00 0.00 C ATOM 672 CZ PHE A 49 -5.054 7.073 4.845 1.00 0.00 C ATOM 0 H PHE A 49 -9.598 6.740 6.201 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.081 5.785 8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.753 8.591 7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.585 8.232 8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.482 5.632 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.296 9.453 5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.758 5.192 5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.574 9.012 4.062 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.303 6.881 4.093 1.00 0.00 H new ATOM 682 N ASN A 50 -10.962 7.328 8.920 1.00 0.00 N ATOM 683 CA ASN A 50 -12.009 7.592 9.947 1.00 0.00 C ATOM 684 C ASN A 50 -12.876 6.342 10.112 1.00 0.00 C ATOM 685 O ASN A 50 -12.868 5.699 11.143 1.00 0.00 O ATOM 686 CB ASN A 50 -12.882 8.765 9.495 1.00 0.00 C ATOM 687 CG ASN A 50 -12.038 10.040 9.438 1.00 0.00 C ATOM 688 OD1 ASN A 50 -11.112 10.204 10.208 1.00 0.00 O ATOM 689 ND2 ASN A 50 -12.318 10.957 8.553 1.00 0.00 N ATOM 0 H ASN A 50 -11.211 7.596 7.968 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.538 7.839 10.898 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.310 8.556 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.715 8.899 10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.760 11.810 8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.095 10.821 7.906 1.00 0.00 H new ATOM 696 N ASN A 51 -13.621 5.992 9.099 1.00 0.00 N ATOM 697 CA ASN A 51 -14.485 4.780 9.188 1.00 0.00 C ATOM 698 C ASN A 51 -14.029 3.762 8.142 1.00 0.00 C ATOM 699 O ASN A 51 -13.678 4.115 7.033 1.00 0.00 O ATOM 700 CB ASN A 51 -15.941 5.167 8.922 1.00 0.00 C ATOM 701 CG ASN A 51 -16.082 5.651 7.478 1.00 0.00 C ATOM 702 OD1 ASN A 51 -15.535 6.672 7.111 1.00 0.00 O ATOM 703 ND2 ASN A 51 -16.797 4.956 6.637 1.00 0.00 N ATOM 0 H ASN A 51 -13.669 6.494 8.212 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.405 4.346 10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.594 4.312 9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.252 5.951 9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.897 5.270 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.256 4.099 6.945 1.00 0.00 H new ATOM 710 N ALA A 52 -14.028 2.504 8.481 1.00 0.00 N ATOM 711 CA ALA A 52 -13.589 1.473 7.500 1.00 0.00 C ATOM 712 C ALA A 52 -14.558 0.286 7.527 1.00 0.00 C ATOM 713 O ALA A 52 -14.170 -0.848 7.329 1.00 0.00 O ATOM 714 CB ALA A 52 -12.182 0.994 7.862 1.00 0.00 C ATOM 0 H ALA A 52 -14.311 2.145 9.393 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.581 1.906 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.859 0.239 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.492 1.838 7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.191 0.563 8.863 1.00 0.00 H new ATOM 720 N ASP A 53 -15.815 0.542 7.766 1.00 0.00 N ATOM 721 CA ASP A 53 -16.811 -0.564 7.800 1.00 0.00 C ATOM 722 C ASP A 53 -17.004 -1.164 6.396 1.00 0.00 C ATOM 723 O ASP A 53 -17.033 -2.371 6.253 1.00 0.00 O ATOM 724 CB ASP A 53 -18.152 -0.036 8.318 1.00 0.00 C ATOM 725 CG ASP A 53 -18.122 0.027 9.846 1.00 0.00 C ATOM 726 OD1 ASP A 53 -17.270 0.724 10.372 1.00 0.00 O ATOM 727 OD2 ASP A 53 -18.949 -0.623 10.464 1.00 0.00 O ATOM 0 H ASP A 53 -16.195 1.472 7.940 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.440 -1.343 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.348 0.954 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -18.963 -0.685 7.986 1.00 0.00 H new ATOM 732 N PRO A 54 -17.140 -0.320 5.394 1.00 0.00 N ATOM 733 CA PRO A 54 -17.342 -0.791 4.011 1.00 0.00 C ATOM 734 C PRO A 54 -16.166 -1.665 3.562 1.00 0.00 C ATOM 735 O PRO A 54 -16.274 -2.422 2.618 1.00 0.00 O ATOM 736 CB PRO A 54 -17.430 0.486 3.164 1.00 0.00 C ATOM 737 CG PRO A 54 -17.333 1.695 4.125 1.00 0.00 C ATOM 738 CD PRO A 54 -17.106 1.150 5.544 1.00 0.00 C ATOM 0 HA PRO A 54 -18.237 -1.405 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.624 0.515 2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -18.368 0.513 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.513 2.351 3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.246 2.289 4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.150 1.484 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.880 1.496 6.229 1.00 0.00 H new ATOM 746 N ILE A 55 -15.048 -1.574 4.230 1.00 0.00 N ATOM 747 CA ILE A 55 -13.880 -2.411 3.834 1.00 0.00 C ATOM 748 C ILE A 55 -13.706 -3.546 4.851 1.00 0.00 C ATOM 749 O ILE A 55 -13.061 -4.541 4.587 1.00 0.00 O ATOM 750 CB ILE A 55 -12.613 -1.537 3.780 1.00 0.00 C ATOM 751 CG1 ILE A 55 -11.939 -1.476 5.153 1.00 0.00 C ATOM 752 CG2 ILE A 55 -12.987 -0.117 3.360 1.00 0.00 C ATOM 753 CD1 ILE A 55 -10.780 -0.480 5.098 1.00 0.00 C ATOM 0 H ILE A 55 -14.893 -0.959 5.029 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.048 -2.841 2.847 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.925 -1.978 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.660 -1.173 5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.573 -2.463 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.089 0.500 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -13.453 -0.140 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.686 0.304 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.295 -0.432 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.057 -0.804 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.160 0.506 4.832 1.00 0.00 H new ATOM 765 N ARG A 56 -14.278 -3.396 6.015 1.00 0.00 N ATOM 766 CA ARG A 56 -14.150 -4.453 7.056 1.00 0.00 C ATOM 767 C ARG A 56 -15.081 -5.621 6.721 1.00 0.00 C ATOM 768 O ARG A 56 -14.748 -6.771 6.927 1.00 0.00 O ATOM 769 CB ARG A 56 -14.538 -3.867 8.416 1.00 0.00 C ATOM 770 CG ARG A 56 -13.626 -4.436 9.504 1.00 0.00 C ATOM 771 CD ARG A 56 -14.275 -4.225 10.872 1.00 0.00 C ATOM 772 NE ARG A 56 -13.337 -3.474 11.764 1.00 0.00 N ATOM 773 CZ ARG A 56 -12.087 -3.840 11.897 1.00 0.00 C ATOM 774 NH1 ARG A 56 -11.668 -4.978 11.409 1.00 0.00 N ATOM 775 NH2 ARG A 56 -11.264 -3.090 12.577 1.00 0.00 N ATOM 0 H ARG A 56 -14.830 -2.584 6.290 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.121 -4.811 7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.456 -2.780 8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.578 -4.103 8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.454 -5.498 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.653 -3.946 9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.208 -3.672 10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.525 -5.187 11.319 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.678 -2.662 12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.317 -5.592 10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.692 -5.252 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.596 -2.224 13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.289 -3.370 12.684 1.00 0.00 H new ATOM 789 N ALA A 57 -16.247 -5.336 6.207 1.00 0.00 N ATOM 790 CA ALA A 57 -17.200 -6.430 5.864 1.00 0.00 C ATOM 791 C ALA A 57 -16.452 -7.566 5.162 1.00 0.00 C ATOM 792 O ALA A 57 -16.255 -8.629 5.719 1.00 0.00 O ATOM 793 CB ALA A 57 -18.288 -5.889 4.933 1.00 0.00 C ATOM 0 H ALA A 57 -16.581 -4.393 6.010 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.656 -6.807 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.984 -6.690 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.826 -5.083 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.830 -5.509 4.020 1.00 0.00 H new ATOM 799 N SER A 58 -16.037 -7.355 3.943 1.00 0.00 N ATOM 800 CA SER A 58 -15.307 -8.429 3.211 1.00 0.00 C ATOM 801 C SER A 58 -13.901 -7.944 2.855 1.00 0.00 C ATOM 802 O SER A 58 -12.926 -8.639 3.059 1.00 0.00 O ATOM 803 CB SER A 58 -16.066 -8.778 1.930 1.00 0.00 C ATOM 804 OG SER A 58 -15.153 -9.294 0.971 1.00 0.00 O ATOM 0 H SER A 58 -16.171 -6.488 3.423 1.00 0.00 H new ATOM 0 HA SER A 58 -15.234 -9.313 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.843 -9.513 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.564 -7.892 1.536 1.00 0.00 H new ATOM 0 HG SER A 58 -15.636 -9.520 0.149 1.00 0.00 H new ATOM 810 N GLY A 59 -13.787 -6.759 2.324 1.00 0.00 N ATOM 811 CA GLY A 59 -12.439 -6.238 1.957 1.00 0.00 C ATOM 812 C GLY A 59 -12.587 -5.012 1.053 1.00 0.00 C ATOM 813 O GLY A 59 -13.643 -4.416 0.967 1.00 0.00 O ATOM 0 H GLY A 59 -14.566 -6.130 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.884 -5.973 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.867 -7.012 1.445 1.00 0.00 H new ATOM 817 N PHE A 60 -11.538 -4.632 0.376 1.00 0.00 N ATOM 818 CA PHE A 60 -11.618 -3.445 -0.523 1.00 0.00 C ATOM 819 C PHE A 60 -11.470 -3.896 -1.978 1.00 0.00 C ATOM 820 O PHE A 60 -10.991 -4.978 -2.257 1.00 0.00 O ATOM 821 CB PHE A 60 -10.499 -2.459 -0.174 1.00 0.00 C ATOM 822 CG PHE A 60 -9.289 -3.216 0.318 1.00 0.00 C ATOM 823 CD1 PHE A 60 -8.655 -4.142 -0.520 1.00 0.00 C ATOM 824 CD2 PHE A 60 -8.798 -2.992 1.611 1.00 0.00 C ATOM 825 CE1 PHE A 60 -7.533 -4.844 -0.065 1.00 0.00 C ATOM 826 CE2 PHE A 60 -7.674 -3.695 2.064 1.00 0.00 C ATOM 827 CZ PHE A 60 -7.043 -4.620 1.226 1.00 0.00 C ATOM 0 H PHE A 60 -10.628 -5.092 0.406 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.583 -2.955 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.237 -1.866 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.840 -1.763 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.032 -4.314 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.286 -2.278 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.045 -5.559 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.295 -3.523 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.177 -5.162 1.576 1.00 0.00 H new ATOM 837 N ASP A 61 -11.882 -3.078 -2.907 1.00 0.00 N ATOM 838 CA ASP A 61 -11.770 -3.462 -4.343 1.00 0.00 C ATOM 839 C ASP A 61 -10.763 -2.549 -5.044 1.00 0.00 C ATOM 840 O ASP A 61 -11.048 -1.404 -5.336 1.00 0.00 O ATOM 841 CB ASP A 61 -13.136 -3.322 -5.018 1.00 0.00 C ATOM 842 CG ASP A 61 -13.932 -2.201 -4.345 1.00 0.00 C ATOM 843 OD1 ASP A 61 -13.366 -1.139 -4.143 1.00 0.00 O ATOM 844 OD2 ASP A 61 -15.092 -2.423 -4.041 1.00 0.00 O ATOM 0 H ASP A 61 -12.292 -2.160 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.432 -4.496 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.008 -3.104 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.684 -4.262 -4.950 1.00 0.00 H new ATOM 849 N LEU A 62 -9.588 -3.047 -5.319 1.00 0.00 N ATOM 850 CA LEU A 62 -8.563 -2.207 -6.004 1.00 0.00 C ATOM 851 C LEU A 62 -8.500 -2.584 -7.484 1.00 0.00 C ATOM 852 O LEU A 62 -8.087 -3.670 -7.841 1.00 0.00 O ATOM 853 CB LEU A 62 -7.193 -2.449 -5.364 1.00 0.00 C ATOM 854 CG LEU A 62 -6.902 -1.347 -4.346 1.00 0.00 C ATOM 855 CD1 LEU A 62 -7.125 -1.887 -2.931 1.00 0.00 C ATOM 856 CD2 LEU A 62 -5.449 -0.890 -4.494 1.00 0.00 C ATOM 0 H LEU A 62 -9.293 -3.998 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.833 -1.156 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.175 -3.423 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.419 -2.463 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.569 -0.503 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.917 -1.101 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.159 -2.215 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.457 -2.730 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.239 -0.104 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.782 -1.734 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.289 -0.506 -5.502 1.00 0.00 H new ATOM 868 N ALA A 63 -8.902 -1.696 -8.350 1.00 0.00 N ATOM 869 CA ALA A 63 -8.859 -2.006 -9.807 1.00 0.00 C ATOM 870 C ALA A 63 -9.518 -3.365 -10.062 1.00 0.00 C ATOM 871 O ALA A 63 -10.494 -3.718 -9.431 1.00 0.00 O ATOM 872 CB ALA A 63 -7.402 -2.041 -10.271 1.00 0.00 C ATOM 0 H ALA A 63 -9.258 -0.770 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.398 -1.239 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.365 -2.267 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.939 -1.071 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.862 -2.810 -9.718 1.00 0.00 H new ATOM 878 N GLY A 64 -9.000 -4.130 -10.988 1.00 0.00 N ATOM 879 CA GLY A 64 -9.605 -5.461 -11.282 1.00 0.00 C ATOM 880 C GLY A 64 -9.052 -6.514 -10.317 1.00 0.00 C ATOM 881 O GLY A 64 -8.666 -7.593 -10.716 1.00 0.00 O ATOM 0 H GLY A 64 -8.185 -3.890 -11.552 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.690 -5.405 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.388 -5.749 -12.311 1.00 0.00 H new ATOM 885 N VAL A 65 -9.016 -6.210 -9.048 1.00 0.00 N ATOM 886 CA VAL A 65 -8.494 -7.198 -8.059 1.00 0.00 C ATOM 887 C VAL A 65 -9.330 -7.110 -6.779 1.00 0.00 C ATOM 888 O VAL A 65 -9.686 -6.038 -6.333 1.00 0.00 O ATOM 889 CB VAL A 65 -7.020 -6.889 -7.756 1.00 0.00 C ATOM 890 CG1 VAL A 65 -6.626 -7.455 -6.387 1.00 0.00 C ATOM 891 CG2 VAL A 65 -6.141 -7.530 -8.833 1.00 0.00 C ATOM 0 H VAL A 65 -9.325 -5.322 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.564 -8.207 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.880 -5.808 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.579 -7.228 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.249 -7.005 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.770 -8.535 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.093 -7.314 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.296 -8.609 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.407 -7.124 -9.809 1.00 0.00 H new ATOM 901 N HIS A 66 -9.648 -8.230 -6.189 1.00 0.00 N ATOM 902 CA HIS A 66 -10.464 -8.208 -4.943 1.00 0.00 C ATOM 903 C HIS A 66 -9.696 -8.888 -3.810 1.00 0.00 C ATOM 904 O HIS A 66 -9.370 -10.057 -3.880 1.00 0.00 O ATOM 905 CB HIS A 66 -11.780 -8.952 -5.179 1.00 0.00 C ATOM 906 CG HIS A 66 -12.580 -8.964 -3.907 1.00 0.00 C ATOM 907 ND1 HIS A 66 -13.398 -7.906 -3.540 1.00 0.00 N ATOM 908 CD2 HIS A 66 -12.699 -9.896 -2.906 1.00 0.00 C ATOM 909 CE1 HIS A 66 -13.967 -8.224 -2.363 1.00 0.00 C ATOM 910 NE2 HIS A 66 -13.576 -9.427 -1.931 1.00 0.00 N ATOM 0 H HIS A 66 -9.378 -9.158 -6.516 1.00 0.00 H new ATOM 0 HA HIS A 66 -10.672 -7.173 -4.670 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.347 -8.468 -5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.580 -9.972 -5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.190 -10.848 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.656 -7.585 -1.832 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.859 -9.900 -1.072 1.00 0.00 H new ATOM 918 N TYR A 67 -9.408 -8.167 -2.761 1.00 0.00 N ATOM 919 CA TYR A 67 -8.667 -8.772 -1.620 1.00 0.00 C ATOM 920 C TYR A 67 -9.383 -8.424 -0.312 1.00 0.00 C ATOM 921 O TYR A 67 -10.372 -7.719 -0.303 1.00 0.00 O ATOM 922 CB TYR A 67 -7.239 -8.223 -1.581 1.00 0.00 C ATOM 923 CG TYR A 67 -6.436 -8.756 -2.747 1.00 0.00 C ATOM 924 CD1 TYR A 67 -6.700 -10.030 -3.273 1.00 0.00 C ATOM 925 CD2 TYR A 67 -5.418 -7.972 -3.302 1.00 0.00 C ATOM 926 CE1 TYR A 67 -5.947 -10.513 -4.350 1.00 0.00 C ATOM 927 CE2 TYR A 67 -4.665 -8.456 -4.376 1.00 0.00 C ATOM 928 CZ TYR A 67 -4.929 -9.726 -4.900 1.00 0.00 C ATOM 929 OH TYR A 67 -4.184 -10.204 -5.959 1.00 0.00 O ATOM 0 H TYR A 67 -9.655 -7.184 -2.646 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.632 -9.854 -1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.261 -7.134 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.760 -8.504 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.484 -10.638 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.214 -6.991 -2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.152 -11.493 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.879 -7.849 -4.801 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.520 -9.533 -6.221 1.00 0.00 H new ATOM 939 N VAL A 68 -8.892 -8.917 0.793 1.00 0.00 N ATOM 940 CA VAL A 68 -9.548 -8.620 2.098 1.00 0.00 C ATOM 941 C VAL A 68 -8.726 -7.584 2.869 1.00 0.00 C ATOM 942 O VAL A 68 -7.588 -7.309 2.543 1.00 0.00 O ATOM 943 CB VAL A 68 -9.642 -9.907 2.920 1.00 0.00 C ATOM 944 CG1 VAL A 68 -8.245 -10.505 3.097 1.00 0.00 C ATOM 945 CG2 VAL A 68 -10.237 -9.592 4.293 1.00 0.00 C ATOM 0 H VAL A 68 -8.065 -9.512 0.848 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.547 -8.223 1.918 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.280 -10.622 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.313 -11.422 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.819 -10.730 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.606 -9.790 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.304 -10.508 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.599 -8.876 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.233 -9.167 4.169 1.00 0.00 H new ATOM 955 N THR A 69 -9.293 -7.010 3.895 1.00 0.00 N ATOM 956 CA THR A 69 -8.548 -5.996 4.693 1.00 0.00 C ATOM 957 C THR A 69 -7.908 -6.680 5.903 1.00 0.00 C ATOM 958 O THR A 69 -8.092 -7.859 6.126 1.00 0.00 O ATOM 959 CB THR A 69 -9.516 -4.910 5.166 1.00 0.00 C ATOM 960 OG1 THR A 69 -10.504 -4.697 4.167 1.00 0.00 O ATOM 961 CG2 THR A 69 -8.746 -3.611 5.414 1.00 0.00 C ATOM 0 H THR A 69 -10.242 -7.200 4.215 1.00 0.00 H new ATOM 0 HA THR A 69 -7.770 -5.542 4.079 1.00 0.00 H new ATOM 0 HB THR A 69 -9.996 -5.225 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.390 -4.900 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.436 -2.838 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.987 -3.778 6.178 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.265 -3.291 4.490 1.00 0.00 H new ATOM 969 N LEU A 70 -7.157 -5.954 6.686 1.00 0.00 N ATOM 970 CA LEU A 70 -6.510 -6.582 7.872 1.00 0.00 C ATOM 971 C LEU A 70 -6.532 -5.617 9.060 1.00 0.00 C ATOM 972 O LEU A 70 -6.896 -5.984 10.159 1.00 0.00 O ATOM 973 CB LEU A 70 -5.059 -6.936 7.537 1.00 0.00 C ATOM 974 CG LEU A 70 -4.827 -8.427 7.789 1.00 0.00 C ATOM 975 CD1 LEU A 70 -4.961 -8.718 9.284 1.00 0.00 C ATOM 976 CD2 LEU A 70 -5.870 -9.241 7.019 1.00 0.00 C ATOM 0 H LEU A 70 -6.965 -4.961 6.557 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.060 -7.486 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.846 -6.695 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.378 -6.343 8.148 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.827 -8.701 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.796 -9.780 9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.222 -8.137 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.961 -8.444 9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.706 -10.304 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.869 -8.966 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.779 -9.034 5.953 1.00 0.00 H new ATOM 988 N ARG A 71 -6.137 -4.389 8.859 1.00 0.00 N ATOM 989 CA ARG A 71 -6.132 -3.423 9.995 1.00 0.00 C ATOM 990 C ARG A 71 -6.549 -2.035 9.508 1.00 0.00 C ATOM 991 O ARG A 71 -5.798 -1.085 9.604 1.00 0.00 O ATOM 992 CB ARG A 71 -4.725 -3.350 10.591 1.00 0.00 C ATOM 993 CG ARG A 71 -4.799 -2.792 12.014 1.00 0.00 C ATOM 994 CD ARG A 71 -3.417 -2.300 12.445 1.00 0.00 C ATOM 995 NE ARG A 71 -2.664 -3.422 13.074 1.00 0.00 N ATOM 996 CZ ARG A 71 -1.375 -3.328 13.254 1.00 0.00 C ATOM 997 NH1 ARG A 71 -0.736 -2.251 12.883 1.00 0.00 N ATOM 998 NH2 ARG A 71 -0.722 -4.313 13.808 1.00 0.00 N ATOM 0 H ARG A 71 -5.820 -4.015 7.965 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.839 -3.761 10.753 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.272 -4.341 10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.090 -2.715 9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.517 -1.973 12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.152 -3.562 12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.870 -1.919 11.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.517 -1.474 13.150 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.158 -4.266 13.365 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.245 -1.480 12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.272 -2.181 13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.219 -5.155 14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.286 -4.241 13.949 1.00 0.00 H new ATOM 1012 N ALA A 72 -7.741 -1.903 8.995 1.00 0.00 N ATOM 1013 CA ALA A 72 -8.199 -0.569 8.515 1.00 0.00 C ATOM 1014 C ALA A 72 -8.782 0.220 9.688 1.00 0.00 C ATOM 1015 O ALA A 72 -9.981 0.270 9.880 1.00 0.00 O ATOM 1016 CB ALA A 72 -9.269 -0.747 7.436 1.00 0.00 C ATOM 0 H ALA A 72 -8.417 -2.660 8.888 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.352 -0.026 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.601 0.231 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.852 -1.308 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.117 -1.291 7.851 1.00 0.00 H new ATOM 1022 N ASP A 73 -7.944 0.837 10.474 1.00 0.00 N ATOM 1023 CA ASP A 73 -8.452 1.623 11.636 1.00 0.00 C ATOM 1024 C ASP A 73 -7.436 2.707 12.002 1.00 0.00 C ATOM 1025 O ASP A 73 -7.795 3.812 12.357 1.00 0.00 O ATOM 1026 CB ASP A 73 -8.659 0.699 12.842 1.00 0.00 C ATOM 1027 CG ASP A 73 -8.862 -0.744 12.370 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -9.916 -1.026 11.825 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -7.959 -1.541 12.564 1.00 0.00 O ATOM 0 H ASP A 73 -6.930 0.832 10.363 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.403 2.083 11.366 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.796 0.755 13.505 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.525 1.027 13.417 1.00 0.00 H new ATOM 1034 N ASP A 74 -6.170 2.396 11.927 1.00 0.00 N ATOM 1035 CA ASP A 74 -5.134 3.408 12.275 1.00 0.00 C ATOM 1036 C ASP A 74 -4.445 3.905 10.998 1.00 0.00 C ATOM 1037 O ASP A 74 -4.967 4.749 10.295 1.00 0.00 O ATOM 1038 CB ASP A 74 -4.098 2.786 13.223 1.00 0.00 C ATOM 1039 CG ASP A 74 -4.024 1.272 13.001 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -3.520 0.868 11.966 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -4.474 0.543 13.870 1.00 0.00 O ATOM 0 H ASP A 74 -5.810 1.486 11.640 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.610 4.253 12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.120 3.235 13.050 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.368 2.997 14.258 1.00 0.00 H new ATOM 1046 N ARG A 75 -3.278 3.405 10.691 1.00 0.00 N ATOM 1047 CA ARG A 75 -2.571 3.874 9.460 1.00 0.00 C ATOM 1048 C ARG A 75 -2.133 2.673 8.614 1.00 0.00 C ATOM 1049 O ARG A 75 -1.808 2.810 7.453 1.00 0.00 O ATOM 1050 CB ARG A 75 -1.333 4.704 9.842 1.00 0.00 C ATOM 1051 CG ARG A 75 -1.168 4.757 11.366 1.00 0.00 C ATOM 1052 CD ARG A 75 0.211 5.316 11.714 1.00 0.00 C ATOM 1053 NE ARG A 75 0.866 4.438 12.737 1.00 0.00 N ATOM 1054 CZ ARG A 75 0.232 4.068 13.820 1.00 0.00 C ATOM 1055 NH1 ARG A 75 -0.920 4.599 14.138 1.00 0.00 N ATOM 1056 NH2 ARG A 75 0.783 3.197 14.621 1.00 0.00 N ATOM 0 H ARG A 75 -2.785 2.697 11.234 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.257 4.494 8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.442 4.268 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.430 5.715 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.946 5.382 11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.284 3.759 11.789 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.829 5.371 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.116 6.332 12.099 1.00 0.00 H new ATOM 0 HE ARG A 75 1.824 4.123 12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.336 5.312 13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.403 4.300 14.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.701 2.810 14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.296 2.903 15.467 1.00 0.00 H new ATOM 1070 N SER A 76 -2.118 1.497 9.178 1.00 0.00 N ATOM 1071 CA SER A 76 -1.696 0.303 8.393 1.00 0.00 C ATOM 1072 C SER A 76 -2.918 -0.310 7.702 1.00 0.00 C ATOM 1073 O SER A 76 -3.947 -0.515 8.314 1.00 0.00 O ATOM 1074 CB SER A 76 -1.070 -0.725 9.336 1.00 0.00 C ATOM 1075 OG SER A 76 0.271 -0.349 9.619 1.00 0.00 O ATOM 0 H SER A 76 -2.379 1.311 10.146 1.00 0.00 H new ATOM 0 HA SER A 76 -0.965 0.598 7.640 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.645 -0.785 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.094 -1.715 8.880 1.00 0.00 H new ATOM 0 HG SER A 76 0.768 -0.253 8.780 1.00 0.00 H new ATOM 1081 N ILE A 77 -2.817 -0.599 6.432 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.981 -1.193 5.713 1.00 0.00 C ATOM 1083 C ILE A 77 -3.493 -2.111 4.589 1.00 0.00 C ATOM 1084 O ILE A 77 -3.796 -1.902 3.432 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.836 -0.074 5.113 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -5.433 0.771 6.239 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -5.967 -0.686 4.284 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -4.501 1.945 6.549 1.00 0.00 C ATOM 0 H ILE A 77 -1.983 -0.450 5.864 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.574 -1.774 6.419 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.215 0.555 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.416 1.141 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.574 0.160 7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.576 0.110 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.544 -1.290 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.587 -1.314 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.928 2.546 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.528 1.565 6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.383 2.561 5.658 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.757 -3.138 4.917 1.00 0.00 N ATOM 1101 CA TYR A 78 -2.278 -4.072 3.855 1.00 0.00 C ATOM 1102 C TYR A 78 -3.317 -5.187 3.689 1.00 0.00 C ATOM 1103 O TYR A 78 -4.148 -5.399 4.550 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.918 -4.676 4.242 1.00 0.00 C ATOM 1105 CG TYR A 78 -0.223 -3.808 5.270 1.00 0.00 C ATOM 1106 CD1 TYR A 78 -0.464 -4.020 6.633 1.00 0.00 C ATOM 1107 CD2 TYR A 78 0.664 -2.796 4.864 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.178 -3.225 7.591 1.00 0.00 C ATOM 1109 CE2 TYR A 78 1.304 -2.004 5.825 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.062 -2.218 7.187 1.00 0.00 C ATOM 1111 OH TYR A 78 1.695 -1.437 8.130 1.00 0.00 O ATOM 0 H TYR A 78 -2.468 -3.371 5.867 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.153 -3.530 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.060 -5.680 4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.291 -4.772 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.146 -4.797 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.851 -2.630 3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.009 -3.389 8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.986 -1.226 5.515 1.00 0.00 H new ATOM 0 HH TYR A 78 1.313 -1.618 9.014 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.297 -5.891 2.589 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.306 -6.974 2.383 1.00 0.00 C ATOM 1123 C GLY A 79 -3.620 -8.342 2.335 1.00 0.00 C ATOM 1124 O GLY A 79 -2.441 -8.451 2.060 1.00 0.00 O ATOM 0 H GLY A 79 -2.630 -5.765 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.038 -6.956 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.850 -6.801 1.455 1.00 0.00 H new ATOM 1128 N LYS A 80 -4.358 -9.391 2.597 1.00 0.00 N ATOM 1129 CA LYS A 80 -3.763 -10.758 2.566 1.00 0.00 C ATOM 1130 C LYS A 80 -4.805 -11.754 2.049 1.00 0.00 C ATOM 1131 O LYS A 80 -5.939 -11.763 2.487 1.00 0.00 O ATOM 1132 CB LYS A 80 -3.332 -11.164 3.977 1.00 0.00 C ATOM 1133 CG LYS A 80 -2.144 -10.306 4.418 1.00 0.00 C ATOM 1134 CD LYS A 80 -1.362 -11.044 5.506 1.00 0.00 C ATOM 1135 CE LYS A 80 -1.633 -10.392 6.864 1.00 0.00 C ATOM 1136 NZ LYS A 80 -1.237 -11.327 7.954 1.00 0.00 N ATOM 0 H LYS A 80 -5.350 -9.357 2.832 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.895 -10.759 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.162 -11.038 4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.058 -12.219 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.496 -10.097 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.495 -9.345 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.655 -12.094 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.295 -11.016 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.074 -9.460 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.690 -10.140 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.422 -10.883 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.789 -12.205 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.224 -11.547 7.872 1.00 0.00 H new ATOM 1150 N LYS A 81 -4.430 -12.595 1.124 1.00 0.00 N ATOM 1151 CA LYS A 81 -5.399 -13.591 0.584 1.00 0.00 C ATOM 1152 C LYS A 81 -4.780 -14.306 -0.618 1.00 0.00 C ATOM 1153 O LYS A 81 -4.293 -13.682 -1.541 1.00 0.00 O ATOM 1154 CB LYS A 81 -6.679 -12.876 0.144 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.553 -13.844 -0.657 1.00 0.00 C ATOM 1156 CD LYS A 81 -8.941 -13.930 -0.017 1.00 0.00 C ATOM 1157 CE LYS A 81 -8.870 -14.787 1.250 1.00 0.00 C ATOM 1158 NZ LYS A 81 -10.184 -14.746 1.953 1.00 0.00 N ATOM 0 H LYS A 81 -3.495 -12.636 0.719 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.637 -14.319 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.224 -12.513 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.432 -12.005 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.638 -13.505 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.091 -14.831 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.302 -12.931 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.651 -14.363 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.615 -15.815 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.082 -14.419 1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.136 -15.328 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.409 -13.764 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.925 -15.117 1.325 1.00 0.00 H new ATOM 1172 N GLY A 82 -4.797 -15.611 -0.617 1.00 0.00 N ATOM 1173 CA GLY A 82 -4.211 -16.367 -1.761 1.00 0.00 C ATOM 1174 C GLY A 82 -2.748 -15.964 -1.947 1.00 0.00 C ATOM 1175 O GLY A 82 -2.337 -15.561 -3.016 1.00 0.00 O ATOM 0 H GLY A 82 -5.191 -16.187 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.283 -17.439 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.774 -16.162 -2.672 1.00 0.00 H new ATOM 1179 N SER A 83 -1.957 -16.072 -0.915 1.00 0.00 N ATOM 1180 CA SER A 83 -0.519 -15.698 -1.037 1.00 0.00 C ATOM 1181 C SER A 83 -0.394 -14.384 -1.811 1.00 0.00 C ATOM 1182 O SER A 83 0.608 -14.118 -2.443 1.00 0.00 O ATOM 1183 CB SER A 83 0.231 -16.800 -1.788 1.00 0.00 C ATOM 1184 OG SER A 83 1.044 -17.522 -0.874 1.00 0.00 O ATOM 0 H SER A 83 -2.243 -16.403 0.006 1.00 0.00 H new ATOM 0 HA SER A 83 -0.092 -15.576 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.477 -17.473 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.847 -16.365 -2.575 1.00 0.00 H new ATOM 0 HG SER A 83 1.524 -18.230 -1.352 1.00 0.00 H new ATOM 1190 N ALA A 84 -1.404 -13.560 -1.765 1.00 0.00 N ATOM 1191 CA ALA A 84 -1.342 -12.264 -2.499 1.00 0.00 C ATOM 1192 C ALA A 84 -2.088 -11.195 -1.697 1.00 0.00 C ATOM 1193 O ALA A 84 -2.985 -11.495 -0.934 1.00 0.00 O ATOM 1194 CB ALA A 84 -1.996 -12.427 -3.872 1.00 0.00 C ATOM 0 H ALA A 84 -2.269 -13.727 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.303 -11.962 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.952 -11.480 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.466 -13.192 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.037 -12.725 -3.746 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.726 -9.951 -1.856 1.00 0.00 N ATOM 1201 CA GLY A 85 -2.423 -8.874 -1.094 1.00 0.00 C ATOM 1202 C GLY A 85 -1.811 -7.517 -1.444 1.00 0.00 C ATOM 1203 O GLY A 85 -1.071 -7.386 -2.399 1.00 0.00 O ATOM 0 H GLY A 85 -0.982 -9.634 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.487 -8.877 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.336 -9.058 -0.023 1.00 0.00 H new ATOM 1207 N VAL A 86 -2.117 -6.503 -0.680 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.552 -5.156 -0.977 1.00 0.00 C ATOM 1209 C VAL A 86 -0.773 -4.644 0.240 1.00 0.00 C ATOM 1210 O VAL A 86 -0.681 -5.302 1.256 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.693 -4.188 -1.313 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.706 -4.887 -2.222 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -3.395 -3.747 -0.026 1.00 0.00 C ATOM 0 H VAL A 86 -2.731 -6.549 0.133 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.875 -5.224 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.282 -3.315 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.517 -4.199 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.213 -5.200 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.111 -5.761 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.205 -3.059 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.802 -4.620 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.679 -3.247 0.626 1.00 0.00 H new ATOM 1223 N ILE A 87 -0.211 -3.470 0.140 1.00 0.00 N ATOM 1224 CA ILE A 87 0.562 -2.908 1.284 1.00 0.00 C ATOM 1225 C ILE A 87 0.321 -1.399 1.358 1.00 0.00 C ATOM 1226 O ILE A 87 1.203 -0.607 1.090 1.00 0.00 O ATOM 1227 CB ILE A 87 2.053 -3.179 1.067 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.293 -4.691 1.006 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.858 -2.581 2.222 1.00 0.00 C ATOM 1230 CD1 ILE A 87 1.995 -5.315 2.371 1.00 0.00 C ATOM 0 H ILE A 87 -0.254 -2.874 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 87 0.240 -3.375 2.215 1.00 0.00 H new ATOM 0 HB ILE A 87 2.371 -2.721 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.657 -5.140 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.325 -4.894 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.919 -2.775 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.689 -1.505 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.541 -3.036 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.167 -6.390 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.650 -4.875 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.956 -5.125 2.639 1.00 0.00 H new ATOM 1242 N THR A 88 -0.868 -0.991 1.709 1.00 0.00 N ATOM 1243 CA THR A 88 -1.158 0.470 1.783 1.00 0.00 C ATOM 1244 C THR A 88 -1.088 0.945 3.235 1.00 0.00 C ATOM 1245 O THR A 88 -1.859 0.527 4.077 1.00 0.00 O ATOM 1246 CB THR A 88 -2.557 0.747 1.223 1.00 0.00 C ATOM 1247 OG1 THR A 88 -3.513 0.655 2.272 1.00 0.00 O ATOM 1248 CG2 THR A 88 -2.887 -0.274 0.132 1.00 0.00 C ATOM 0 H THR A 88 -1.649 -1.603 1.947 1.00 0.00 H new ATOM 0 HA THR A 88 -0.416 1.009 1.194 1.00 0.00 H new ATOM 0 HB THR A 88 -2.585 1.749 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.175 0.057 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.883 -0.074 -0.264 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.155 -0.197 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.859 -1.279 0.554 1.00 0.00 H new ATOM 1256 N VAL A 89 -0.169 1.824 3.530 1.00 0.00 N ATOM 1257 CA VAL A 89 -0.044 2.343 4.921 1.00 0.00 C ATOM 1258 C VAL A 89 0.362 3.818 4.867 1.00 0.00 C ATOM 1259 O VAL A 89 1.012 4.258 3.938 1.00 0.00 O ATOM 1260 CB VAL A 89 1.018 1.544 5.678 1.00 0.00 C ATOM 1261 CG1 VAL A 89 2.308 1.497 4.858 1.00 0.00 C ATOM 1262 CG2 VAL A 89 1.295 2.218 7.023 1.00 0.00 C ATOM 0 H VAL A 89 0.503 2.206 2.864 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.998 2.242 5.438 1.00 0.00 H new ATOM 0 HB VAL A 89 0.658 0.528 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.063 0.927 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.112 1.019 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.670 2.511 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.052 1.651 7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.654 3.233 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.377 2.251 7.609 1.00 0.00 H new ATOM 1272 N LYS A 90 -0.020 4.589 5.849 1.00 0.00 N ATOM 1273 CA LYS A 90 0.340 6.035 5.845 1.00 0.00 C ATOM 1274 C LYS A 90 1.568 6.265 6.727 1.00 0.00 C ATOM 1275 O LYS A 90 1.793 5.565 7.694 1.00 0.00 O ATOM 1276 CB LYS A 90 -0.837 6.852 6.385 1.00 0.00 C ATOM 1277 CG LYS A 90 -1.479 7.641 5.242 1.00 0.00 C ATOM 1278 CD LYS A 90 -2.093 8.929 5.795 1.00 0.00 C ATOM 1279 CE LYS A 90 -0.981 9.914 6.152 1.00 0.00 C ATOM 1280 NZ LYS A 90 -1.406 11.294 5.784 1.00 0.00 N ATOM 0 H LYS A 90 -0.566 4.280 6.653 1.00 0.00 H new ATOM 0 HA LYS A 90 0.567 6.348 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.573 6.191 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.494 7.533 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.732 7.877 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.247 7.039 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.761 9.372 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.694 8.708 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.762 9.861 7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.064 9.651 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.650 11.966 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.594 11.338 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.270 11.542 6.306 1.00 0.00 H new ATOM 1294 N THR A 91 2.360 7.249 6.401 1.00 0.00 N ATOM 1295 CA THR A 91 3.573 7.538 7.218 1.00 0.00 C ATOM 1296 C THR A 91 3.512 8.993 7.699 1.00 0.00 C ATOM 1297 O THR A 91 2.469 9.478 8.089 1.00 0.00 O ATOM 1298 CB THR A 91 4.825 7.319 6.361 1.00 0.00 C ATOM 1299 OG1 THR A 91 4.798 8.207 5.251 1.00 0.00 O ATOM 1300 CG2 THR A 91 4.858 5.874 5.861 1.00 0.00 C ATOM 0 H THR A 91 2.219 7.867 5.602 1.00 0.00 H new ATOM 0 HA THR A 91 3.613 6.873 8.081 1.00 0.00 H new ATOM 0 HB THR A 91 5.715 7.513 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.664 8.185 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.749 5.720 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.879 5.195 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.970 5.676 5.261 1.00 0.00 H new ATOM 1308 N SER A 92 4.613 9.699 7.676 1.00 0.00 N ATOM 1309 CA SER A 92 4.589 11.117 8.131 1.00 0.00 C ATOM 1310 C SER A 92 3.743 11.946 7.160 1.00 0.00 C ATOM 1311 O SER A 92 3.317 13.040 7.469 1.00 0.00 O ATOM 1312 CB SER A 92 6.018 11.664 8.168 1.00 0.00 C ATOM 1313 OG SER A 92 6.380 11.940 9.515 1.00 0.00 O ATOM 0 H SER A 92 5.521 9.356 7.364 1.00 0.00 H new ATOM 0 HA SER A 92 4.156 11.175 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.708 10.940 7.735 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.088 12.571 7.567 1.00 0.00 H new ATOM 0 HG SER A 92 7.307 11.662 9.668 1.00 0.00 H new ATOM 1319 N LYS A 93 3.492 11.427 5.988 1.00 0.00 N ATOM 1320 CA LYS A 93 2.669 12.176 4.995 1.00 0.00 C ATOM 1321 C LYS A 93 2.789 11.502 3.628 1.00 0.00 C ATOM 1322 O LYS A 93 3.342 12.054 2.697 1.00 0.00 O ATOM 1323 CB LYS A 93 3.164 13.620 4.897 1.00 0.00 C ATOM 1324 CG LYS A 93 2.034 14.572 5.297 1.00 0.00 C ATOM 1325 CD LYS A 93 2.619 15.783 6.025 1.00 0.00 C ATOM 1326 CE LYS A 93 1.856 17.043 5.612 1.00 0.00 C ATOM 1327 NZ LYS A 93 2.579 17.715 4.494 1.00 0.00 N ATOM 0 H LYS A 93 3.822 10.514 5.675 1.00 0.00 H new ATOM 0 HA LYS A 93 1.627 12.175 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.025 13.766 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.493 13.835 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.487 14.896 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.321 14.057 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.551 15.641 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.677 15.890 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.844 16.783 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.765 17.721 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.062 18.572 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.536 17.975 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.644 17.067 3.683 1.00 0.00 H new ATOM 1341 N SER A 94 2.279 10.308 3.503 1.00 0.00 N ATOM 1342 CA SER A 94 2.362 9.587 2.201 1.00 0.00 C ATOM 1343 C SER A 94 1.758 8.190 2.362 1.00 0.00 C ATOM 1344 O SER A 94 1.691 7.657 3.451 1.00 0.00 O ATOM 1345 CB SER A 94 3.826 9.465 1.781 1.00 0.00 C ATOM 1346 OG SER A 94 4.610 9.103 2.911 1.00 0.00 O ATOM 0 H SER A 94 1.806 9.798 4.250 1.00 0.00 H new ATOM 0 HA SER A 94 1.812 10.138 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.930 8.715 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.178 10.410 1.368 1.00 0.00 H new ATOM 0 HG SER A 94 4.038 8.679 3.584 1.00 0.00 H new ATOM 1352 N ILE A 95 1.313 7.591 1.291 1.00 0.00 N ATOM 1353 CA ILE A 95 0.713 6.232 1.403 1.00 0.00 C ATOM 1354 C ILE A 95 1.357 5.294 0.379 1.00 0.00 C ATOM 1355 O ILE A 95 1.015 5.306 -0.787 1.00 0.00 O ATOM 1356 CB ILE A 95 -0.793 6.319 1.144 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -1.439 7.218 2.201 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -1.407 4.920 1.221 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -2.632 7.952 1.590 1.00 0.00 C ATOM 0 H ILE A 95 1.339 7.981 0.349 1.00 0.00 H new ATOM 0 HA ILE A 95 0.889 5.841 2.405 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.968 6.737 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.764 6.620 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.710 7.937 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.479 4.983 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.946 4.279 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.233 4.500 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.091 8.592 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.294 8.563 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.364 7.226 1.236 1.00 0.00 H new ATOM 1371 N LEU A 96 2.281 4.475 0.805 1.00 0.00 N ATOM 1372 CA LEU A 96 2.934 3.532 -0.146 1.00 0.00 C ATOM 1373 C LEU A 96 1.997 2.351 -0.396 1.00 0.00 C ATOM 1374 O LEU A 96 1.375 1.840 0.514 1.00 0.00 O ATOM 1375 CB LEU A 96 4.245 3.023 0.453 1.00 0.00 C ATOM 1376 CG LEU A 96 3.940 2.180 1.691 1.00 0.00 C ATOM 1377 CD1 LEU A 96 3.957 0.697 1.314 1.00 0.00 C ATOM 1378 CD2 LEU A 96 5.001 2.449 2.761 1.00 0.00 C ATOM 0 H LEU A 96 2.611 4.419 1.769 1.00 0.00 H new ATOM 0 HA LEU A 96 3.144 4.044 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.787 2.428 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.887 3.863 0.720 1.00 0.00 H new ATOM 0 HG LEU A 96 2.956 2.443 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.740 0.095 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.203 0.507 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.941 0.431 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.786 1.849 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.984 2.184 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.989 3.506 3.028 1.00 0.00 H new ATOM 1390 N VAL A 97 1.882 1.915 -1.620 1.00 0.00 N ATOM 1391 CA VAL A 97 0.971 0.774 -1.913 1.00 0.00 C ATOM 1392 C VAL A 97 1.770 -0.414 -2.456 1.00 0.00 C ATOM 1393 O VAL A 97 1.822 -0.643 -3.649 1.00 0.00 O ATOM 1394 CB VAL A 97 -0.062 1.207 -2.954 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -1.167 0.154 -3.046 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.675 2.549 -2.546 1.00 0.00 C ATOM 0 H VAL A 97 2.377 2.297 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 97 0.469 0.474 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 97 0.427 1.311 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.903 0.463 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.735 -0.802 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.652 0.050 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.411 2.854 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.161 2.447 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.110 3.303 -2.481 1.00 0.00 H new ATOM 1406 N GLY A 98 2.381 -1.183 -1.594 1.00 0.00 N ATOM 1407 CA GLY A 98 3.158 -2.365 -2.068 1.00 0.00 C ATOM 1408 C GLY A 98 2.175 -3.460 -2.487 1.00 0.00 C ATOM 1409 O GLY A 98 1.494 -4.042 -1.667 1.00 0.00 O ATOM 0 H GLY A 98 2.376 -1.044 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.795 -2.087 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.814 -2.728 -1.277 1.00 0.00 H new ATOM 1413 N VAL A 99 2.084 -3.738 -3.758 1.00 0.00 N ATOM 1414 CA VAL A 99 1.130 -4.785 -4.226 1.00 0.00 C ATOM 1415 C VAL A 99 1.916 -5.993 -4.754 1.00 0.00 C ATOM 1416 O VAL A 99 2.798 -5.859 -5.583 1.00 0.00 O ATOM 1417 CB VAL A 99 0.231 -4.216 -5.341 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -1.233 -4.286 -4.900 1.00 0.00 C ATOM 1419 CG2 VAL A 99 0.589 -2.749 -5.628 1.00 0.00 C ATOM 0 H VAL A 99 2.628 -3.286 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 99 0.502 -5.099 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 99 0.385 -4.807 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.870 -3.884 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.506 -5.324 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.367 -3.701 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.056 -2.365 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.448 -2.157 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.630 -2.684 -5.946 1.00 0.00 H new ATOM 1429 N TYR A 100 1.610 -7.172 -4.272 1.00 0.00 N ATOM 1430 CA TYR A 100 2.344 -8.384 -4.741 1.00 0.00 C ATOM 1431 C TYR A 100 1.349 -9.480 -5.126 1.00 0.00 C ATOM 1432 O TYR A 100 0.159 -9.357 -4.914 1.00 0.00 O ATOM 1433 CB TYR A 100 3.253 -8.902 -3.622 1.00 0.00 C ATOM 1434 CG TYR A 100 2.411 -9.408 -2.472 1.00 0.00 C ATOM 1435 CD1 TYR A 100 1.776 -8.499 -1.618 1.00 0.00 C ATOM 1436 CD2 TYR A 100 2.271 -10.784 -2.257 1.00 0.00 C ATOM 1437 CE1 TYR A 100 1.001 -8.966 -0.548 1.00 0.00 C ATOM 1438 CE2 TYR A 100 1.496 -11.252 -1.188 1.00 0.00 C ATOM 1439 CZ TYR A 100 0.860 -10.342 -0.333 1.00 0.00 C ATOM 1440 OH TYR A 100 0.096 -10.803 0.721 1.00 0.00 O ATOM 0 H TYR A 100 0.885 -7.346 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 100 2.946 -8.118 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.889 -9.703 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.913 -8.105 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.883 -7.437 -1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.761 -11.486 -2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.512 -8.264 0.111 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.389 -12.314 -1.023 1.00 0.00 H new ATOM 0 HH TYR A 100 0.103 -11.783 0.726 1.00 0.00 H new ATOM 1450 N ASN A 101 1.836 -10.552 -5.688 1.00 0.00 N ATOM 1451 CA ASN A 101 0.931 -11.664 -6.092 1.00 0.00 C ATOM 1452 C ASN A 101 1.372 -12.957 -5.396 1.00 0.00 C ATOM 1453 O ASN A 101 1.770 -12.948 -4.248 1.00 0.00 O ATOM 1454 CB ASN A 101 1.005 -11.841 -7.611 1.00 0.00 C ATOM 1455 CG ASN A 101 0.824 -10.487 -8.296 1.00 0.00 C ATOM 1456 OD1 ASN A 101 1.778 -9.901 -8.771 1.00 0.00 O ATOM 1457 ND2 ASN A 101 -0.368 -9.961 -8.372 1.00 0.00 N ATOM 0 H ASN A 101 2.825 -10.706 -5.885 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.094 -11.433 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.965 -12.275 -7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 101 0.233 -12.534 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.499 -9.059 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.168 -10.452 -7.974 1.00 0.00 H new ATOM 1464 N GLU A 102 1.306 -14.069 -6.079 1.00 0.00 N ATOM 1465 CA GLU A 102 1.723 -15.358 -5.456 1.00 0.00 C ATOM 1466 C GLU A 102 3.250 -15.462 -5.475 1.00 0.00 C ATOM 1467 O GLU A 102 3.840 -16.231 -4.742 1.00 0.00 O ATOM 1468 CB GLU A 102 1.126 -16.518 -6.255 1.00 0.00 C ATOM 1469 CG GLU A 102 1.706 -16.511 -7.673 1.00 0.00 C ATOM 1470 CD GLU A 102 1.704 -17.934 -8.234 1.00 0.00 C ATOM 1471 OE1 GLU A 102 0.686 -18.595 -8.113 1.00 0.00 O ATOM 1472 OE2 GLU A 102 2.720 -18.338 -8.775 1.00 0.00 O ATOM 0 H GLU A 102 0.981 -14.140 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 102 1.369 -15.399 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.349 -17.465 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.041 -16.427 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.117 -15.855 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.722 -16.116 -7.660 1.00 0.00 H new ATOM 1479 N LYS A 103 3.891 -14.695 -6.312 1.00 0.00 N ATOM 1480 CA LYS A 103 5.379 -14.748 -6.389 1.00 0.00 C ATOM 1481 C LYS A 103 5.982 -14.428 -5.018 1.00 0.00 C ATOM 1482 O LYS A 103 7.084 -14.833 -4.706 1.00 0.00 O ATOM 1483 CB LYS A 103 5.870 -13.722 -7.413 1.00 0.00 C ATOM 1484 CG LYS A 103 6.051 -14.399 -8.774 1.00 0.00 C ATOM 1485 CD LYS A 103 6.438 -13.350 -9.818 1.00 0.00 C ATOM 1486 CE LYS A 103 6.665 -14.033 -11.169 1.00 0.00 C ATOM 1487 NZ LYS A 103 7.200 -13.042 -12.145 1.00 0.00 N ATOM 0 H LYS A 103 3.448 -14.032 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 103 5.689 -15.748 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.154 -12.904 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.814 -13.288 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.822 -15.166 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.128 -14.898 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.651 -12.601 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.342 -12.828 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.364 -14.862 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.729 -14.453 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.354 -13.507 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.518 -12.265 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.102 -12.661 -11.794 1.00 0.00 H new ATOM 1501 N ILE A 104 5.273 -13.703 -4.194 1.00 0.00 N ATOM 1502 CA ILE A 104 5.814 -13.359 -2.847 1.00 0.00 C ATOM 1503 C ILE A 104 4.797 -13.747 -1.773 1.00 0.00 C ATOM 1504 O ILE A 104 3.604 -13.625 -1.962 1.00 0.00 O ATOM 1505 CB ILE A 104 6.087 -11.854 -2.777 1.00 0.00 C ATOM 1506 CG1 ILE A 104 7.346 -11.530 -3.585 1.00 0.00 C ATOM 1507 CG2 ILE A 104 6.296 -11.430 -1.322 1.00 0.00 C ATOM 1508 CD1 ILE A 104 7.103 -10.279 -4.430 1.00 0.00 C ATOM 0 H ILE A 104 4.343 -13.335 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 104 6.743 -13.904 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 104 5.234 -11.314 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.190 -11.370 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.605 -12.371 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.490 -10.358 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.401 -11.660 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.146 -11.969 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.000 -10.049 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.271 -10.456 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.865 -9.439 -3.777 1.00 0.00 H new ATOM 1520 N GLN A 105 5.260 -14.214 -0.645 1.00 0.00 N ATOM 1521 CA GLN A 105 4.318 -14.609 0.441 1.00 0.00 C ATOM 1522 C GLN A 105 4.291 -13.514 1.512 1.00 0.00 C ATOM 1523 O GLN A 105 5.215 -12.732 1.618 1.00 0.00 O ATOM 1524 CB GLN A 105 4.778 -15.926 1.072 1.00 0.00 C ATOM 1525 CG GLN A 105 5.288 -16.877 -0.014 1.00 0.00 C ATOM 1526 CD GLN A 105 6.685 -17.374 0.364 1.00 0.00 C ATOM 1527 OE1 GLN A 105 7.613 -17.263 -0.412 1.00 0.00 O ATOM 1528 NE2 GLN A 105 6.874 -17.922 1.534 1.00 0.00 N ATOM 0 H GLN A 105 6.249 -14.339 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 105 3.320 -14.739 0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.567 -15.734 1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.952 -16.388 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.607 -17.721 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.319 -16.365 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.095 -18.015 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.801 -18.257 1.797 1.00 0.00 H new ATOM 1537 N PRO A 106 3.227 -13.491 2.276 1.00 0.00 N ATOM 1538 CA PRO A 106 3.054 -12.497 3.351 1.00 0.00 C ATOM 1539 C PRO A 106 4.163 -12.650 4.396 1.00 0.00 C ATOM 1540 O PRO A 106 4.723 -13.714 4.569 1.00 0.00 O ATOM 1541 CB PRO A 106 1.684 -12.819 3.968 1.00 0.00 C ATOM 1542 CG PRO A 106 1.110 -14.052 3.222 1.00 0.00 C ATOM 1543 CD PRO A 106 2.115 -14.449 2.130 1.00 0.00 C ATOM 0 HA PRO A 106 3.106 -11.473 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.784 -13.028 5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.011 -11.967 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.952 -14.879 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.141 -13.816 2.782 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.457 -15.475 2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.667 -14.387 1.138 1.00 0.00 H new ATOM 1551 N GLY A 107 4.484 -11.597 5.096 1.00 0.00 N ATOM 1552 CA GLY A 107 5.555 -11.690 6.129 1.00 0.00 C ATOM 1553 C GLY A 107 6.763 -10.855 5.697 1.00 0.00 C ATOM 1554 O GLY A 107 7.151 -9.916 6.363 1.00 0.00 O ATOM 0 H GLY A 107 4.052 -10.678 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.180 -11.335 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.851 -12.730 6.268 1.00 0.00 H new ATOM 1558 N THR A 108 7.362 -11.193 4.590 1.00 0.00 N ATOM 1559 CA THR A 108 8.547 -10.422 4.118 1.00 0.00 C ATOM 1560 C THR A 108 8.091 -9.087 3.523 1.00 0.00 C ATOM 1561 O THR A 108 8.851 -8.143 3.444 1.00 0.00 O ATOM 1562 CB THR A 108 9.283 -11.228 3.046 1.00 0.00 C ATOM 1563 OG1 THR A 108 9.207 -12.611 3.360 1.00 0.00 O ATOM 1564 CG2 THR A 108 10.749 -10.792 2.997 1.00 0.00 C ATOM 0 H THR A 108 7.083 -11.970 3.991 1.00 0.00 H new ATOM 0 HA THR A 108 9.214 -10.234 4.960 1.00 0.00 H new ATOM 0 HB THR A 108 8.821 -11.051 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.677 -13.129 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.274 -11.366 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.805 -9.731 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.214 -10.969 3.967 1.00 0.00 H new ATOM 1572 N ALA A 109 6.858 -8.999 3.100 1.00 0.00 N ATOM 1573 CA ALA A 109 6.365 -7.723 2.508 1.00 0.00 C ATOM 1574 C ALA A 109 6.112 -6.704 3.621 1.00 0.00 C ATOM 1575 O ALA A 109 6.368 -5.527 3.466 1.00 0.00 O ATOM 1576 CB ALA A 109 5.061 -7.980 1.749 1.00 0.00 C ATOM 0 H ALA A 109 6.173 -9.754 3.139 1.00 0.00 H new ATOM 0 HA ALA A 109 7.115 -7.332 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.702 -7.046 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.240 -8.703 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.312 -8.374 2.436 1.00 0.00 H new ATOM 1582 N ALA A 110 5.606 -7.143 4.740 1.00 0.00 N ATOM 1583 CA ALA A 110 5.334 -6.193 5.856 1.00 0.00 C ATOM 1584 C ALA A 110 6.634 -5.894 6.607 1.00 0.00 C ATOM 1585 O ALA A 110 6.877 -4.779 7.027 1.00 0.00 O ATOM 1586 CB ALA A 110 4.320 -6.817 6.817 1.00 0.00 C ATOM 0 H ALA A 110 5.369 -8.117 4.930 1.00 0.00 H new ATOM 0 HA ALA A 110 4.931 -5.264 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.119 -6.124 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.393 -7.026 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.724 -7.746 7.220 1.00 0.00 H new ATOM 1592 N ASN A 111 7.473 -6.879 6.782 1.00 0.00 N ATOM 1593 CA ASN A 111 8.754 -6.647 7.507 1.00 0.00 C ATOM 1594 C ASN A 111 9.618 -5.660 6.721 1.00 0.00 C ATOM 1595 O ASN A 111 10.247 -4.784 7.283 1.00 0.00 O ATOM 1596 CB ASN A 111 9.504 -7.973 7.653 1.00 0.00 C ATOM 1597 CG ASN A 111 10.504 -7.875 8.807 1.00 0.00 C ATOM 1598 OD1 ASN A 111 10.202 -8.252 9.922 1.00 0.00 O ATOM 1599 ND2 ASN A 111 11.692 -7.380 8.587 1.00 0.00 N ATOM 0 H ASN A 111 7.326 -7.834 6.454 1.00 0.00 H new ATOM 0 HA ASN A 111 8.541 -6.236 8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.798 -8.783 7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.026 -8.211 6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.365 -7.310 9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.947 -7.063 7.652 1.00 0.00 H new ATOM 1606 N VAL A 112 9.657 -5.795 5.423 1.00 0.00 N ATOM 1607 CA VAL A 112 10.486 -4.865 4.607 1.00 0.00 C ATOM 1608 C VAL A 112 9.912 -3.444 4.714 1.00 0.00 C ATOM 1609 O VAL A 112 10.636 -2.481 4.857 1.00 0.00 O ATOM 1610 CB VAL A 112 10.507 -5.360 3.146 1.00 0.00 C ATOM 1611 CG1 VAL A 112 9.748 -4.405 2.213 1.00 0.00 C ATOM 1612 CG2 VAL A 112 11.958 -5.471 2.675 1.00 0.00 C ATOM 0 H VAL A 112 9.152 -6.507 4.895 1.00 0.00 H new ATOM 0 HA VAL A 112 11.512 -4.842 4.976 1.00 0.00 H new ATOM 0 HB VAL A 112 10.015 -6.332 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.785 -4.787 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.709 -4.331 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.210 -3.419 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.980 -5.821 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.437 -4.494 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.493 -6.178 3.309 1.00 0.00 H new ATOM 1622 N VAL A 113 8.614 -3.312 4.643 1.00 0.00 N ATOM 1623 CA VAL A 113 7.992 -1.960 4.740 1.00 0.00 C ATOM 1624 C VAL A 113 8.182 -1.407 6.153 1.00 0.00 C ATOM 1625 O VAL A 113 8.010 -0.229 6.397 1.00 0.00 O ATOM 1626 CB VAL A 113 6.496 -2.067 4.437 1.00 0.00 C ATOM 1627 CG1 VAL A 113 5.805 -0.752 4.802 1.00 0.00 C ATOM 1628 CG2 VAL A 113 6.296 -2.353 2.947 1.00 0.00 C ATOM 0 H VAL A 113 7.957 -4.083 4.522 1.00 0.00 H new ATOM 0 HA VAL A 113 8.466 -1.292 4.021 1.00 0.00 H new ATOM 0 HB VAL A 113 6.064 -2.878 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.739 -0.829 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.946 -0.549 5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.236 0.060 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.230 -2.429 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.728 -1.543 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.787 -3.291 2.687 1.00 0.00 H new ATOM 1638 N GLU A 114 8.532 -2.247 7.087 1.00 0.00 N ATOM 1639 CA GLU A 114 8.728 -1.779 8.481 1.00 0.00 C ATOM 1640 C GLU A 114 9.954 -0.866 8.549 1.00 0.00 C ATOM 1641 O GLU A 114 9.851 0.303 8.863 1.00 0.00 O ATOM 1642 CB GLU A 114 8.936 -3.000 9.377 1.00 0.00 C ATOM 1643 CG GLU A 114 9.364 -2.558 10.773 1.00 0.00 C ATOM 1644 CD GLU A 114 8.128 -2.183 11.593 1.00 0.00 C ATOM 1645 OE1 GLU A 114 7.329 -3.066 11.859 1.00 0.00 O ATOM 1646 OE2 GLU A 114 8.003 -1.021 11.943 1.00 0.00 O ATOM 0 H GLU A 114 8.691 -3.244 6.940 1.00 0.00 H new ATOM 0 HA GLU A 114 7.855 -1.218 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.014 -3.578 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.694 -3.653 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.912 -3.360 11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.040 -1.706 10.705 1.00 0.00 H new ATOM 1653 N LYS A 115 11.115 -1.389 8.263 1.00 0.00 N ATOM 1654 CA LYS A 115 12.345 -0.546 8.319 1.00 0.00 C ATOM 1655 C LYS A 115 12.297 0.513 7.215 1.00 0.00 C ATOM 1656 O LYS A 115 12.883 1.572 7.329 1.00 0.00 O ATOM 1657 CB LYS A 115 13.577 -1.435 8.120 1.00 0.00 C ATOM 1658 CG LYS A 115 14.673 -1.024 9.106 1.00 0.00 C ATOM 1659 CD LYS A 115 15.766 -0.250 8.366 1.00 0.00 C ATOM 1660 CE LYS A 115 16.847 -1.224 7.893 1.00 0.00 C ATOM 1661 NZ LYS A 115 17.733 -1.574 9.039 1.00 0.00 N ATOM 0 H LYS A 115 11.266 -2.361 7.994 1.00 0.00 H new ATOM 0 HA LYS A 115 12.401 -0.051 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.311 -2.481 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.942 -1.344 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.250 -0.407 9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.098 -1.908 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.339 0.279 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.202 0.503 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.388 -2.125 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.432 -0.774 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.714 -1.664 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.680 -0.826 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.424 -2.476 9.454 1.00 0.00 H new ATOM 1675 N LEU A 116 11.607 0.236 6.142 1.00 0.00 N ATOM 1676 CA LEU A 116 11.527 1.222 5.027 1.00 0.00 C ATOM 1677 C LEU A 116 10.873 2.519 5.516 1.00 0.00 C ATOM 1678 O LEU A 116 11.356 3.604 5.255 1.00 0.00 O ATOM 1679 CB LEU A 116 10.691 0.632 3.889 1.00 0.00 C ATOM 1680 CG LEU A 116 11.346 0.965 2.547 1.00 0.00 C ATOM 1681 CD1 LEU A 116 11.705 2.451 2.507 1.00 0.00 C ATOM 1682 CD2 LEU A 116 12.617 0.130 2.381 1.00 0.00 C ATOM 0 H LEU A 116 11.094 -0.632 5.989 1.00 0.00 H new ATOM 0 HA LEU A 116 12.534 1.442 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.608 -0.448 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.679 1.035 3.921 1.00 0.00 H new ATOM 0 HG LEU A 116 10.651 0.738 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.172 2.687 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.800 3.047 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.399 2.679 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.085 0.366 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.310 0.358 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.362 -0.930 2.409 1.00 0.00 H new ATOM 1694 N ALA A 117 9.774 2.418 6.215 1.00 0.00 N ATOM 1695 CA ALA A 117 9.089 3.647 6.708 1.00 0.00 C ATOM 1696 C ALA A 117 9.816 4.191 7.941 1.00 0.00 C ATOM 1697 O ALA A 117 9.863 5.383 8.168 1.00 0.00 O ATOM 1698 CB ALA A 117 7.644 3.312 7.081 1.00 0.00 C ATOM 0 H ALA A 117 9.322 1.539 6.465 1.00 0.00 H new ATOM 0 HA ALA A 117 9.101 4.401 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.144 4.211 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.120 2.932 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.637 2.554 7.864 1.00 0.00 H new ATOM 1704 N ASP A 118 10.374 3.328 8.743 1.00 0.00 N ATOM 1705 CA ASP A 118 11.087 3.801 9.963 1.00 0.00 C ATOM 1706 C ASP A 118 12.196 4.782 9.570 1.00 0.00 C ATOM 1707 O ASP A 118 12.696 5.526 10.389 1.00 0.00 O ATOM 1708 CB ASP A 118 11.697 2.601 10.693 1.00 0.00 C ATOM 1709 CG ASP A 118 10.575 1.697 11.207 1.00 0.00 C ATOM 1710 OD1 ASP A 118 9.431 1.958 10.869 1.00 0.00 O ATOM 1711 OD2 ASP A 118 10.877 0.762 11.929 1.00 0.00 O ATOM 0 H ASP A 118 10.368 2.317 8.607 1.00 0.00 H new ATOM 0 HA ASP A 118 10.380 4.307 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.348 2.044 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.314 2.942 11.524 1.00 0.00 H new ATOM 1716 N TYR A 119 12.588 4.784 8.326 1.00 0.00 N ATOM 1717 CA TYR A 119 13.669 5.713 7.885 1.00 0.00 C ATOM 1718 C TYR A 119 13.060 7.043 7.408 1.00 0.00 C ATOM 1719 O TYR A 119 13.399 8.102 7.899 1.00 0.00 O ATOM 1720 CB TYR A 119 14.466 5.045 6.748 1.00 0.00 C ATOM 1721 CG TYR A 119 14.985 6.078 5.770 1.00 0.00 C ATOM 1722 CD1 TYR A 119 15.770 7.144 6.225 1.00 0.00 C ATOM 1723 CD2 TYR A 119 14.672 5.969 4.410 1.00 0.00 C ATOM 1724 CE1 TYR A 119 16.244 8.100 5.317 1.00 0.00 C ATOM 1725 CE2 TYR A 119 15.146 6.924 3.503 1.00 0.00 C ATOM 1726 CZ TYR A 119 15.931 7.989 3.957 1.00 0.00 C ATOM 1727 OH TYR A 119 16.397 8.930 3.062 1.00 0.00 O ATOM 0 H TYR A 119 12.207 4.183 7.595 1.00 0.00 H new ATOM 0 HA TYR A 119 14.338 5.926 8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 119 15.301 4.483 7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 119 13.831 4.330 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 119 16.010 7.229 7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 119 14.064 5.147 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 119 16.851 8.922 5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 119 14.906 6.839 2.454 1.00 0.00 H new ATOM 0 HH TYR A 119 16.089 8.704 2.159 1.00 0.00 H new ATOM 1737 N LEU A 120 12.185 6.997 6.441 1.00 0.00 N ATOM 1738 CA LEU A 120 11.581 8.257 5.914 1.00 0.00 C ATOM 1739 C LEU A 120 10.620 8.868 6.941 1.00 0.00 C ATOM 1740 O LEU A 120 10.055 9.920 6.718 1.00 0.00 O ATOM 1741 CB LEU A 120 10.821 7.944 4.625 1.00 0.00 C ATOM 1742 CG LEU A 120 11.684 8.316 3.419 1.00 0.00 C ATOM 1743 CD1 LEU A 120 11.476 7.287 2.307 1.00 0.00 C ATOM 1744 CD2 LEU A 120 11.286 9.704 2.912 1.00 0.00 C ATOM 0 H LEU A 120 11.861 6.141 5.991 1.00 0.00 H new ATOM 0 HA LEU A 120 12.376 8.976 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.565 6.885 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 120 9.883 8.499 4.599 1.00 0.00 H new ATOM 0 HG LEU A 120 12.733 8.326 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 120 12.091 7.552 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 120 11.762 6.299 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.426 7.276 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.902 9.968 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 120 10.236 9.697 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.436 10.437 3.704 1.00 0.00 H new ATOM 1756 N ILE A 121 10.430 8.229 8.061 1.00 0.00 N ATOM 1757 CA ILE A 121 9.505 8.794 9.086 1.00 0.00 C ATOM 1758 C ILE A 121 10.144 10.050 9.697 1.00 0.00 C ATOM 1759 O ILE A 121 9.470 11.012 10.005 1.00 0.00 O ATOM 1760 CB ILE A 121 9.226 7.720 10.162 1.00 0.00 C ATOM 1761 CG1 ILE A 121 7.751 7.316 10.092 1.00 0.00 C ATOM 1762 CG2 ILE A 121 9.532 8.241 11.573 1.00 0.00 C ATOM 1763 CD1 ILE A 121 7.614 6.019 9.293 1.00 0.00 C ATOM 0 H ILE A 121 10.872 7.345 8.312 1.00 0.00 H new ATOM 0 HA ILE A 121 8.555 9.078 8.634 1.00 0.00 H new ATOM 0 HB ILE A 121 9.873 6.865 9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 121 7.352 7.180 11.097 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.168 8.108 9.622 1.00 0.00 H new ATOM 0 HG21 ILE A 121 9.324 7.459 12.303 1.00 0.00 H new ATOM 0 HG22 ILE A 121 10.582 8.526 11.636 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.907 9.109 11.784 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.564 5.731 9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.997 6.171 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.184 5.229 9.782 1.00 0.00 H new ATOM 1775 N GLY A 122 11.437 10.044 9.875 1.00 0.00 N ATOM 1776 CA GLY A 122 12.111 11.235 10.465 1.00 0.00 C ATOM 1777 C GLY A 122 12.925 11.949 9.385 1.00 0.00 C ATOM 1778 O GLY A 122 14.041 12.370 9.614 1.00 0.00 O ATOM 0 H GLY A 122 12.055 9.268 9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.369 11.915 10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 122 12.763 10.929 11.283 1.00 0.00 H new ATOM 1782 N GLN A 123 12.377 12.090 8.209 1.00 0.00 N ATOM 1783 CA GLN A 123 13.125 12.778 7.121 1.00 0.00 C ATOM 1784 C GLN A 123 12.149 13.535 6.217 1.00 0.00 C ATOM 1785 O GLN A 123 11.933 14.720 6.377 1.00 0.00 O ATOM 1786 CB GLN A 123 13.891 11.744 6.292 1.00 0.00 C ATOM 1787 CG GLN A 123 15.166 11.340 7.036 1.00 0.00 C ATOM 1788 CD GLN A 123 16.210 12.451 6.903 1.00 0.00 C ATOM 1789 OE1 GLN A 123 16.650 12.759 5.813 1.00 0.00 O ATOM 1790 NE2 GLN A 123 16.626 13.071 7.973 1.00 0.00 N ATOM 0 H GLN A 123 11.446 11.759 7.956 1.00 0.00 H new ATOM 0 HA GLN A 123 13.828 13.485 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 123 13.267 10.868 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 123 14.142 12.158 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.944 11.159 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 123 15.558 10.408 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.257 12.813 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 123 17.320 13.814 7.894 1.00 0.00 H new ATOM 1799 N GLY A 124 11.562 12.865 5.260 1.00 0.00 N ATOM 1800 CA GLY A 124 10.609 13.559 4.348 1.00 0.00 C ATOM 1801 C GLY A 124 9.369 12.691 4.117 1.00 0.00 C ATOM 1802 O GLY A 124 9.093 12.272 3.010 1.00 0.00 O ATOM 0 H GLY A 124 11.701 11.872 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 124 10.316 14.517 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 124 11.095 13.772 3.396 1.00 0.00 H new ATOM 1806 N PHE A 125 8.611 12.432 5.147 1.00 0.00 N ATOM 1807 CA PHE A 125 7.381 11.608 4.987 1.00 0.00 C ATOM 1808 C PHE A 125 7.699 10.367 4.150 1.00 0.00 C ATOM 1809 O PHE A 125 7.997 9.341 4.738 1.00 0.00 O ATOM 1810 CB PHE A 125 6.298 12.429 4.281 1.00 0.00 C ATOM 1811 CG PHE A 125 6.602 13.906 4.397 1.00 0.00 C ATOM 1812 CD1 PHE A 125 6.195 14.621 5.530 1.00 0.00 C ATOM 1813 CD2 PHE A 125 7.291 14.557 3.367 1.00 0.00 C ATOM 1814 CE1 PHE A 125 6.479 15.989 5.632 1.00 0.00 C ATOM 1815 CE2 PHE A 125 7.574 15.924 3.469 1.00 0.00 C ATOM 1816 CZ PHE A 125 7.168 16.640 4.602 1.00 0.00 C ATOM 1817 OXT PHE A 125 7.633 10.461 2.935 1.00 0.00 O ATOM 0 H PHE A 125 8.792 12.757 6.097 1.00 0.00 H new ATOM 0 HA PHE A 125 7.024 11.304 5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 125 6.242 12.143 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 125 5.324 12.215 4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 125 5.663 14.119 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.604 14.004 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.166 16.542 6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.105 16.426 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.387 17.695 4.681 1.00 0.00 H new