USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 747 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 97 ASN : amide:sc= -0.334 K(o=-1.6,f=-7.2!) USER MOD Set 1.2: A 103 GLN : amide:sc= -1.27! C(o=-1.6!,f=-2.4!) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.0155 K(o=-3.2,f=-3.9) USER MOD Set 2.2: A 52 ASN : amide:sc= -4.32! C(o=-3.2!,f=-6.2!) USER MOD Set 2.3: A 77 LYS NZ :NH3+ 173:sc= 1.11 (180deg=0.922) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 147:sc= 1.26 (180deg=-0.383!) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 SER OG : rot -173:sc= 0.726 USER MOD Set 4.2: A 71 THR OG1 : rot -112:sc= 0.822 USER MOD Set 5.1: A 48 ASN : amide:sc= -0.683 K(o=-0.61,f=0.042) USER MOD Set 5.2: A 49 ASN : amide:sc= 0.0747 K(o=-0.61,f=-4.6!) USER MOD Set 6.1: A 34 LYS NZ :NH3+ -136:sc= -1.18! (180deg=-5.22!) USER MOD Set 6.2: A 89 SER OG : rot 180:sc= 0.2 USER MOD Set 7.1: A 28 LYS NZ :NH3+ -152:sc= -2.42 (180deg=-5.04!) USER MOD Set 7.2: A 67 TYR OH : rot -155:sc= -0.594 USER MOD Set 8.1: A 16 TYR OH : rot 180:sc= -0.0145 USER MOD Set 8.2: A 19 SER OG : rot -76:sc= 1.22 USER MOD Set 9.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.642 K(o=-0.64,f=0) USER MOD Single : A 13 SER OG : rot -67:sc= 1.27 USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00544 USER MOD Single : A 15 ASN : amide:sc= -0.0144 K(o=-0.014,f=-3.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00231 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.27 K(o=0.27,f=-3.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -130:sc= -4.2! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -22:sc= 0.159 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00822 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -110:sc= 0.455 (180deg=-0.259) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 1.03 (180deg=1.02) USER MOD Single : A 86 TYR OH : rot 101:sc= -0.752! USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0.557 (180deg=0.542) USER MOD Single : A 92 THR OG1 : rot -112:sc= 1.2 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.764! C(o=-0.76!,f=-6.6!) USER MOD Single : A 98 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.5!) USER MOD Single : A 102 TYR OH : rot 84:sc= 0.561 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -122:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -4.169 13.851 8.497 1.00 0.00 N ATOM 44 CA PRO A 4 -2.786 13.638 8.885 1.00 0.00 C ATOM 45 C PRO A 4 -2.577 13.758 10.392 1.00 0.00 C ATOM 46 O PRO A 4 -3.168 14.622 11.046 1.00 0.00 O ATOM 47 CB PRO A 4 -2.033 14.755 8.157 1.00 0.00 C ATOM 48 CG PRO A 4 -3.074 15.742 7.699 1.00 0.00 C ATOM 49 CD PRO A 4 -4.410 15.269 8.214 1.00 0.00 C ATOM 0 HA PRO A 4 -2.446 12.635 8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.311 15.232 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.475 14.358 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.849 16.739 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.085 15.809 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.714 15.813 9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.199 15.405 7.474 1.00 0.00 H new ATOM 57 N SER A 5 -1.734 12.898 10.934 1.00 0.00 N ATOM 58 CA SER A 5 -1.428 12.923 12.354 1.00 0.00 C ATOM 59 C SER A 5 -0.012 12.405 12.589 1.00 0.00 C ATOM 60 O SER A 5 0.898 13.177 12.893 1.00 0.00 O ATOM 61 CB SER A 5 -2.454 12.088 13.133 1.00 0.00 C ATOM 62 OG SER A 5 -2.251 12.187 14.533 1.00 0.00 O ATOM 0 H SER A 5 -1.247 12.171 10.410 1.00 0.00 H new ATOM 0 HA SER A 5 -1.484 13.950 12.714 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.461 12.424 12.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.382 11.044 12.827 1.00 0.00 H new ATOM 0 HG SER A 5 -2.921 11.646 15.000 1.00 0.00 H new ATOM 68 N SER A 6 0.173 11.104 12.411 1.00 0.00 N ATOM 69 CA SER A 6 1.461 10.480 12.620 1.00 0.00 C ATOM 70 C SER A 6 1.899 9.721 11.367 1.00 0.00 C ATOM 71 O SER A 6 3.046 9.821 10.932 1.00 0.00 O ATOM 72 CB SER A 6 1.363 9.529 13.805 1.00 0.00 C ATOM 73 OG SER A 6 0.826 10.189 14.939 1.00 0.00 O ATOM 0 H SER A 6 -0.563 10.460 12.120 1.00 0.00 H new ATOM 0 HA SER A 6 2.206 11.248 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.734 8.678 13.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.351 9.134 14.043 1.00 0.00 H new ATOM 0 HG SER A 6 0.770 9.559 15.688 1.00 0.00 H new ATOM 79 N ALA A 7 0.973 8.972 10.784 1.00 0.00 N ATOM 80 CA ALA A 7 1.254 8.193 9.600 1.00 0.00 C ATOM 81 C ALA A 7 1.037 9.031 8.347 1.00 0.00 C ATOM 82 O ALA A 7 0.057 9.765 8.240 1.00 0.00 O ATOM 83 CB ALA A 7 0.358 6.973 9.580 1.00 0.00 C ATOM 0 H ALA A 7 0.014 8.892 11.121 1.00 0.00 H new ATOM 0 HA ALA A 7 2.296 7.875 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.567 6.383 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.546 6.369 10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.685 7.288 9.570 1.00 0.00 H new ATOM 89 N SER A 8 1.966 8.921 7.408 1.00 0.00 N ATOM 90 CA SER A 8 1.886 9.663 6.159 1.00 0.00 C ATOM 91 C SER A 8 0.965 8.960 5.169 1.00 0.00 C ATOM 92 O SER A 8 0.516 9.557 4.192 1.00 0.00 O ATOM 93 CB SER A 8 3.283 9.816 5.550 1.00 0.00 C ATOM 94 OG SER A 8 4.173 10.424 6.472 1.00 0.00 O ATOM 0 H SER A 8 2.787 8.322 7.489 1.00 0.00 H new ATOM 0 HA SER A 8 1.475 10.650 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.666 8.838 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.225 10.418 4.643 1.00 0.00 H new ATOM 0 HG SER A 8 5.059 10.510 6.063 1.00 0.00 H new ATOM 100 N VAL A 9 0.688 7.693 5.430 1.00 0.00 N ATOM 101 CA VAL A 9 -0.119 6.885 4.537 1.00 0.00 C ATOM 102 C VAL A 9 -0.979 5.903 5.327 1.00 0.00 C ATOM 103 O VAL A 9 -0.613 5.476 6.421 1.00 0.00 O ATOM 104 CB VAL A 9 0.775 6.126 3.527 1.00 0.00 C ATOM 105 CG1 VAL A 9 1.970 5.520 4.228 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.008 5.038 2.788 1.00 0.00 C ATOM 0 H VAL A 9 1.015 7.200 6.261 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.778 7.551 3.981 1.00 0.00 H new ATOM 0 HB VAL A 9 1.115 6.855 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.587 4.990 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.557 6.311 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.628 4.822 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.675 4.532 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.381 4.316 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.820 5.486 2.238 1.00 0.00 H new ATOM 116 N GLN A 10 -2.130 5.585 4.765 1.00 0.00 N ATOM 117 CA GLN A 10 -3.047 4.622 5.344 1.00 0.00 C ATOM 118 C GLN A 10 -3.701 3.825 4.225 1.00 0.00 C ATOM 119 O GLN A 10 -4.162 4.398 3.239 1.00 0.00 O ATOM 120 CB GLN A 10 -4.120 5.343 6.165 1.00 0.00 C ATOM 121 CG GLN A 10 -5.160 4.413 6.774 1.00 0.00 C ATOM 122 CD GLN A 10 -6.305 5.162 7.429 1.00 0.00 C ATOM 123 OE1 GLN A 10 -7.434 4.673 7.475 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.032 6.357 7.930 1.00 0.00 N ATOM 0 H GLN A 10 -2.457 5.991 3.888 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.498 3.949 6.003 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.636 5.904 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.625 6.069 5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.556 3.760 5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.680 3.773 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.084 6.729 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.770 6.905 8.373 1.00 0.00 H new ATOM 133 N LEU A 11 -3.712 2.513 4.349 1.00 0.00 N ATOM 134 CA LEU A 11 -4.392 1.681 3.374 1.00 0.00 C ATOM 135 C LEU A 11 -5.893 1.864 3.485 1.00 0.00 C ATOM 136 O LEU A 11 -6.465 1.832 4.577 1.00 0.00 O ATOM 137 CB LEU A 11 -4.043 0.215 3.574 1.00 0.00 C ATOM 138 CG LEU A 11 -4.675 -0.743 2.565 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.121 -0.501 1.172 1.00 0.00 C ATOM 140 CD2 LEU A 11 -4.429 -2.173 2.999 1.00 0.00 C ATOM 0 H LEU A 11 -3.262 2.002 5.109 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.062 1.987 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.960 0.105 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.350 -0.083 4.577 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.749 -0.563 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.585 -1.194 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.337 0.523 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.042 -0.658 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.880 -2.855 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.356 -2.358 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.873 -2.337 3.981 1.00 0.00 H new ATOM 152 N ASP A 12 -6.527 2.059 2.342 1.00 0.00 N ATOM 153 CA ASP A 12 -7.960 2.267 2.295 1.00 0.00 C ATOM 154 C ASP A 12 -8.689 0.942 2.391 1.00 0.00 C ATOM 155 O ASP A 12 -9.436 0.698 3.334 1.00 0.00 O ATOM 156 CB ASP A 12 -8.350 2.973 0.999 1.00 0.00 C ATOM 157 CG ASP A 12 -9.821 3.333 0.956 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.198 4.399 1.482 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.605 2.555 0.373 1.00 0.00 O ATOM 0 H ASP A 12 -6.068 2.077 1.431 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.244 2.892 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.754 3.879 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.112 2.329 0.152 1.00 0.00 H new ATOM 164 N SER A 13 -8.436 0.078 1.420 1.00 0.00 N ATOM 165 CA SER A 13 -9.150 -1.197 1.324 1.00 0.00 C ATOM 166 C SER A 13 -8.651 -2.051 0.163 1.00 0.00 C ATOM 167 O SER A 13 -7.978 -1.566 -0.746 1.00 0.00 O ATOM 168 CB SER A 13 -10.657 -0.947 1.181 1.00 0.00 C ATOM 169 OG SER A 13 -10.934 -0.063 0.103 1.00 0.00 O ATOM 0 H SER A 13 -7.744 0.231 0.686 1.00 0.00 H new ATOM 0 HA SER A 13 -8.955 -1.749 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.171 -1.894 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.048 -0.527 2.108 1.00 0.00 H new ATOM 0 HG SER A 13 -10.582 0.827 0.311 1.00 0.00 H new ATOM 175 N TYR A 14 -8.979 -3.335 0.238 1.00 0.00 N ATOM 176 CA TYR A 14 -8.614 -4.322 -0.768 1.00 0.00 C ATOM 177 C TYR A 14 -9.567 -5.505 -0.665 1.00 0.00 C ATOM 178 O TYR A 14 -10.263 -5.651 0.341 1.00 0.00 O ATOM 179 CB TYR A 14 -7.170 -4.778 -0.559 1.00 0.00 C ATOM 180 CG TYR A 14 -6.897 -5.336 0.819 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.075 -6.679 1.084 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.443 -4.524 1.840 1.00 0.00 C ATOM 183 CE1 TYR A 14 -6.806 -7.207 2.328 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.175 -5.037 3.096 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.356 -6.383 3.335 1.00 0.00 C ATOM 186 OH TYR A 14 -6.085 -6.904 4.580 1.00 0.00 O ATOM 0 H TYR A 14 -9.515 -3.725 1.013 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.689 -3.881 -1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.928 -5.538 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.503 -3.934 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.433 -7.330 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.295 -3.470 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.947 -8.262 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.826 -4.387 3.885 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.776 -6.188 5.174 1.00 0.00 H new ATOM 196 N ASN A 15 -9.609 -6.331 -1.693 1.00 0.00 N ATOM 197 CA ASN A 15 -10.453 -7.517 -1.682 1.00 0.00 C ATOM 198 C ASN A 15 -9.816 -8.623 -2.504 1.00 0.00 C ATOM 199 O ASN A 15 -8.927 -8.379 -3.325 1.00 0.00 O ATOM 200 CB ASN A 15 -11.852 -7.196 -2.224 1.00 0.00 C ATOM 201 CG ASN A 15 -12.829 -8.358 -2.104 1.00 0.00 C ATOM 202 OD1 ASN A 15 -12.733 -9.181 -1.187 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.785 -8.424 -3.018 1.00 0.00 N ATOM 0 H ASN A 15 -9.069 -6.205 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.553 -7.855 -0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.253 -6.337 -1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.770 -6.907 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.476 -9.174 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.831 -7.725 -3.760 1.00 0.00 H new ATOM 210 N TYR A 16 -10.283 -9.832 -2.271 1.00 0.00 N ATOM 211 CA TYR A 16 -9.800 -11.005 -2.969 1.00 0.00 C ATOM 212 C TYR A 16 -10.979 -11.708 -3.614 1.00 0.00 C ATOM 213 O TYR A 16 -12.066 -11.772 -3.035 1.00 0.00 O ATOM 214 CB TYR A 16 -9.103 -11.961 -2.003 1.00 0.00 C ATOM 215 CG TYR A 16 -8.224 -13.001 -2.667 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.958 -12.674 -3.129 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.656 -14.313 -2.818 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.146 -13.619 -3.723 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.849 -15.266 -3.414 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.594 -14.912 -3.864 1.00 0.00 C ATOM 221 OH TYR A 16 -5.784 -15.855 -4.456 1.00 0.00 O ATOM 0 H TYR A 16 -11.014 -10.030 -1.587 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.080 -10.698 -3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.494 -11.378 -1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.860 -12.471 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.601 -11.661 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.637 -14.593 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.163 -13.344 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.200 -16.281 -3.526 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.248 -16.718 -4.478 1.00 0.00 H new ATOM 231 N ASP A 17 -10.761 -12.246 -4.793 1.00 0.00 N ATOM 232 CA ASP A 17 -11.832 -12.876 -5.551 1.00 0.00 C ATOM 233 C ASP A 17 -11.240 -13.789 -6.605 1.00 0.00 C ATOM 234 O ASP A 17 -10.444 -13.343 -7.430 1.00 0.00 O ATOM 235 CB ASP A 17 -12.727 -11.818 -6.201 1.00 0.00 C ATOM 236 CG ASP A 17 -13.985 -12.410 -6.804 1.00 0.00 C ATOM 237 OD1 ASP A 17 -14.958 -12.633 -6.052 1.00 0.00 O ATOM 238 OD2 ASP A 17 -14.011 -12.647 -8.030 1.00 0.00 O ATOM 0 H ASP A 17 -9.851 -12.263 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.446 -13.467 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.002 -11.072 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.165 -11.300 -6.978 1.00 0.00 H new ATOM 243 N GLY A 18 -11.634 -15.059 -6.583 1.00 0.00 N ATOM 244 CA GLY A 18 -10.963 -16.054 -7.399 1.00 0.00 C ATOM 245 C GLY A 18 -9.497 -16.112 -7.042 1.00 0.00 C ATOM 246 O GLY A 18 -9.122 -16.658 -6.006 1.00 0.00 O ATOM 0 H GLY A 18 -12.404 -15.416 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.422 -17.031 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.079 -15.809 -8.455 1.00 0.00 H new ATOM 250 N SER A 19 -8.672 -15.538 -7.892 1.00 0.00 N ATOM 251 CA SER A 19 -7.321 -15.217 -7.523 1.00 0.00 C ATOM 252 C SER A 19 -7.011 -13.834 -8.078 1.00 0.00 C ATOM 253 O SER A 19 -6.419 -13.682 -9.144 1.00 0.00 O ATOM 254 CB SER A 19 -6.385 -16.271 -8.111 1.00 0.00 C ATOM 255 OG SER A 19 -5.054 -16.123 -7.650 1.00 0.00 O ATOM 0 H SER A 19 -8.921 -15.285 -8.848 1.00 0.00 H new ATOM 0 HA SER A 19 -7.188 -15.212 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.750 -17.264 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.401 -16.202 -9.199 1.00 0.00 H new ATOM 0 HG SER A 19 -4.630 -15.369 -8.111 1.00 0.00 H new ATOM 261 N THR A 20 -7.430 -12.830 -7.334 1.00 0.00 N ATOM 262 CA THR A 20 -7.194 -11.444 -7.681 1.00 0.00 C ATOM 263 C THR A 20 -7.047 -10.624 -6.410 1.00 0.00 C ATOM 264 O THR A 20 -7.763 -10.867 -5.438 1.00 0.00 O ATOM 265 CB THR A 20 -8.337 -10.874 -8.549 1.00 0.00 C ATOM 266 OG1 THR A 20 -8.515 -11.690 -9.716 1.00 0.00 O ATOM 267 CG2 THR A 20 -8.039 -9.444 -8.979 1.00 0.00 C ATOM 0 H THR A 20 -7.948 -12.955 -6.464 1.00 0.00 H new ATOM 0 HA THR A 20 -6.276 -11.389 -8.266 1.00 0.00 H new ATOM 0 HB THR A 20 -9.248 -10.876 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.242 -11.325 -10.262 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.861 -9.069 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.925 -8.815 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.117 -9.423 -9.560 1.00 0.00 H new ATOM 275 N PHE A 21 -6.133 -9.677 -6.403 1.00 0.00 N ATOM 276 CA PHE A 21 -5.976 -8.801 -5.259 1.00 0.00 C ATOM 277 C PHE A 21 -6.004 -7.361 -5.724 1.00 0.00 C ATOM 278 O PHE A 21 -5.082 -6.867 -6.359 1.00 0.00 O ATOM 279 CB PHE A 21 -4.684 -9.119 -4.523 1.00 0.00 C ATOM 280 CG PHE A 21 -4.778 -8.891 -3.051 1.00 0.00 C ATOM 281 CD1 PHE A 21 -5.687 -9.600 -2.290 1.00 0.00 C ATOM 282 CD2 PHE A 21 -3.968 -7.966 -2.433 1.00 0.00 C ATOM 283 CE1 PHE A 21 -5.781 -9.393 -0.932 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.057 -7.750 -1.075 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.963 -8.468 -0.324 1.00 0.00 C ATOM 0 H PHE A 21 -5.489 -9.494 -7.173 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.799 -8.958 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.414 -10.159 -4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.881 -8.505 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.331 -10.325 -2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.255 -7.404 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.494 -9.954 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.418 -7.020 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.031 -8.305 0.741 1.00 0.00 H new ATOM 295 N SER A 22 -7.086 -6.705 -5.407 1.00 0.00 N ATOM 296 CA SER A 22 -7.342 -5.366 -5.895 1.00 0.00 C ATOM 297 C SER A 22 -7.890 -4.505 -4.776 1.00 0.00 C ATOM 298 O SER A 22 -8.569 -5.007 -3.878 1.00 0.00 O ATOM 299 CB SER A 22 -8.325 -5.420 -7.071 1.00 0.00 C ATOM 300 OG SER A 22 -9.478 -6.180 -6.736 1.00 0.00 O ATOM 0 H SER A 22 -7.819 -7.078 -4.804 1.00 0.00 H new ATOM 0 HA SER A 22 -6.409 -4.924 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.620 -4.408 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.835 -5.860 -7.940 1.00 0.00 H new ATOM 0 HG SER A 22 -10.091 -6.199 -7.500 1.00 0.00 H new ATOM 306 N GLY A 23 -7.589 -3.223 -4.824 1.00 0.00 N ATOM 307 CA GLY A 23 -8.049 -2.321 -3.801 1.00 0.00 C ATOM 308 C GLY A 23 -7.636 -0.897 -4.080 1.00 0.00 C ATOM 309 O GLY A 23 -7.578 -0.477 -5.237 1.00 0.00 O ATOM 0 H GLY A 23 -7.030 -2.789 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.135 -2.377 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.650 -2.632 -2.836 1.00 0.00 H new ATOM 313 N LYS A 24 -7.333 -0.159 -3.027 1.00 0.00 N ATOM 314 CA LYS A 24 -6.979 1.241 -3.154 1.00 0.00 C ATOM 315 C LYS A 24 -6.322 1.756 -1.880 1.00 0.00 C ATOM 316 O LYS A 24 -6.345 1.093 -0.842 1.00 0.00 O ATOM 317 CB LYS A 24 -8.221 2.050 -3.517 1.00 0.00 C ATOM 318 CG LYS A 24 -9.435 1.714 -2.669 1.00 0.00 C ATOM 319 CD LYS A 24 -10.721 2.232 -3.295 1.00 0.00 C ATOM 320 CE LYS A 24 -10.912 3.715 -3.045 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.503 3.976 -1.706 1.00 0.00 N ATOM 0 H LYS A 24 -7.326 -0.510 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.248 1.355 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.997 3.111 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.462 1.878 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.502 0.634 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.315 2.145 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.704 2.044 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.570 1.683 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.951 4.224 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.559 4.134 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.132 4.873 -1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.538 4.037 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.253 3.201 -1.059 1.00 0.00 H new ATOM 335 N ILE A 25 -5.743 2.944 -1.968 1.00 0.00 N ATOM 336 CA ILE A 25 -4.851 3.443 -0.928 1.00 0.00 C ATOM 337 C ILE A 25 -5.110 4.926 -0.653 1.00 0.00 C ATOM 338 O ILE A 25 -5.650 5.642 -1.498 1.00 0.00 O ATOM 339 CB ILE A 25 -3.366 3.262 -1.331 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.147 1.905 -2.007 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.463 3.382 -0.110 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.728 1.680 -2.483 1.00 0.00 C ATOM 0 H ILE A 25 -5.875 3.584 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.053 2.864 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.112 4.050 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.415 1.114 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.823 1.820 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.424 3.252 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.590 4.366 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.729 2.613 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.652 0.698 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.461 2.449 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.047 1.731 -1.634 1.00 0.00 H new ATOM 354 N TYR A 26 -4.709 5.368 0.529 1.00 0.00 N ATOM 355 CA TYR A 26 -4.938 6.728 0.986 1.00 0.00 C ATOM 356 C TYR A 26 -3.633 7.295 1.573 1.00 0.00 C ATOM 357 O TYR A 26 -3.311 7.036 2.731 1.00 0.00 O ATOM 358 CB TYR A 26 -6.035 6.659 2.054 1.00 0.00 C ATOM 359 CG TYR A 26 -6.722 7.959 2.383 1.00 0.00 C ATOM 360 CD1 TYR A 26 -6.034 9.002 2.973 1.00 0.00 C ATOM 361 CD2 TYR A 26 -8.080 8.123 2.135 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.675 10.178 3.309 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.728 9.297 2.461 1.00 0.00 C ATOM 364 CZ TYR A 26 -8.023 10.322 3.050 1.00 0.00 C ATOM 365 OH TYR A 26 -8.667 11.490 3.388 1.00 0.00 O ATOM 0 H TYR A 26 -4.211 4.787 1.203 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.247 7.382 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.790 5.946 1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.598 6.260 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.978 8.896 3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.637 7.318 1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.123 10.982 3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.782 9.411 2.255 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.612 11.427 3.136 1.00 0.00 H new ATOM 375 N VAL A 27 -2.867 8.059 0.790 1.00 0.00 N ATOM 376 CA VAL A 27 -1.532 8.479 1.246 1.00 0.00 C ATOM 377 C VAL A 27 -1.261 9.951 0.952 1.00 0.00 C ATOM 378 O VAL A 27 -1.775 10.511 -0.012 1.00 0.00 O ATOM 379 CB VAL A 27 -0.384 7.595 0.656 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.917 6.448 -0.173 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.620 8.383 -0.163 1.00 0.00 C ATOM 0 H VAL A 27 -3.134 8.393 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.538 8.338 2.327 1.00 0.00 H new ATOM 0 HB VAL A 27 0.136 7.195 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.084 5.862 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.549 5.813 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.503 6.841 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.389 7.710 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.111 8.861 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.083 9.145 0.464 1.00 0.00 H new ATOM 391 N LYS A 28 -0.457 10.564 1.815 1.00 0.00 N ATOM 392 CA LYS A 28 -0.064 11.959 1.672 1.00 0.00 C ATOM 393 C LYS A 28 1.324 12.045 1.056 1.00 0.00 C ATOM 394 O LYS A 28 2.235 11.335 1.475 1.00 0.00 O ATOM 395 CB LYS A 28 -0.073 12.630 3.047 1.00 0.00 C ATOM 396 CG LYS A 28 0.324 14.097 3.044 1.00 0.00 C ATOM 397 CD LYS A 28 0.030 14.772 4.384 1.00 0.00 C ATOM 398 CE LYS A 28 0.961 14.311 5.506 1.00 0.00 C ATOM 399 NZ LYS A 28 0.741 12.892 5.913 1.00 0.00 N ATOM 0 H LYS A 28 -0.059 10.105 2.635 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.769 12.471 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.072 12.540 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.605 12.086 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.387 14.185 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.213 14.617 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.119 15.852 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.002 14.566 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.995 14.433 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.820 14.956 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.011 12.771 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.263 12.648 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.322 12.266 5.319 1.00 0.00 H new ATOM 413 N ASN A 29 1.477 12.910 0.067 1.00 0.00 N ATOM 414 CA ASN A 29 2.739 13.047 -0.648 1.00 0.00 C ATOM 415 C ASN A 29 3.667 14.047 0.030 1.00 0.00 C ATOM 416 O ASN A 29 3.329 15.222 0.186 1.00 0.00 O ATOM 417 CB ASN A 29 2.484 13.484 -2.095 1.00 0.00 C ATOM 418 CG ASN A 29 1.893 12.375 -2.944 1.00 0.00 C ATOM 419 OD1 ASN A 29 2.172 11.199 -2.724 1.00 0.00 O ATOM 420 ND2 ASN A 29 1.071 12.744 -3.912 1.00 0.00 N ATOM 0 H ASN A 29 0.739 13.532 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 29 3.226 12.072 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.808 14.339 -2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.421 13.817 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.641 12.040 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.867 13.733 -4.059 1.00 0.00 H new ATOM 427 N ILE A 30 4.837 13.561 0.436 1.00 0.00 N ATOM 428 CA ILE A 30 5.894 14.417 0.970 1.00 0.00 C ATOM 429 C ILE A 30 6.349 15.367 -0.125 1.00 0.00 C ATOM 430 O ILE A 30 6.515 16.567 0.077 1.00 0.00 O ATOM 431 CB ILE A 30 7.112 13.584 1.433 1.00 0.00 C ATOM 432 CG1 ILE A 30 6.680 12.427 2.341 1.00 0.00 C ATOM 433 CG2 ILE A 30 8.122 14.472 2.136 1.00 0.00 C ATOM 434 CD1 ILE A 30 5.901 12.852 3.565 1.00 0.00 C ATOM 0 H ILE A 30 5.079 12.571 0.405 1.00 0.00 H new ATOM 0 HA ILE A 30 5.498 14.961 1.827 1.00 0.00 H new ATOM 0 HB ILE A 30 7.584 13.153 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.072 11.733 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.568 11.881 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.974 13.872 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.462 15.249 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.656 14.934 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.635 11.972 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.512 13.521 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.993 13.370 3.257 1.00 0.00 H new ATOM 446 N ALA A 31 6.530 14.775 -1.283 1.00 0.00 N ATOM 447 CA ALA A 31 6.806 15.463 -2.513 1.00 0.00 C ATOM 448 C ALA A 31 5.953 14.772 -3.550 1.00 0.00 C ATOM 449 O ALA A 31 5.773 13.566 -3.467 1.00 0.00 O ATOM 450 CB ALA A 31 8.284 15.383 -2.863 1.00 0.00 C ATOM 0 H ALA A 31 6.486 13.762 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 31 6.575 16.526 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.465 15.912 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.872 15.841 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.576 14.339 -2.974 1.00 0.00 H new ATOM 456 N TYR A 32 5.424 15.497 -4.498 1.00 0.00 N ATOM 457 CA TYR A 32 4.341 14.978 -5.316 1.00 0.00 C ATOM 458 C TYR A 32 4.715 13.713 -6.098 1.00 0.00 C ATOM 459 O TYR A 32 3.935 12.767 -6.151 1.00 0.00 O ATOM 460 CB TYR A 32 3.836 16.064 -6.245 1.00 0.00 C ATOM 461 CG TYR A 32 2.559 15.684 -6.951 1.00 0.00 C ATOM 462 CD1 TYR A 32 1.399 15.466 -6.228 1.00 0.00 C ATOM 463 CD2 TYR A 32 2.516 15.524 -8.330 1.00 0.00 C ATOM 464 CE1 TYR A 32 0.230 15.098 -6.853 1.00 0.00 C ATOM 465 CE2 TYR A 32 1.344 15.158 -8.964 1.00 0.00 C ATOM 466 CZ TYR A 32 0.204 14.942 -8.218 1.00 0.00 C ATOM 467 OH TYR A 32 -0.968 14.570 -8.835 1.00 0.00 O ATOM 0 H TYR A 32 5.718 16.446 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 32 3.544 14.676 -4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.671 16.977 -5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.603 16.287 -6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.412 15.587 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.410 15.688 -8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.665 14.932 -6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.321 15.042 -10.037 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.822 14.503 -9.802 1.00 0.00 H new ATOM 477 N SER A 33 5.903 13.679 -6.682 1.00 0.00 N ATOM 478 CA SER A 33 6.311 12.523 -7.475 1.00 0.00 C ATOM 479 C SER A 33 6.801 11.372 -6.587 1.00 0.00 C ATOM 480 O SER A 33 7.994 11.069 -6.546 1.00 0.00 O ATOM 481 CB SER A 33 7.401 12.924 -8.470 1.00 0.00 C ATOM 482 OG SER A 33 6.950 13.966 -9.323 1.00 0.00 O ATOM 0 H SER A 33 6.595 14.426 -6.625 1.00 0.00 H new ATOM 0 HA SER A 33 5.437 12.170 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.290 13.250 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.690 12.059 -9.067 1.00 0.00 H new ATOM 0 HG SER A 33 7.664 14.208 -9.950 1.00 0.00 H new ATOM 488 N LYS A 34 5.880 10.756 -5.851 1.00 0.00 N ATOM 489 CA LYS A 34 6.200 9.604 -5.018 1.00 0.00 C ATOM 490 C LYS A 34 6.102 8.318 -5.811 1.00 0.00 C ATOM 491 O LYS A 34 5.868 8.333 -7.023 1.00 0.00 O ATOM 492 CB LYS A 34 5.253 9.548 -3.822 1.00 0.00 C ATOM 493 CG LYS A 34 5.336 10.765 -2.921 1.00 0.00 C ATOM 494 CD LYS A 34 6.644 10.845 -2.131 1.00 0.00 C ATOM 495 CE LYS A 34 7.891 10.892 -3.014 1.00 0.00 C ATOM 496 NZ LYS A 34 7.982 12.135 -3.822 1.00 0.00 N ATOM 0 H LYS A 34 4.901 11.039 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 34 7.225 9.712 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.230 9.444 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.475 8.657 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.230 11.665 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.499 10.750 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.623 11.733 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.711 9.983 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.778 10.807 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.890 10.030 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.264 11.897 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.056 12.608 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.689 12.771 -3.402 1.00 0.00 H new ATOM 510 N LYS A 35 6.281 7.209 -5.124 1.00 0.00 N ATOM 511 CA LYS A 35 6.205 5.908 -5.752 1.00 0.00 C ATOM 512 C LYS A 35 5.675 4.911 -4.741 1.00 0.00 C ATOM 513 O LYS A 35 6.184 4.808 -3.625 1.00 0.00 O ATOM 514 CB LYS A 35 7.580 5.504 -6.290 1.00 0.00 C ATOM 515 CG LYS A 35 8.677 5.613 -5.253 1.00 0.00 C ATOM 516 CD LYS A 35 10.069 5.531 -5.862 1.00 0.00 C ATOM 517 CE LYS A 35 10.347 4.178 -6.495 1.00 0.00 C ATOM 518 NZ LYS A 35 11.779 4.042 -6.872 1.00 0.00 N ATOM 0 H LYS A 35 6.481 7.184 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 35 5.523 5.933 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.534 4.478 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.830 6.135 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.574 6.557 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.558 4.816 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.179 6.311 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.812 5.727 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.075 3.385 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.722 4.053 -7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.938 3.108 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.030 4.785 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.372 4.138 -6.023 1.00 0.00 H new ATOM 532 N VAL A 36 4.630 4.204 -5.112 1.00 0.00 N ATOM 533 CA VAL A 36 3.931 3.369 -4.160 1.00 0.00 C ATOM 534 C VAL A 36 3.959 1.927 -4.586 1.00 0.00 C ATOM 535 O VAL A 36 3.486 1.561 -5.667 1.00 0.00 O ATOM 536 CB VAL A 36 2.482 3.836 -3.951 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.772 2.962 -2.950 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.472 5.260 -3.458 1.00 0.00 C ATOM 0 H VAL A 36 4.248 4.190 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 36 4.453 3.461 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 36 1.962 3.768 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.749 3.314 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.759 1.933 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.294 3.005 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.443 5.587 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.011 5.321 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.956 5.903 -4.193 1.00 0.00 H new ATOM 548 N THR A 37 4.509 1.114 -3.718 1.00 0.00 N ATOM 549 CA THR A 37 4.757 -0.263 -4.032 1.00 0.00 C ATOM 550 C THR A 37 4.177 -1.172 -2.962 1.00 0.00 C ATOM 551 O THR A 37 4.562 -1.102 -1.794 1.00 0.00 O ATOM 552 CB THR A 37 6.267 -0.502 -4.167 1.00 0.00 C ATOM 553 OG1 THR A 37 6.920 -0.128 -2.951 1.00 0.00 O ATOM 554 CG2 THR A 37 6.847 0.313 -5.314 1.00 0.00 C ATOM 0 H THR A 37 4.795 1.391 -2.779 1.00 0.00 H new ATOM 0 HA THR A 37 4.271 -0.497 -4.979 1.00 0.00 H new ATOM 0 HB THR A 37 6.429 -1.560 -4.372 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.676 0.461 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.918 0.126 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.363 0.024 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.676 1.374 -5.130 1.00 0.00 H new ATOM 562 N VAL A 38 3.234 -2.000 -3.364 1.00 0.00 N ATOM 563 CA VAL A 38 2.640 -2.969 -2.465 1.00 0.00 C ATOM 564 C VAL A 38 3.511 -4.200 -2.378 1.00 0.00 C ATOM 565 O VAL A 38 3.898 -4.769 -3.394 1.00 0.00 O ATOM 566 CB VAL A 38 1.228 -3.376 -2.921 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.779 -4.678 -2.269 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.249 -2.274 -2.605 1.00 0.00 C ATOM 0 H VAL A 38 2.861 -2.021 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 38 2.561 -2.500 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 38 1.258 -3.539 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.223 -4.932 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.470 -5.477 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.768 -4.558 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.749 -2.569 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.241 -2.092 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.546 -1.363 -3.125 1.00 0.00 H new ATOM 578 N VAL A 39 3.814 -4.603 -1.168 1.00 0.00 N ATOM 579 CA VAL A 39 4.618 -5.797 -0.960 1.00 0.00 C ATOM 580 C VAL A 39 3.866 -6.798 -0.104 1.00 0.00 C ATOM 581 O VAL A 39 3.394 -6.476 0.988 1.00 0.00 O ATOM 582 CB VAL A 39 6.001 -5.489 -0.339 1.00 0.00 C ATOM 583 CG1 VAL A 39 6.878 -4.759 -1.344 1.00 0.00 C ATOM 584 CG2 VAL A 39 5.871 -4.682 0.942 1.00 0.00 C ATOM 0 H VAL A 39 3.521 -4.130 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 39 4.803 -6.228 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 39 6.472 -6.438 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.848 -4.548 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.015 -5.382 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.400 -3.822 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.862 -4.485 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.372 -3.737 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.285 -5.245 1.669 1.00 0.00 H new ATOM 594 N TYR A 40 3.724 -8.005 -0.617 1.00 0.00 N ATOM 595 CA TYR A 40 2.985 -9.025 0.097 1.00 0.00 C ATOM 596 C TYR A 40 3.870 -10.194 0.500 1.00 0.00 C ATOM 597 O TYR A 40 4.858 -10.510 -0.166 1.00 0.00 O ATOM 598 CB TYR A 40 1.775 -9.510 -0.715 1.00 0.00 C ATOM 599 CG TYR A 40 2.052 -9.970 -2.136 1.00 0.00 C ATOM 600 CD1 TYR A 40 2.899 -11.040 -2.402 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.429 -9.350 -3.216 1.00 0.00 C ATOM 602 CE1 TYR A 40 3.128 -11.468 -3.696 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.650 -9.777 -4.507 1.00 0.00 C ATOM 604 CZ TYR A 40 2.501 -10.833 -4.745 1.00 0.00 C ATOM 605 OH TYR A 40 2.727 -11.254 -6.038 1.00 0.00 O ATOM 0 H TYR A 40 4.106 -8.300 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 40 2.616 -8.565 1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.310 -10.334 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.045 -8.702 -0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.387 -11.546 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.761 -8.520 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.795 -12.296 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.156 -9.284 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 40 2.207 -10.701 -6.658 1.00 0.00 H new ATOM 615 N ALA A 41 3.511 -10.826 1.611 1.00 0.00 N ATOM 616 CA ALA A 41 4.192 -12.025 2.071 1.00 0.00 C ATOM 617 C ALA A 41 3.675 -13.207 1.304 1.00 0.00 C ATOM 618 O ALA A 41 3.021 -14.092 1.879 1.00 0.00 O ATOM 619 CB ALA A 41 3.991 -12.266 3.554 1.00 0.00 C ATOM 0 H ALA A 41 2.745 -10.523 2.213 1.00 0.00 H new ATOM 0 HA ALA A 41 5.260 -11.888 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.519 -13.173 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.382 -11.418 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.927 -12.380 3.763 1.00 0.00 H new ATOM 625 N ASP A 42 3.911 -13.124 -0.002 1.00 0.00 N ATOM 626 CA ASP A 42 3.638 -14.192 -0.982 1.00 0.00 C ATOM 627 C ASP A 42 2.388 -14.971 -0.608 1.00 0.00 C ATOM 628 O ASP A 42 1.406 -14.377 -0.203 1.00 0.00 O ATOM 629 CB ASP A 42 4.863 -15.114 -1.071 1.00 0.00 C ATOM 630 CG ASP A 42 4.921 -15.918 -2.355 1.00 0.00 C ATOM 631 OD1 ASP A 42 5.481 -15.416 -3.350 1.00 0.00 O ATOM 632 OD2 ASP A 42 4.421 -17.058 -2.367 1.00 0.00 O ATOM 0 H ASP A 42 4.310 -12.288 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 42 3.454 -13.746 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.768 -14.512 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.855 -15.798 -0.223 1.00 0.00 H new ATOM 637 N GLY A 43 2.409 -16.278 -0.766 1.00 0.00 N ATOM 638 CA GLY A 43 1.355 -17.099 -0.213 1.00 0.00 C ATOM 639 C GLY A 43 1.879 -17.905 0.952 1.00 0.00 C ATOM 640 O GLY A 43 1.150 -18.664 1.587 1.00 0.00 O ATOM 0 H GLY A 43 3.136 -16.789 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.527 -16.470 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.964 -17.767 -0.980 1.00 0.00 H new ATOM 644 N SER A 44 3.152 -17.694 1.252 1.00 0.00 N ATOM 645 CA SER A 44 3.873 -18.520 2.206 1.00 0.00 C ATOM 646 C SER A 44 4.057 -17.832 3.554 1.00 0.00 C ATOM 647 O SER A 44 4.374 -18.497 4.540 1.00 0.00 O ATOM 648 CB SER A 44 5.245 -18.859 1.632 1.00 0.00 C ATOM 649 OG SER A 44 5.974 -19.726 2.488 1.00 0.00 O ATOM 0 H SER A 44 3.712 -16.947 0.841 1.00 0.00 H new ATOM 0 HA SER A 44 3.281 -19.420 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.125 -19.328 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.811 -17.941 1.477 1.00 0.00 H new ATOM 0 HG SER A 44 5.627 -19.652 3.401 1.00 0.00 H new ATOM 655 N ASP A 45 3.881 -16.505 3.578 1.00 0.00 N ATOM 656 CA ASP A 45 4.169 -15.690 4.767 1.00 0.00 C ATOM 657 C ASP A 45 5.678 -15.509 4.858 1.00 0.00 C ATOM 658 O ASP A 45 6.324 -15.871 5.837 1.00 0.00 O ATOM 659 CB ASP A 45 3.582 -16.300 6.060 1.00 0.00 C ATOM 660 CG ASP A 45 3.963 -15.540 7.328 1.00 0.00 C ATOM 661 OD1 ASP A 45 3.616 -14.349 7.449 1.00 0.00 O ATOM 662 OD2 ASP A 45 4.594 -16.145 8.224 1.00 0.00 O ATOM 0 H ASP A 45 3.538 -15.969 2.781 1.00 0.00 H new ATOM 0 HA ASP A 45 3.683 -14.719 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.496 -16.328 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.921 -17.332 6.150 1.00 0.00 H new ATOM 667 N ASN A 46 6.234 -14.982 3.779 1.00 0.00 N ATOM 668 CA ASN A 46 7.663 -14.758 3.674 1.00 0.00 C ATOM 669 C ASN A 46 7.920 -13.706 2.612 1.00 0.00 C ATOM 670 O ASN A 46 7.236 -13.673 1.589 1.00 0.00 O ATOM 671 CB ASN A 46 8.390 -16.057 3.308 1.00 0.00 C ATOM 672 CG ASN A 46 9.899 -15.910 3.363 1.00 0.00 C ATOM 673 OD1 ASN A 46 10.538 -15.543 2.376 1.00 0.00 O ATOM 674 ND2 ASN A 46 10.475 -16.204 4.515 1.00 0.00 N ATOM 0 H ASN A 46 5.706 -14.698 2.953 1.00 0.00 H new ATOM 0 HA ASN A 46 8.043 -14.416 4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.080 -16.849 3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.094 -16.366 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.488 -16.131 4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.907 -16.504 5.307 1.00 0.00 H new ATOM 681 N TRP A 47 8.884 -12.839 2.857 1.00 0.00 N ATOM 682 CA TRP A 47 9.180 -11.768 1.925 1.00 0.00 C ATOM 683 C TRP A 47 10.469 -12.085 1.203 1.00 0.00 C ATOM 684 O TRP A 47 11.551 -11.616 1.554 1.00 0.00 O ATOM 685 CB TRP A 47 9.262 -10.436 2.664 1.00 0.00 C ATOM 686 CG TRP A 47 8.209 -10.331 3.710 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.236 -10.909 4.938 1.00 0.00 C ATOM 688 CD2 TRP A 47 6.967 -9.644 3.611 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.080 -10.626 5.620 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.285 -9.843 4.824 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.367 -8.878 2.615 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.026 -9.304 5.057 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.130 -8.348 2.850 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.469 -8.560 4.056 1.00 0.00 C ATOM 0 H TRP A 47 9.473 -12.855 3.690 1.00 0.00 H new ATOM 0 HA TRP A 47 8.382 -11.683 1.188 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.245 -10.333 3.123 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.154 -9.616 1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.050 -11.506 5.322 1.00 0.00 H new ATOM 0 HE1 TRP A 47 6.851 -10.945 6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.870 -8.706 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.509 -9.467 5.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.655 -7.752 2.084 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.491 -8.126 4.204 1.00 0.00 H new ATOM 705 N ASN A 48 10.318 -12.913 0.199 1.00 0.00 N ATOM 706 CA ASN A 48 11.423 -13.367 -0.629 1.00 0.00 C ATOM 707 C ASN A 48 11.628 -12.403 -1.790 1.00 0.00 C ATOM 708 O ASN A 48 10.686 -11.729 -2.213 1.00 0.00 O ATOM 709 CB ASN A 48 11.108 -14.767 -1.170 1.00 0.00 C ATOM 710 CG ASN A 48 12.306 -15.461 -1.796 1.00 0.00 C ATOM 711 OD1 ASN A 48 12.182 -16.119 -2.830 1.00 0.00 O ATOM 712 ND2 ASN A 48 13.460 -15.357 -1.156 1.00 0.00 N ATOM 0 H ASN A 48 9.415 -13.299 -0.075 1.00 0.00 H new ATOM 0 HA ASN A 48 12.334 -13.403 -0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.725 -15.384 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.314 -14.690 -1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.288 -15.832 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.522 -14.802 -0.302 1.00 0.00 H new ATOM 719 N ASN A 49 12.852 -12.340 -2.304 1.00 0.00 N ATOM 720 CA ASN A 49 13.162 -11.518 -3.474 1.00 0.00 C ATOM 721 C ASN A 49 12.617 -12.170 -4.749 1.00 0.00 C ATOM 722 O ASN A 49 13.312 -12.293 -5.759 1.00 0.00 O ATOM 723 CB ASN A 49 14.678 -11.276 -3.596 1.00 0.00 C ATOM 724 CG ASN A 49 15.500 -12.553 -3.719 1.00 0.00 C ATOM 725 OD1 ASN A 49 15.148 -13.597 -3.167 1.00 0.00 O ATOM 726 ND2 ASN A 49 16.598 -12.481 -4.454 1.00 0.00 N ATOM 0 H ASN A 49 13.651 -12.850 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 49 12.676 -10.551 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.867 -10.649 -4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.018 -10.719 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.184 -13.307 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.859 -11.600 -4.896 1.00 0.00 H new ATOM 733 N ASN A 50 11.354 -12.565 -4.681 1.00 0.00 N ATOM 734 CA ASN A 50 10.674 -13.240 -5.776 1.00 0.00 C ATOM 735 C ASN A 50 10.073 -12.223 -6.745 1.00 0.00 C ATOM 736 O ASN A 50 9.827 -12.521 -7.913 1.00 0.00 O ATOM 737 CB ASN A 50 9.568 -14.144 -5.203 1.00 0.00 C ATOM 738 CG ASN A 50 8.709 -14.802 -6.271 1.00 0.00 C ATOM 739 OD1 ASN A 50 9.191 -15.166 -7.345 1.00 0.00 O ATOM 740 ND2 ASN A 50 7.422 -14.941 -5.991 1.00 0.00 N ATOM 0 H ASN A 50 10.768 -12.425 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 50 11.395 -13.846 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.025 -14.919 -4.588 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.929 -13.552 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.794 -15.362 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.059 -14.628 -5.091 1.00 0.00 H new ATOM 747 N GLY A 51 9.875 -11.011 -6.254 1.00 0.00 N ATOM 748 CA GLY A 51 9.155 -10.012 -7.014 1.00 0.00 C ATOM 749 C GLY A 51 7.759 -9.848 -6.465 1.00 0.00 C ATOM 750 O GLY A 51 6.782 -9.770 -7.206 1.00 0.00 O ATOM 0 H GLY A 51 10.201 -10.700 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.685 -9.060 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.109 -10.305 -8.063 1.00 0.00 H new ATOM 754 N ASN A 52 7.683 -9.777 -5.146 1.00 0.00 N ATOM 755 CA ASN A 52 6.417 -9.803 -4.429 1.00 0.00 C ATOM 756 C ASN A 52 5.874 -8.396 -4.245 1.00 0.00 C ATOM 757 O ASN A 52 5.326 -8.054 -3.195 1.00 0.00 O ATOM 758 CB ASN A 52 6.611 -10.487 -3.072 1.00 0.00 C ATOM 759 CG ASN A 52 6.839 -11.980 -3.212 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.218 -12.465 -4.274 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.648 -12.717 -2.133 1.00 0.00 N ATOM 0 H ASN A 52 8.500 -9.699 -4.540 1.00 0.00 H new ATOM 0 HA ASN A 52 5.691 -10.368 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.461 -10.038 -2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.734 -10.312 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.816 -13.723 -2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.332 -12.281 -1.267 1.00 0.00 H new ATOM 768 N ILE A 53 6.021 -7.590 -5.283 1.00 0.00 N ATOM 769 CA ILE A 53 5.615 -6.203 -5.239 1.00 0.00 C ATOM 770 C ILE A 53 4.677 -5.884 -6.396 1.00 0.00 C ATOM 771 O ILE A 53 4.805 -6.439 -7.491 1.00 0.00 O ATOM 772 CB ILE A 53 6.855 -5.270 -5.257 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.461 -3.783 -5.239 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.736 -5.579 -6.458 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.334 -3.140 -6.609 1.00 0.00 C ATOM 0 H ILE A 53 6.424 -7.881 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 53 5.076 -6.030 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 53 7.421 -5.463 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.510 -3.680 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.204 -3.232 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.601 -4.916 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.073 -6.614 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.167 -5.429 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.053 -2.093 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.288 -3.205 -7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.569 -3.660 -7.185 1.00 0.00 H new ATOM 787 N ILE A 54 3.718 -5.018 -6.131 1.00 0.00 N ATOM 788 CA ILE A 54 2.827 -4.519 -7.163 1.00 0.00 C ATOM 789 C ILE A 54 2.810 -2.994 -7.107 1.00 0.00 C ATOM 790 O ILE A 54 2.782 -2.406 -6.023 1.00 0.00 O ATOM 791 CB ILE A 54 1.388 -5.088 -7.024 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.656 -4.990 -8.356 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.586 -4.389 -5.935 1.00 0.00 C ATOM 794 CD1 ILE A 54 1.123 -6.024 -9.354 1.00 0.00 C ATOM 0 H ILE A 54 3.534 -4.642 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 54 3.201 -4.853 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 54 1.483 -6.134 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.414 -5.110 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.803 -3.994 -8.775 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.411 -4.825 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.089 -4.513 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.505 -3.327 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.568 -5.908 -10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.187 -5.889 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.951 -7.022 -8.951 1.00 0.00 H new ATOM 806 N ALA A 55 2.879 -2.350 -8.260 1.00 0.00 N ATOM 807 CA ALA A 55 2.896 -0.900 -8.296 1.00 0.00 C ATOM 808 C ALA A 55 1.481 -0.346 -8.244 1.00 0.00 C ATOM 809 O ALA A 55 0.593 -0.809 -8.964 1.00 0.00 O ATOM 810 CB ALA A 55 3.625 -0.391 -9.529 1.00 0.00 C ATOM 0 H ALA A 55 2.924 -2.803 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 55 3.437 -0.549 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.622 0.699 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.654 -0.751 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.123 -0.756 -10.425 1.00 0.00 H new ATOM 816 N ALA A 56 1.275 0.626 -7.373 1.00 0.00 N ATOM 817 CA ALA A 56 -0.021 1.265 -7.231 1.00 0.00 C ATOM 818 C ALA A 56 -0.105 2.501 -8.112 1.00 0.00 C ATOM 819 O ALA A 56 0.920 3.034 -8.547 1.00 0.00 O ATOM 820 CB ALA A 56 -0.271 1.633 -5.778 1.00 0.00 C ATOM 0 H ALA A 56 1.994 0.992 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.790 0.562 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.246 2.111 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.250 0.732 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.504 2.321 -5.438 1.00 0.00 H new ATOM 826 N SER A 57 -1.319 2.954 -8.370 1.00 0.00 N ATOM 827 CA SER A 57 -1.538 4.113 -9.208 1.00 0.00 C ATOM 828 C SER A 57 -2.481 5.074 -8.506 1.00 0.00 C ATOM 829 O SER A 57 -3.448 4.659 -7.877 1.00 0.00 O ATOM 830 CB SER A 57 -2.133 3.687 -10.554 1.00 0.00 C ATOM 831 OG SER A 57 -2.216 4.780 -11.454 1.00 0.00 O ATOM 0 H SER A 57 -2.173 2.531 -8.006 1.00 0.00 H new ATOM 0 HA SER A 57 -0.584 4.609 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.519 2.900 -10.992 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.126 3.267 -10.397 1.00 0.00 H new ATOM 0 HG SER A 57 -2.598 4.476 -12.304 1.00 0.00 H new ATOM 837 N PHE A 58 -2.185 6.350 -8.583 1.00 0.00 N ATOM 838 CA PHE A 58 -3.052 7.346 -8.015 1.00 0.00 C ATOM 839 C PHE A 58 -4.060 7.814 -9.049 1.00 0.00 C ATOM 840 O PHE A 58 -3.760 7.887 -10.242 1.00 0.00 O ATOM 841 CB PHE A 58 -2.257 8.515 -7.431 1.00 0.00 C ATOM 842 CG PHE A 58 -1.534 9.333 -8.447 1.00 0.00 C ATOM 843 CD1 PHE A 58 -2.211 10.304 -9.145 1.00 0.00 C ATOM 844 CD2 PHE A 58 -0.189 9.132 -8.709 1.00 0.00 C ATOM 845 CE1 PHE A 58 -1.579 11.063 -10.088 1.00 0.00 C ATOM 846 CE2 PHE A 58 0.461 9.896 -9.658 1.00 0.00 C ATOM 847 CZ PHE A 58 -0.237 10.865 -10.351 1.00 0.00 C ATOM 0 H PHE A 58 -1.349 6.720 -9.035 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.599 6.894 -7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.938 9.162 -6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.534 8.126 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.259 10.469 -8.945 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.355 8.372 -8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.129 11.819 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.510 9.736 -9.857 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.264 11.466 -11.096 1.00 0.00 H new ATOM 857 N SER A 59 -5.266 8.083 -8.589 1.00 0.00 N ATOM 858 CA SER A 59 -6.320 8.581 -9.449 1.00 0.00 C ATOM 859 C SER A 59 -6.358 10.098 -9.375 1.00 0.00 C ATOM 860 O SER A 59 -6.860 10.766 -10.277 1.00 0.00 O ATOM 861 CB SER A 59 -7.668 7.983 -9.040 1.00 0.00 C ATOM 862 OG SER A 59 -7.625 6.564 -9.087 1.00 0.00 O ATOM 0 H SER A 59 -5.541 7.963 -7.614 1.00 0.00 H new ATOM 0 HA SER A 59 -6.118 8.282 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.926 8.310 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.450 8.350 -9.704 1.00 0.00 H new ATOM 0 HG SER A 59 -8.523 6.204 -8.930 1.00 0.00 H new ATOM 868 N GLY A 60 -5.830 10.637 -8.282 1.00 0.00 N ATOM 869 CA GLY A 60 -5.689 12.075 -8.168 1.00 0.00 C ATOM 870 C GLY A 60 -5.611 12.522 -6.730 1.00 0.00 C ATOM 871 O GLY A 60 -5.775 11.705 -5.829 1.00 0.00 O ATOM 0 H GLY A 60 -5.499 10.106 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.791 12.394 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.535 12.562 -8.654 1.00 0.00 H new ATOM 875 N PRO A 61 -5.343 13.808 -6.482 1.00 0.00 N ATOM 876 CA PRO A 61 -5.324 14.361 -5.129 1.00 0.00 C ATOM 877 C PRO A 61 -6.721 14.381 -4.519 1.00 0.00 C ATOM 878 O PRO A 61 -7.714 14.550 -5.232 1.00 0.00 O ATOM 879 CB PRO A 61 -4.800 15.793 -5.318 1.00 0.00 C ATOM 880 CG PRO A 61 -4.252 15.840 -6.704 1.00 0.00 C ATOM 881 CD PRO A 61 -5.022 14.822 -7.491 1.00 0.00 C ATOM 0 HA PRO A 61 -4.709 13.769 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.599 16.523 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.030 16.029 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.367 16.834 -7.135 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.186 15.612 -6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.921 15.249 -7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.429 14.408 -8.307 1.00 0.00 H new ATOM 889 N ILE A 62 -6.805 14.203 -3.212 1.00 0.00 N ATOM 890 CA ILE A 62 -8.090 14.227 -2.534 1.00 0.00 C ATOM 891 C ILE A 62 -8.466 15.665 -2.197 1.00 0.00 C ATOM 892 O ILE A 62 -8.019 16.217 -1.190 1.00 0.00 O ATOM 893 CB ILE A 62 -8.077 13.376 -1.246 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.522 11.985 -1.536 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.481 13.260 -0.669 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.502 11.086 -0.330 1.00 0.00 C ATOM 0 H ILE A 62 -6.004 14.041 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.830 13.797 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.436 13.870 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.122 11.519 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.509 12.080 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.453 12.657 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.860 14.254 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.137 12.786 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.096 10.113 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.879 11.531 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.517 10.961 0.047 1.00 0.00 H new ATOM 908 N SER A 63 -9.263 16.270 -3.066 1.00 0.00 N ATOM 909 CA SER A 63 -9.692 17.649 -2.896 1.00 0.00 C ATOM 910 C SER A 63 -10.403 17.845 -1.562 1.00 0.00 C ATOM 911 O SER A 63 -11.330 17.106 -1.222 1.00 0.00 O ATOM 912 CB SER A 63 -10.604 18.052 -4.053 1.00 0.00 C ATOM 913 OG SER A 63 -9.935 17.901 -5.293 1.00 0.00 O ATOM 0 H SER A 63 -9.629 15.820 -3.905 1.00 0.00 H new ATOM 0 HA SER A 63 -8.809 18.288 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.505 17.439 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.922 19.087 -3.929 1.00 0.00 H new ATOM 0 HG SER A 63 -10.535 18.162 -6.022 1.00 0.00 H new ATOM 919 N GLY A 64 -9.949 18.834 -0.806 1.00 0.00 N ATOM 920 CA GLY A 64 -10.512 19.087 0.503 1.00 0.00 C ATOM 921 C GLY A 64 -9.714 18.406 1.594 1.00 0.00 C ATOM 922 O GLY A 64 -10.116 18.390 2.757 1.00 0.00 O ATOM 0 H GLY A 64 -9.198 19.468 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.538 20.161 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.543 18.734 0.531 1.00 0.00 H new ATOM 926 N SER A 65 -8.584 17.826 1.211 1.00 0.00 N ATOM 927 CA SER A 65 -7.692 17.169 2.151 1.00 0.00 C ATOM 928 C SER A 65 -6.243 17.286 1.675 1.00 0.00 C ATOM 929 O SER A 65 -5.979 17.775 0.573 1.00 0.00 O ATOM 930 CB SER A 65 -8.092 15.699 2.310 1.00 0.00 C ATOM 931 OG SER A 65 -9.422 15.591 2.793 1.00 0.00 O ATOM 0 H SER A 65 -8.263 17.799 0.243 1.00 0.00 H new ATOM 0 HA SER A 65 -7.774 17.659 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.005 15.188 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.408 15.203 2.999 1.00 0.00 H new ATOM 0 HG SER A 65 -9.660 14.645 2.887 1.00 0.00 H new ATOM 937 N ASN A 66 -5.312 16.849 2.515 1.00 0.00 N ATOM 938 CA ASN A 66 -3.884 16.984 2.226 1.00 0.00 C ATOM 939 C ASN A 66 -3.330 15.723 1.577 1.00 0.00 C ATOM 940 O ASN A 66 -2.127 15.613 1.345 1.00 0.00 O ATOM 941 CB ASN A 66 -3.094 17.245 3.515 1.00 0.00 C ATOM 942 CG ASN A 66 -3.605 18.424 4.315 1.00 0.00 C ATOM 943 OD1 ASN A 66 -4.488 18.278 5.160 1.00 0.00 O ATOM 944 ND2 ASN A 66 -3.039 19.593 4.076 1.00 0.00 N ATOM 0 H ASN A 66 -5.519 16.396 3.405 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.775 17.825 1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.129 16.352 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.048 17.416 3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.331 20.418 4.601 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.310 19.671 3.367 1.00 0.00 H new ATOM 951 N TYR A 67 -4.197 14.763 1.297 1.00 0.00 N ATOM 952 CA TYR A 67 -3.747 13.460 0.827 1.00 0.00 C ATOM 953 C TYR A 67 -4.070 13.247 -0.635 1.00 0.00 C ATOM 954 O TYR A 67 -4.835 13.996 -1.244 1.00 0.00 O ATOM 955 CB TYR A 67 -4.373 12.333 1.654 1.00 0.00 C ATOM 956 CG TYR A 67 -3.712 12.129 2.997 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.458 13.204 3.821 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.344 10.864 3.436 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.854 13.040 5.050 1.00 0.00 C ATOM 960 CE2 TYR A 67 -2.739 10.685 4.666 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.496 11.777 5.468 1.00 0.00 C ATOM 962 OH TYR A 67 -1.878 11.613 6.684 1.00 0.00 O ATOM 0 H TYR A 67 -5.209 14.859 1.386 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.664 13.439 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.430 12.551 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.318 11.404 1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.738 14.196 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.533 10.007 2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.663 13.896 5.680 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.459 9.695 4.995 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.349 10.788 6.674 1.00 0.00 H new ATOM 972 N GLU A 68 -3.468 12.214 -1.180 1.00 0.00 N ATOM 973 CA GLU A 68 -3.721 11.798 -2.542 1.00 0.00 C ATOM 974 C GLU A 68 -4.508 10.490 -2.521 1.00 0.00 C ATOM 975 O GLU A 68 -4.620 9.842 -1.471 1.00 0.00 O ATOM 976 CB GLU A 68 -2.403 11.655 -3.311 1.00 0.00 C ATOM 977 CG GLU A 68 -2.581 11.484 -4.810 1.00 0.00 C ATOM 978 CD GLU A 68 -1.671 12.395 -5.599 1.00 0.00 C ATOM 979 OE1 GLU A 68 -2.038 13.574 -5.794 1.00 0.00 O ATOM 980 OE2 GLU A 68 -0.586 11.943 -6.009 1.00 0.00 O ATOM 0 H GLU A 68 -2.786 11.636 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.313 12.553 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.788 12.536 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.856 10.797 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.380 10.448 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.618 11.689 -5.077 1.00 0.00 H new ATOM 987 N TYR A 69 -4.999 10.079 -3.678 1.00 0.00 N ATOM 988 CA TYR A 69 -6.027 9.063 -3.757 1.00 0.00 C ATOM 989 C TYR A 69 -5.582 7.990 -4.720 1.00 0.00 C ATOM 990 O TYR A 69 -5.490 8.223 -5.931 1.00 0.00 O ATOM 991 CB TYR A 69 -7.342 9.688 -4.221 1.00 0.00 C ATOM 992 CG TYR A 69 -8.568 8.893 -3.855 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.547 7.999 -2.795 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.756 9.061 -4.552 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.675 7.292 -2.441 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.888 8.354 -4.207 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.842 7.471 -3.151 1.00 0.00 C ATOM 998 OH TYR A 69 -11.968 6.765 -2.800 1.00 0.00 O ATOM 0 H TYR A 69 -4.696 10.440 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.187 8.620 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.428 10.686 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.311 9.809 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.633 7.855 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.794 9.756 -5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.645 6.601 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.805 8.492 -4.761 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.705 7.007 -3.398 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.299 6.826 -4.179 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.630 5.793 -4.922 1.00 0.00 C ATOM 1010 C TRP A 70 -5.544 4.597 -5.112 1.00 0.00 C ATOM 1011 O TRP A 70 -6.356 4.288 -4.245 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.370 5.384 -4.163 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.564 6.559 -3.675 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.878 7.417 -2.682 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.302 6.984 -4.151 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.883 8.349 -2.546 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.908 8.096 -3.426 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.496 6.518 -5.119 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.290 8.756 -3.654 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.709 7.141 -5.367 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.097 8.259 -4.624 1.00 0.00 C ATOM 0 H TRP A 70 -5.526 6.574 -3.217 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.361 6.168 -5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.652 4.766 -3.311 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.747 4.768 -4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.777 7.375 -2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.885 9.118 -1.876 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.791 5.658 -5.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.569 9.629 -3.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.358 6.762 -6.142 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.047 8.731 -4.824 1.00 0.00 H new ATOM 1032 N THR A 71 -5.408 3.944 -6.247 1.00 0.00 N ATOM 1033 CA THR A 71 -6.159 2.743 -6.555 1.00 0.00 C ATOM 1034 C THR A 71 -5.235 1.741 -7.223 1.00 0.00 C ATOM 1035 O THR A 71 -4.449 2.109 -8.097 1.00 0.00 O ATOM 1036 CB THR A 71 -7.351 3.047 -7.485 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.936 3.927 -8.541 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.498 3.676 -6.712 1.00 0.00 C ATOM 0 H THR A 71 -4.769 4.233 -6.988 1.00 0.00 H new ATOM 0 HA THR A 71 -6.555 2.334 -5.625 1.00 0.00 H new ATOM 0 HB THR A 71 -7.699 2.106 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.364 4.801 -8.426 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.326 3.880 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.830 2.991 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.163 4.608 -6.258 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.287 0.487 -6.814 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.420 -0.492 -7.432 1.00 0.00 C ATOM 1048 C PHE A 72 -5.147 -1.787 -7.716 1.00 0.00 C ATOM 1049 O PHE A 72 -6.055 -2.200 -6.990 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.159 -0.768 -6.598 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.377 -1.683 -5.425 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -4.034 -1.228 -4.309 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.914 -2.990 -5.442 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -4.239 -2.051 -3.217 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -3.112 -3.823 -4.359 1.00 0.00 C ATOM 1056 CZ PHE A 72 -3.777 -3.352 -3.242 1.00 0.00 C ATOM 0 H PHE A 72 -5.900 0.132 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.105 -0.056 -8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.398 -1.203 -7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.764 0.181 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.397 -0.211 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.393 -3.360 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.759 -1.677 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.748 -4.840 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.935 -3.999 -2.392 1.00 0.00 H new ATOM 1066 N SER A 73 -4.725 -2.409 -8.783 1.00 0.00 N ATOM 1067 CA SER A 73 -5.216 -3.705 -9.178 1.00 0.00 C ATOM 1068 C SER A 73 -4.036 -4.643 -9.364 1.00 0.00 C ATOM 1069 O SER A 73 -2.967 -4.226 -9.821 1.00 0.00 O ATOM 1070 CB SER A 73 -6.037 -3.589 -10.460 1.00 0.00 C ATOM 1071 OG SER A 73 -5.466 -2.635 -11.343 1.00 0.00 O ATOM 0 H SER A 73 -4.020 -2.026 -9.413 1.00 0.00 H new ATOM 0 HA SER A 73 -5.869 -4.108 -8.403 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.089 -4.560 -10.952 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.059 -3.299 -10.217 1.00 0.00 H new ATOM 0 HG SER A 73 -6.007 -2.579 -12.158 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.219 -5.891 -8.985 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.133 -6.851 -9.003 1.00 0.00 C ATOM 1079 C ALA A 74 -3.656 -8.258 -9.236 1.00 0.00 C ATOM 1080 O ALA A 74 -4.389 -8.810 -8.411 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.364 -6.785 -7.689 1.00 0.00 C ATOM 0 H ALA A 74 -5.111 -6.265 -8.660 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.462 -6.600 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.549 -7.508 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.957 -5.783 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.036 -7.016 -6.862 1.00 0.00 H new ATOM 1087 N SER A 75 -3.299 -8.831 -10.368 1.00 0.00 N ATOM 1088 CA SER A 75 -3.579 -10.225 -10.614 1.00 0.00 C ATOM 1089 C SER A 75 -2.549 -11.044 -9.858 1.00 0.00 C ATOM 1090 O SER A 75 -1.404 -11.191 -10.295 1.00 0.00 O ATOM 1091 CB SER A 75 -3.524 -10.524 -12.113 1.00 0.00 C ATOM 1092 OG SER A 75 -3.911 -11.856 -12.391 1.00 0.00 O ATOM 0 H SER A 75 -2.816 -8.352 -11.128 1.00 0.00 H new ATOM 0 HA SER A 75 -4.582 -10.480 -10.270 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.179 -9.835 -12.647 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.513 -10.353 -12.482 1.00 0.00 H new ATOM 0 HG SER A 75 -3.867 -12.015 -13.357 1.00 0.00 H new ATOM 1098 N VAL A 76 -2.945 -11.549 -8.705 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.018 -12.235 -7.829 1.00 0.00 C ATOM 1100 C VAL A 76 -2.195 -13.742 -7.949 1.00 0.00 C ATOM 1101 O VAL A 76 -3.287 -14.230 -8.242 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.203 -11.810 -6.348 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.111 -10.301 -6.194 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.524 -12.305 -5.800 1.00 0.00 C ATOM 0 H VAL A 76 -3.901 -11.497 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.011 -11.956 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.395 -12.267 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.244 -10.033 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.133 -9.959 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.889 -9.826 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.627 -11.993 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.341 -11.886 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.557 -13.393 -5.857 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.103 -14.467 -7.750 1.00 0.00 N ATOM 1115 CA LYS A 77 -1.139 -15.923 -7.690 1.00 0.00 C ATOM 1116 C LYS A 77 -1.720 -16.344 -6.351 1.00 0.00 C ATOM 1117 O LYS A 77 -2.221 -17.453 -6.180 1.00 0.00 O ATOM 1118 CB LYS A 77 0.279 -16.473 -7.820 1.00 0.00 C ATOM 1119 CG LYS A 77 1.172 -16.051 -6.666 1.00 0.00 C ATOM 1120 CD LYS A 77 2.582 -16.577 -6.804 1.00 0.00 C ATOM 1121 CE LYS A 77 3.411 -16.208 -5.586 1.00 0.00 C ATOM 1122 NZ LYS A 77 4.738 -16.873 -5.579 1.00 0.00 N ATOM 0 H LYS A 77 -0.173 -14.067 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.753 -16.312 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.241 -17.561 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.715 -16.129 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.197 -14.963 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.744 -16.409 -5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.562 -17.660 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.043 -16.167 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.550 -15.127 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.866 -16.482 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.309 -16.500 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.612 -17.898 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.224 -16.688 -6.480 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.630 -15.422 -5.411 1.00 0.00 N ATOM 1137 CA GLY A 78 -2.036 -15.660 -4.053 1.00 0.00 C ATOM 1138 C GLY A 78 -1.385 -14.649 -3.146 1.00 0.00 C ATOM 1139 O GLY A 78 -0.540 -13.873 -3.597 1.00 0.00 O ATOM 0 H GLY A 78 -1.269 -14.482 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.121 -15.593 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.755 -16.669 -3.750 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.769 -14.644 -1.887 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.223 -13.710 -0.927 1.00 0.00 C ATOM 1145 C ILE A 79 -1.643 -14.073 0.481 1.00 0.00 C ATOM 1146 O ILE A 79 -2.821 -14.239 0.783 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.576 -12.242 -1.242 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.222 -11.333 -0.061 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.043 -12.078 -1.629 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.536 -9.879 -0.325 1.00 0.00 C ATOM 0 H ILE A 79 -2.464 -15.284 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.139 -13.791 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.978 -11.943 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.769 -11.663 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.161 -11.435 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.248 -11.029 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.255 -12.677 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.676 -12.411 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.264 -9.284 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.969 -9.536 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.602 -9.767 -0.522 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.642 -14.209 1.317 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.819 -14.611 2.693 1.00 0.00 C ATOM 1164 C LYS A 80 -0.818 -13.387 3.587 1.00 0.00 C ATOM 1165 O LYS A 80 -1.778 -13.134 4.305 1.00 0.00 O ATOM 1166 CB LYS A 80 0.304 -15.572 3.103 1.00 0.00 C ATOM 1167 CG LYS A 80 0.117 -16.193 4.477 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.199 -16.955 4.593 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.218 -18.214 3.739 1.00 0.00 C ATOM 1170 NZ LYS A 80 -0.175 -19.189 4.154 1.00 0.00 N ATOM 0 H LYS A 80 0.330 -14.042 1.058 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.775 -15.124 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.375 -16.369 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.252 -15.035 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.946 -16.870 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.149 -15.410 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.369 -17.224 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.020 -16.304 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.200 -18.683 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.066 -17.945 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.564 -19.238 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.247 -18.884 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.606 -20.128 4.275 1.00 0.00 H new ATOM 1184 N GLU A 81 0.253 -12.608 3.516 1.00 0.00 N ATOM 1185 CA GLU A 81 0.367 -11.410 4.355 1.00 0.00 C ATOM 1186 C GLU A 81 0.773 -10.241 3.470 1.00 0.00 C ATOM 1187 O GLU A 81 1.093 -10.467 2.310 1.00 0.00 O ATOM 1188 CB GLU A 81 1.395 -11.617 5.468 1.00 0.00 C ATOM 1189 CG GLU A 81 1.317 -12.976 6.154 1.00 0.00 C ATOM 1190 CD GLU A 81 0.085 -13.162 7.021 1.00 0.00 C ATOM 1191 OE1 GLU A 81 -0.048 -12.451 8.039 1.00 0.00 O ATOM 1192 OE2 GLU A 81 -0.722 -14.066 6.733 1.00 0.00 O ATOM 0 H GLU A 81 1.047 -12.775 2.898 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.593 -11.205 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.394 -11.491 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.262 -10.837 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.334 -13.757 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.206 -13.112 6.770 1.00 0.00 H new ATOM 1199 N PHE A 82 0.750 -9.000 3.973 1.00 0.00 N ATOM 1200 CA PHE A 82 1.126 -7.861 3.136 1.00 0.00 C ATOM 1201 C PHE A 82 1.187 -6.566 3.941 1.00 0.00 C ATOM 1202 O PHE A 82 0.606 -6.466 5.023 1.00 0.00 O ATOM 1203 CB PHE A 82 0.150 -7.748 1.943 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.510 -6.410 1.751 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.702 -6.128 2.381 1.00 0.00 C ATOM 1206 CD2 PHE A 82 0.051 -5.450 0.928 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.330 -4.913 2.201 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -0.569 -4.229 0.746 1.00 0.00 C ATOM 1209 CZ PHE A 82 -1.762 -3.960 1.383 1.00 0.00 C ATOM 0 H PHE A 82 0.482 -8.765 4.929 1.00 0.00 H new ATOM 0 HA PHE A 82 2.130 -8.030 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.693 -7.996 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.629 -8.500 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.152 -6.869 3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.983 -5.657 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.266 -4.709 2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.119 -3.485 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.249 -3.007 1.242 1.00 0.00 H new ATOM 1219 N TYR A 83 1.920 -5.597 3.413 1.00 0.00 N ATOM 1220 CA TYR A 83 1.889 -4.229 3.904 1.00 0.00 C ATOM 1221 C TYR A 83 2.423 -3.307 2.814 1.00 0.00 C ATOM 1222 O TYR A 83 3.116 -3.761 1.907 1.00 0.00 O ATOM 1223 CB TYR A 83 2.660 -4.071 5.229 1.00 0.00 C ATOM 1224 CG TYR A 83 4.049 -4.669 5.262 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.028 -4.239 4.389 1.00 0.00 C ATOM 1226 CD2 TYR A 83 4.384 -5.640 6.196 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.306 -4.761 4.432 1.00 0.00 C ATOM 1228 CE2 TYR A 83 5.656 -6.170 6.247 1.00 0.00 C ATOM 1229 CZ TYR A 83 6.615 -5.727 5.363 1.00 0.00 C ATOM 1230 OH TYR A 83 7.883 -6.255 5.412 1.00 0.00 O ATOM 0 H TYR A 83 2.556 -5.739 2.628 1.00 0.00 H new ATOM 0 HA TYR A 83 0.859 -3.953 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.738 -3.008 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.071 -4.525 6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.790 -3.480 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.636 -5.986 6.894 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.058 -4.413 3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 83 5.899 -6.929 6.976 1.00 0.00 H new ATOM 0 HH TYR A 83 7.932 -6.923 6.127 1.00 0.00 H new ATOM 1240 N ILE A 84 2.081 -2.031 2.864 1.00 0.00 N ATOM 1241 CA ILE A 84 2.426 -1.134 1.772 1.00 0.00 C ATOM 1242 C ILE A 84 3.727 -0.399 2.045 1.00 0.00 C ATOM 1243 O ILE A 84 4.009 -0.018 3.181 1.00 0.00 O ATOM 1244 CB ILE A 84 1.335 -0.080 1.506 1.00 0.00 C ATOM 1245 CG1 ILE A 84 -0.067 -0.708 1.531 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.614 0.580 0.164 1.00 0.00 C ATOM 1247 CD1 ILE A 84 -0.766 -0.731 0.189 1.00 0.00 C ATOM 0 H ILE A 84 1.573 -1.597 3.635 1.00 0.00 H new ATOM 0 HA ILE A 84 2.529 -1.773 0.895 1.00 0.00 H new ATOM 0 HB ILE A 84 1.359 0.671 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.012 -1.729 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.686 -0.158 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.849 1.330 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.593 1.058 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.600 -0.175 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.748 -1.191 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.881 0.289 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.173 -1.308 -0.521 1.00 0.00 H new ATOM 1259 N LYS A 85 4.515 -0.201 0.996 1.00 0.00 N ATOM 1260 CA LYS A 85 5.689 0.610 1.071 1.00 0.00 C ATOM 1261 C LYS A 85 5.389 2.005 0.580 1.00 0.00 C ATOM 1262 O LYS A 85 4.932 2.196 -0.553 1.00 0.00 O ATOM 1263 CB LYS A 85 6.787 0.037 0.206 1.00 0.00 C ATOM 1264 CG LYS A 85 7.390 -1.245 0.714 1.00 0.00 C ATOM 1265 CD LYS A 85 8.839 -1.258 0.320 1.00 0.00 C ATOM 1266 CE LYS A 85 9.005 -1.401 -1.187 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.261 -0.778 -1.681 1.00 0.00 N ATOM 0 H LYS A 85 4.344 -0.605 0.075 1.00 0.00 H new ATOM 0 HA LYS A 85 6.011 0.635 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.389 -0.137 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.578 0.780 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.288 -1.312 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.871 -2.105 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.317 -0.337 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.347 -2.081 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.999 -2.458 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.153 -0.942 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.345 -0.931 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.243 0.243 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.075 -1.209 -1.199 1.00 0.00 H new ATOM 1281 N TYR A 86 5.649 2.966 1.429 1.00 0.00 N ATOM 1282 CA TYR A 86 5.597 4.353 1.028 1.00 0.00 C ATOM 1283 C TYR A 86 6.999 4.771 0.626 1.00 0.00 C ATOM 1284 O TYR A 86 7.845 5.034 1.482 1.00 0.00 O ATOM 1285 CB TYR A 86 5.072 5.242 2.161 1.00 0.00 C ATOM 1286 CG TYR A 86 4.970 6.703 1.781 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.414 7.083 0.570 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.426 7.702 2.631 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.317 8.407 0.214 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.331 9.036 2.279 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.774 9.380 1.068 1.00 0.00 C ATOM 1292 OH TYR A 86 4.672 10.701 0.705 1.00 0.00 O ATOM 0 H TYR A 86 5.900 2.815 2.406 1.00 0.00 H new ATOM 0 HA TYR A 86 4.909 4.469 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.089 4.885 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.730 5.144 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.050 6.324 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.862 7.433 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.882 8.681 -0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.691 9.802 2.949 1.00 0.00 H new ATOM 0 HH TYR A 86 3.900 11.105 1.153 1.00 0.00 H new ATOM 1302 N GLU A 87 7.247 4.810 -0.671 1.00 0.00 N ATOM 1303 CA GLU A 87 8.582 5.040 -1.165 1.00 0.00 C ATOM 1304 C GLU A 87 8.694 6.469 -1.658 1.00 0.00 C ATOM 1305 O GLU A 87 7.842 6.962 -2.403 1.00 0.00 O ATOM 1306 CB GLU A 87 8.911 4.051 -2.280 1.00 0.00 C ATOM 1307 CG GLU A 87 10.388 3.978 -2.616 1.00 0.00 C ATOM 1308 CD GLU A 87 11.182 3.158 -1.621 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.002 1.920 -1.572 1.00 0.00 O ATOM 1310 OE2 GLU A 87 12.016 3.742 -0.899 1.00 0.00 O ATOM 0 H GLU A 87 6.540 4.685 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 87 9.301 4.887 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.565 3.060 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.357 4.331 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.508 3.548 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.797 4.988 -2.654 1.00 0.00 H new ATOM 1317 N VAL A 88 9.735 7.135 -1.216 1.00 0.00 N ATOM 1318 CA VAL A 88 9.917 8.542 -1.481 1.00 0.00 C ATOM 1319 C VAL A 88 11.294 8.773 -2.087 1.00 0.00 C ATOM 1320 O VAL A 88 12.170 7.914 -1.992 1.00 0.00 O ATOM 1321 CB VAL A 88 9.765 9.345 -0.167 1.00 0.00 C ATOM 1322 CG1 VAL A 88 9.757 10.843 -0.410 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.511 8.916 0.578 1.00 0.00 C ATOM 0 H VAL A 88 10.481 6.715 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 88 9.159 8.881 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 88 10.635 9.124 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.648 11.365 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.693 11.140 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.923 11.101 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.420 9.491 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.637 9.094 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.575 7.855 0.818 1.00 0.00 H new ATOM 1333 N SER A 89 11.480 9.935 -2.696 1.00 0.00 N ATOM 1334 CA SER A 89 12.722 10.304 -3.344 1.00 0.00 C ATOM 1335 C SER A 89 13.798 10.651 -2.315 1.00 0.00 C ATOM 1336 O SER A 89 14.708 11.435 -2.586 1.00 0.00 O ATOM 1337 CB SER A 89 12.436 11.496 -4.253 1.00 0.00 C ATOM 1338 OG SER A 89 11.151 12.041 -3.969 1.00 0.00 O ATOM 0 H SER A 89 10.760 10.655 -2.753 1.00 0.00 H new ATOM 0 HA SER A 89 13.101 9.466 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.201 12.260 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.483 11.185 -5.297 1.00 0.00 H new ATOM 0 HG SER A 89 10.982 12.806 -4.558 1.00 0.00 H new ATOM 1344 N GLY A 90 13.669 10.069 -1.131 1.00 0.00 N ATOM 1345 CA GLY A 90 14.621 10.287 -0.072 1.00 0.00 C ATOM 1346 C GLY A 90 14.405 9.355 1.108 1.00 0.00 C ATOM 1347 O GLY A 90 15.364 8.876 1.715 1.00 0.00 O ATOM 0 H GLY A 90 12.905 9.439 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.630 10.147 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.551 11.320 0.268 1.00 0.00 H new ATOM 1351 N LYS A 91 13.142 9.076 1.424 1.00 0.00 N ATOM 1352 CA LYS A 91 12.801 8.313 2.608 1.00 0.00 C ATOM 1353 C LYS A 91 11.885 7.150 2.231 1.00 0.00 C ATOM 1354 O LYS A 91 11.383 7.089 1.111 1.00 0.00 O ATOM 1355 CB LYS A 91 12.091 9.246 3.592 1.00 0.00 C ATOM 1356 CG LYS A 91 11.821 8.647 4.957 1.00 0.00 C ATOM 1357 CD LYS A 91 13.088 8.514 5.784 1.00 0.00 C ATOM 1358 CE LYS A 91 12.807 7.885 7.142 1.00 0.00 C ATOM 1359 NZ LYS A 91 12.359 6.471 7.020 1.00 0.00 N ATOM 0 H LYS A 91 12.339 9.372 0.869 1.00 0.00 H new ATOM 0 HA LYS A 91 13.702 7.905 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.695 10.144 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.143 9.558 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.104 9.271 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.362 7.666 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.814 7.906 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.537 9.497 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.707 7.928 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.042 8.464 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.162 6.086 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.495 6.429 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.106 5.908 6.566 1.00 0.00 H new ATOM 1373 N THR A 92 11.685 6.233 3.159 1.00 0.00 N ATOM 1374 CA THR A 92 10.724 5.159 2.987 1.00 0.00 C ATOM 1375 C THR A 92 9.954 4.946 4.285 1.00 0.00 C ATOM 1376 O THR A 92 10.492 5.155 5.375 1.00 0.00 O ATOM 1377 CB THR A 92 11.405 3.829 2.601 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.441 4.059 1.636 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.393 2.841 2.031 1.00 0.00 C ATOM 0 H THR A 92 12.182 6.211 4.050 1.00 0.00 H new ATOM 0 HA THR A 92 10.053 5.452 2.180 1.00 0.00 H new ATOM 0 HB THR A 92 11.840 3.404 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.181 3.667 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.900 1.913 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.625 2.636 2.777 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.930 3.267 1.141 1.00 0.00 H new ATOM 1387 N TYR A 93 8.692 4.573 4.162 1.00 0.00 N ATOM 1388 CA TYR A 93 7.890 4.163 5.308 1.00 0.00 C ATOM 1389 C TYR A 93 7.083 2.938 4.927 1.00 0.00 C ATOM 1390 O TYR A 93 7.217 2.413 3.819 1.00 0.00 O ATOM 1391 CB TYR A 93 6.930 5.262 5.785 1.00 0.00 C ATOM 1392 CG TYR A 93 7.565 6.604 5.989 1.00 0.00 C ATOM 1393 CD1 TYR A 93 7.647 7.474 4.936 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.064 7.002 7.221 1.00 0.00 C ATOM 1395 CE1 TYR A 93 8.211 8.724 5.076 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.634 8.249 7.384 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.704 9.109 6.308 1.00 0.00 C ATOM 1398 OH TYR A 93 9.269 10.355 6.463 1.00 0.00 O ATOM 0 H TYR A 93 8.194 4.545 3.272 1.00 0.00 H new ATOM 0 HA TYR A 93 8.576 3.950 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.125 5.363 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.474 4.945 6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.261 7.174 3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.006 6.328 8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.267 9.395 4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.022 8.549 8.346 1.00 0.00 H new ATOM 0 HH TYR A 93 9.564 10.467 7.391 1.00 0.00 H new ATOM 1408 N TYR A 94 6.221 2.520 5.828 1.00 0.00 N ATOM 1409 CA TYR A 94 5.462 1.286 5.666 1.00 0.00 C ATOM 1410 C TYR A 94 4.109 1.411 6.353 1.00 0.00 C ATOM 1411 O TYR A 94 4.006 2.005 7.425 1.00 0.00 O ATOM 1412 CB TYR A 94 6.225 0.088 6.255 1.00 0.00 C ATOM 1413 CG TYR A 94 7.601 -0.130 5.661 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.765 -0.797 4.454 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.737 0.336 6.310 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.021 -0.992 3.911 1.00 0.00 C ATOM 1417 CE2 TYR A 94 9.995 0.145 5.772 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.132 -0.520 4.573 1.00 0.00 C ATOM 1419 OH TYR A 94 11.385 -0.706 4.035 1.00 0.00 O ATOM 0 H TYR A 94 6.022 3.021 6.694 1.00 0.00 H new ATOM 0 HA TYR A 94 5.317 1.117 4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.325 0.230 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.631 -0.814 6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.897 -1.170 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.635 0.856 7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.130 -1.513 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.868 0.515 6.289 1.00 0.00 H new ATOM 0 HH TYR A 94 12.058 -0.311 4.628 1.00 0.00 H new ATOM 1429 N ASP A 95 3.082 0.856 5.731 1.00 0.00 N ATOM 1430 CA ASP A 95 1.744 0.856 6.310 1.00 0.00 C ATOM 1431 C ASP A 95 1.231 -0.563 6.448 1.00 0.00 C ATOM 1432 O ASP A 95 1.153 -1.306 5.467 1.00 0.00 O ATOM 1433 CB ASP A 95 0.772 1.680 5.457 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.664 1.555 5.941 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -0.990 2.138 6.997 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.471 0.877 5.270 1.00 0.00 O ATOM 0 H ASP A 95 3.147 0.398 4.822 1.00 0.00 H new ATOM 0 HA ASP A 95 1.807 1.313 7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.071 2.728 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.834 1.352 4.419 1.00 0.00 H new ATOM 1441 N ASN A 96 0.914 -0.942 7.676 1.00 0.00 N ATOM 1442 CA ASN A 96 0.364 -2.255 7.950 1.00 0.00 C ATOM 1443 C ASN A 96 -0.654 -2.194 9.092 1.00 0.00 C ATOM 1444 O ASN A 96 -1.765 -1.713 8.922 1.00 0.00 O ATOM 1445 CB ASN A 96 1.479 -3.282 8.239 1.00 0.00 C ATOM 1446 CG ASN A 96 2.564 -2.785 9.190 1.00 0.00 C ATOM 1447 OD1 ASN A 96 2.307 -2.033 10.129 1.00 0.00 O ATOM 1448 ND2 ASN A 96 3.792 -3.216 8.954 1.00 0.00 N ATOM 0 H ASN A 96 1.030 -0.354 8.501 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.161 -2.591 7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.028 -4.181 8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.944 -3.570 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.560 -2.925 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.971 -3.839 8.167 1.00 0.00 H new ATOM 1455 N ASN A 97 -0.245 -2.629 10.264 1.00 0.00 N ATOM 1456 CA ASN A 97 -1.134 -2.712 11.418 1.00 0.00 C ATOM 1457 C ASN A 97 -0.671 -1.714 12.462 1.00 0.00 C ATOM 1458 O ASN A 97 -1.437 -0.901 12.973 1.00 0.00 O ATOM 1459 CB ASN A 97 -1.103 -4.125 12.024 1.00 0.00 C ATOM 1460 CG ASN A 97 -1.526 -5.218 11.055 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -1.381 -5.090 9.841 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -2.023 -6.319 11.592 1.00 0.00 N ATOM 0 H ASN A 97 0.710 -2.936 10.451 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.153 -2.490 11.100 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.094 -4.336 12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.758 -4.151 12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.300 -7.098 10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.129 -6.390 12.604 1.00 0.00 H new ATOM 1469 N ASN A 98 0.616 -1.794 12.735 1.00 0.00 N ATOM 1470 CA ASN A 98 1.304 -0.938 13.684 1.00 0.00 C ATOM 1471 C ASN A 98 2.778 -1.249 13.533 1.00 0.00 C ATOM 1472 O ASN A 98 3.616 -0.360 13.377 1.00 0.00 O ATOM 1473 CB ASN A 98 0.833 -1.215 15.123 1.00 0.00 C ATOM 1474 CG ASN A 98 1.443 -0.272 16.153 1.00 0.00 C ATOM 1475 OD1 ASN A 98 2.573 0.194 16.014 1.00 0.00 O ATOM 1476 ND2 ASN A 98 0.689 0.018 17.204 1.00 0.00 N ATOM 0 H ASN A 98 1.231 -2.476 12.290 1.00 0.00 H new ATOM 0 HA ASN A 98 1.095 0.114 13.488 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.253 -1.132 15.164 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.084 -2.242 15.388 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.042 0.644 17.927 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.244 -0.385 17.289 1.00 0.00 H new ATOM 1483 N SER A 99 3.064 -2.543 13.545 1.00 0.00 N ATOM 1484 CA SER A 99 4.390 -3.051 13.256 1.00 0.00 C ATOM 1485 C SER A 99 4.306 -4.526 12.881 1.00 0.00 C ATOM 1486 O SER A 99 5.066 -5.350 13.381 1.00 0.00 O ATOM 1487 CB SER A 99 5.301 -2.840 14.467 1.00 0.00 C ATOM 1488 OG SER A 99 4.661 -3.251 15.665 1.00 0.00 O ATOM 0 H SER A 99 2.379 -3.269 13.756 1.00 0.00 H new ATOM 0 HA SER A 99 4.815 -2.508 12.412 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.225 -3.402 14.333 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.576 -1.788 14.540 1.00 0.00 H new ATOM 0 HG SER A 99 5.264 -3.108 16.424 1.00 0.00 H new ATOM 1494 N ALA A 100 3.375 -4.851 11.991 1.00 0.00 N ATOM 1495 CA ALA A 100 3.124 -6.239 11.644 1.00 0.00 C ATOM 1496 C ALA A 100 2.897 -6.426 10.142 1.00 0.00 C ATOM 1497 O ALA A 100 3.816 -6.261 9.340 1.00 0.00 O ATOM 1498 CB ALA A 100 1.934 -6.768 12.433 1.00 0.00 C ATOM 0 H ALA A 100 2.787 -4.176 11.502 1.00 0.00 H new ATOM 0 HA ALA A 100 4.014 -6.810 11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.754 -7.809 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.145 -6.699 13.500 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.050 -6.175 12.199 1.00 0.00 H new ATOM 1504 N ASN A 101 1.651 -6.721 9.774 1.00 0.00 N ATOM 1505 CA ASN A 101 1.304 -7.183 8.427 1.00 0.00 C ATOM 1506 C ASN A 101 -0.168 -7.551 8.373 1.00 0.00 C ATOM 1507 O ASN A 101 -0.723 -8.057 9.346 1.00 0.00 O ATOM 1508 CB ASN A 101 2.178 -8.388 8.026 1.00 0.00 C ATOM 1509 CG ASN A 101 2.043 -9.596 8.945 1.00 0.00 C ATOM 1510 OD1 ASN A 101 1.695 -9.483 10.123 1.00 0.00 O ATOM 1511 ND2 ASN A 101 2.361 -10.763 8.418 1.00 0.00 N ATOM 0 H ASN A 101 0.850 -6.647 10.402 1.00 0.00 H new ATOM 0 HA ASN A 101 1.493 -6.377 7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.918 -8.688 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.222 -8.075 8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.323 -11.608 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.645 -10.821 7.440 1.00 0.00 H new ATOM 1518 N TYR A 102 -0.807 -7.239 7.253 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.178 -7.660 7.024 1.00 0.00 C ATOM 1520 C TYR A 102 -2.169 -9.116 6.611 1.00 0.00 C ATOM 1521 O TYR A 102 -1.283 -9.542 5.877 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.843 -6.861 5.903 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.880 -5.362 6.081 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -3.901 -4.748 6.792 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.913 -4.561 5.497 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -3.951 -3.374 6.920 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -1.956 -3.189 5.613 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.976 -2.597 6.329 1.00 0.00 C ATOM 1529 OH TYR A 102 -3.030 -1.223 6.452 1.00 0.00 O ATOM 0 H TYR A 102 -0.397 -6.697 6.492 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.737 -7.498 7.945 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.323 -7.082 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.867 -7.217 5.790 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.668 -5.354 7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.110 -5.021 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.749 -2.910 7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.196 -2.580 5.146 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.616 -0.954 7.299 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.145 -9.870 7.066 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.239 -11.265 6.692 1.00 0.00 C ATOM 1541 C GLN A 103 -4.451 -11.499 5.818 1.00 0.00 C ATOM 1542 O GLN A 103 -5.580 -11.152 6.170 1.00 0.00 O ATOM 1543 CB GLN A 103 -3.265 -12.198 7.907 1.00 0.00 C ATOM 1544 CG GLN A 103 -3.795 -11.568 9.179 1.00 0.00 C ATOM 1545 CD GLN A 103 -2.876 -10.510 9.791 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -3.352 -9.572 10.430 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.566 -10.639 9.602 1.00 0.00 N ATOM 0 H GLN A 103 -3.881 -9.544 7.692 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.339 -11.504 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -3.876 -13.068 7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.254 -12.560 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.763 -11.113 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.965 -12.353 9.915 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.203 -11.428 9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.924 -9.949 9.992 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.187 -12.070 4.670 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.208 -12.378 3.693 1.00 0.00 C ATOM 1558 C VAL A 104 -5.660 -13.814 3.897 1.00 0.00 C ATOM 1559 O VAL A 104 -4.826 -14.717 3.997 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.673 -12.222 2.251 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.811 -12.153 1.252 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.771 -11.008 2.112 1.00 0.00 C ATOM 0 H VAL A 104 -3.246 -12.339 4.381 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.037 -11.684 3.828 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.075 -13.107 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.406 -12.043 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.400 -13.068 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.446 -11.298 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.416 -10.934 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.330 -10.108 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.919 -11.109 2.784 1.00 0.00 H new ATOM 1572 N SER A 105 -6.966 -14.024 3.979 1.00 0.00 N ATOM 1573 CA SER A 105 -7.509 -15.353 4.225 1.00 0.00 C ATOM 1574 C SER A 105 -7.235 -16.275 3.037 1.00 0.00 C ATOM 1575 O SER A 105 -7.979 -16.286 2.054 1.00 0.00 O ATOM 1576 CB SER A 105 -9.015 -15.271 4.503 1.00 0.00 C ATOM 1577 OG SER A 105 -9.525 -16.513 4.963 1.00 0.00 O ATOM 0 H SER A 105 -7.669 -13.292 3.879 1.00 0.00 H new ATOM 0 HA SER A 105 -7.015 -15.769 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.208 -14.499 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.539 -14.975 3.594 1.00 0.00 H new ATOM 0 HG SER A 105 -10.486 -16.429 5.133 1.00 0.00 H new ATOM 1583 N THR A 106 -6.157 -17.035 3.130 1.00 0.00 N ATOM 1584 CA THR A 106 -5.773 -17.953 2.077 1.00 0.00 C ATOM 1585 C THR A 106 -5.603 -19.364 2.626 1.00 0.00 C ATOM 1586 O THR A 106 -6.621 -20.085 2.712 1.00 0.00 O ATOM 1587 CB THR A 106 -4.484 -17.489 1.371 1.00 0.00 C ATOM 1588 OG1 THR A 106 -3.646 -16.774 2.290 1.00 0.00 O ATOM 1589 CG2 THR A 106 -4.818 -16.605 0.177 1.00 0.00 C ATOM 1590 OXT THR A 106 -4.474 -19.746 2.986 1.00 0.00 O ATOM 0 H THR A 106 -5.528 -17.032 3.933 1.00 0.00 H new ATOM 0 HA THR A 106 -6.575 -17.963 1.339 1.00 0.00 H new ATOM 0 HB THR A 106 -3.950 -18.370 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.469 -15.876 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.896 -16.287 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.427 -17.166 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.370 -15.729 0.516 1.00 0.00 H new