USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 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 119 CYS SG : rot -163:sc= 1.38 USER MOD Set 1.2: A 124 CYS SG : rot -140:sc= 1.05 USER MOD Set 2.1: A 64 ASN : amide:sc= 0 K(o=-0.099,f=-1.5) USER MOD Set 2.2: A 74 MET CE :methyl -149:sc= -0.099 (180deg=-1.28) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.0841 X(o=1.3,f=1.2) USER MOD Set 3.2: A 58 TYR OH : rot -77:sc= 0.605 USER MOD Set 3.3: A 60 THR OG1 : rot 93:sc= 0.632 USER MOD Single : A 9 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3.1!) USER MOD Single : A 13 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.05) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 35 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 29:sc= 0.102 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.445 (180deg=-1.09) USER MOD Single : A 62 ASN : amide:sc= -1.01 K(o=-1,f=-1.5) USER MOD Single : A 63 MET CE :methyl -157:sc= -1.32 (180deg=-2.19) USER MOD Single : A 68 SER OG : rot 29:sc= 1.3 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -151:sc= -0.345 (180deg=-1.99) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 125:sc= -6.19! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 165:sc= -0.764 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 165:sc= 0.0093 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.5!) USER MOD Single : A 104 GLN : amide:sc= -3.55 K(o=-3.6,f=-4.6) USER MOD Single : A 105 THR OG1 : rot 77:sc= 0.599 USER MOD Single : A 106 GLN : amide:sc= 0.202 K(o=0.2,f=-0.35) USER MOD Single : A 108 ASN : amide:sc= 0.146 K(o=0.15,f=-10!) USER MOD Single : A 109 THR OG1 : rot 77:sc= 0.453 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.34 K(o=-0.34,f=-2!) USER MOD Single : A 117 LYS NZ :NH3+ -157:sc= -0.106 (180deg=-0.573) USER MOD Single : A 118 HIS : no HD1:sc= -0.757 X(o=-0.76,f=-0.75) USER MOD Single : A 120 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 127 ASN : amide:sc= -2.9! C(o=-2.9!,f=-6.9!) USER MOD Single : A 129 THR OG1 : rot -23:sc= 1.18 USER MOD Single : A 135 HIS : no HD1:sc= -16.1! C(o=-16!,f=-16!) USER MOD Single : A 137 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 139 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.568 23.083 4.208 1.00 0.00 N ATOM 67 CA GLU A 8 -2.248 22.114 5.251 1.00 0.00 C ATOM 68 C GLU A 8 -2.343 20.688 4.716 1.00 0.00 C ATOM 69 O GLU A 8 -1.569 19.815 5.109 1.00 0.00 O ATOM 70 CB GLU A 8 -3.191 22.287 6.444 1.00 0.00 C ATOM 71 CG GLU A 8 -4.661 22.156 6.082 1.00 0.00 C ATOM 72 CD GLU A 8 -5.572 22.296 7.286 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.432 23.293 8.025 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.427 21.408 7.488 1.00 0.00 O ATOM 0 HA GLU A 8 -1.224 22.294 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.945 21.543 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.022 23.266 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.919 22.917 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.831 21.187 5.613 1.00 0.00 H new ATOM 81 N GLN A 9 -3.296 20.461 3.818 1.00 0.00 N ATOM 82 CA GLN A 9 -3.492 19.141 3.230 1.00 0.00 C ATOM 83 C GLN A 9 -2.183 18.595 2.670 1.00 0.00 C ATOM 84 O GLN A 9 -1.749 17.503 3.035 1.00 0.00 O ATOM 85 CB GLN A 9 -4.547 19.204 2.124 1.00 0.00 C ATOM 86 CG GLN A 9 -5.331 17.912 1.958 1.00 0.00 C ATOM 87 CD GLN A 9 -6.578 17.871 2.819 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.499 17.898 4.048 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.739 17.805 2.178 1.00 0.00 N ATOM 0 H GLN A 9 -3.944 21.173 3.482 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.838 18.469 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.241 20.015 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.058 19.447 1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.613 17.794 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.690 17.068 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.758 17.785 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.612 17.775 2.705 1.00 0.00 H new ATOM 98 N ALA A 10 -1.560 19.362 1.781 1.00 0.00 N ATOM 99 CA ALA A 10 -0.300 18.955 1.172 1.00 0.00 C ATOM 100 C ALA A 10 0.563 18.177 2.161 1.00 0.00 C ATOM 101 O ALA A 10 1.297 17.268 1.776 1.00 0.00 O ATOM 102 CB ALA A 10 0.453 20.171 0.655 1.00 0.00 C ATOM 0 H ALA A 10 -1.907 20.268 1.467 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.527 18.297 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.392 19.852 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.153 20.684 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.661 20.849 1.483 1.00 0.00 H new ATOM 108 N GLU A 11 0.468 18.542 3.436 1.00 0.00 N ATOM 109 CA GLU A 11 1.242 17.879 4.479 1.00 0.00 C ATOM 110 C GLU A 11 0.646 16.514 4.813 1.00 0.00 C ATOM 111 O GLU A 11 1.353 15.507 4.841 1.00 0.00 O ATOM 112 CB GLU A 11 1.292 18.747 5.737 1.00 0.00 C ATOM 113 CG GLU A 11 1.889 20.125 5.503 1.00 0.00 C ATOM 114 CD GLU A 11 2.346 20.789 6.787 1.00 0.00 C ATOM 115 OE1 GLU A 11 1.634 20.662 7.806 1.00 0.00 O ATOM 116 OE2 GLU A 11 3.414 21.436 6.774 1.00 0.00 O ATOM 0 H GLU A 11 -0.136 19.292 3.771 1.00 0.00 H new ATOM 0 HA GLU A 11 2.256 17.733 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.282 18.860 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.876 18.232 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.736 20.039 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.149 20.759 5.014 1.00 0.00 H new ATOM 123 N ALA A 12 -0.658 16.490 5.066 1.00 0.00 N ATOM 124 CA ALA A 12 -1.349 15.250 5.397 1.00 0.00 C ATOM 125 C ALA A 12 -0.761 14.072 4.628 1.00 0.00 C ATOM 126 O ALA A 12 -0.529 13.004 5.194 1.00 0.00 O ATOM 127 CB ALA A 12 -2.837 15.382 5.107 1.00 0.00 C ATOM 0 H ALA A 12 -1.257 17.315 5.048 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.213 15.060 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.341 14.449 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.254 16.192 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.984 15.600 4.049 1.00 0.00 H new ATOM 133 N GLN A 13 -0.523 14.273 3.336 1.00 0.00 N ATOM 134 CA GLN A 13 0.037 13.226 2.490 1.00 0.00 C ATOM 135 C GLN A 13 1.507 12.988 2.820 1.00 0.00 C ATOM 136 O GLN A 13 1.944 11.845 2.965 1.00 0.00 O ATOM 137 CB GLN A 13 -0.113 13.598 1.014 1.00 0.00 C ATOM 138 CG GLN A 13 -1.552 13.573 0.523 1.00 0.00 C ATOM 139 CD GLN A 13 -1.799 14.551 -0.608 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.645 15.762 -0.443 1.00 0.00 O ATOM 141 NE2 GLN A 13 -2.186 14.031 -1.767 1.00 0.00 N ATOM 0 H GLN A 13 -0.709 15.151 2.852 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.514 12.305 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.299 14.595 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.479 12.909 0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.800 12.566 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.219 13.807 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.301 13.022 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.368 14.641 -2.564 1.00 0.00 H new ATOM 150 N LEU A 14 2.265 14.072 2.937 1.00 0.00 N ATOM 151 CA LEU A 14 3.687 13.982 3.249 1.00 0.00 C ATOM 152 C LEU A 14 3.908 13.272 4.581 1.00 0.00 C ATOM 153 O LEU A 14 4.608 12.262 4.649 1.00 0.00 O ATOM 154 CB LEU A 14 4.310 15.378 3.294 1.00 0.00 C ATOM 155 CG LEU A 14 5.807 15.436 3.596 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.603 14.769 2.484 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.258 16.877 3.786 1.00 0.00 C ATOM 0 H LEU A 14 1.919 15.024 2.820 1.00 0.00 H new ATOM 0 HA LEU A 14 4.169 13.401 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.135 15.863 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.785 15.964 4.048 1.00 0.00 H new ATOM 0 HG LEU A 14 5.992 14.893 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.667 14.820 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.301 13.725 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.413 15.283 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.327 16.899 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.059 17.444 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.712 17.322 4.618 1.00 0.00 H new ATOM 169 N ALA A 15 3.303 13.805 5.638 1.00 0.00 N ATOM 170 CA ALA A 15 3.430 13.220 6.967 1.00 0.00 C ATOM 171 C ALA A 15 3.511 11.699 6.892 1.00 0.00 C ATOM 172 O ALA A 15 4.455 11.094 7.399 1.00 0.00 O ATOM 173 CB ALA A 15 2.262 13.646 7.844 1.00 0.00 C ATOM 0 H ALA A 15 2.720 14.641 5.599 1.00 0.00 H new ATOM 0 HA ALA A 15 4.356 13.585 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.369 13.202 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.251 14.732 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.328 13.309 7.395 1.00 0.00 H new ATOM 179 N GLU A 16 2.516 11.089 6.256 1.00 0.00 N ATOM 180 CA GLU A 16 2.476 9.638 6.117 1.00 0.00 C ATOM 181 C GLU A 16 3.696 9.130 5.354 1.00 0.00 C ATOM 182 O GLU A 16 4.486 8.343 5.878 1.00 0.00 O ATOM 183 CB GLU A 16 1.196 9.208 5.398 1.00 0.00 C ATOM 184 CG GLU A 16 0.967 7.705 5.408 1.00 0.00 C ATOM 185 CD GLU A 16 0.897 7.136 6.812 1.00 0.00 C ATOM 186 OE1 GLU A 16 0.033 7.586 7.593 1.00 0.00 O ATOM 187 OE2 GLU A 16 1.706 6.239 7.128 1.00 0.00 O ATOM 0 H GLU A 16 1.728 11.576 5.829 1.00 0.00 H new ATOM 0 HA GLU A 16 2.487 9.203 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.344 9.700 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.236 9.554 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.040 7.479 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.772 7.215 4.861 1.00 0.00 H new ATOM 194 N LEU A 17 3.843 9.585 4.115 1.00 0.00 N ATOM 195 CA LEU A 17 4.966 9.178 3.278 1.00 0.00 C ATOM 196 C LEU A 17 6.264 9.159 4.080 1.00 0.00 C ATOM 197 O LEU A 17 6.991 8.166 4.080 1.00 0.00 O ATOM 198 CB LEU A 17 5.106 10.121 2.083 1.00 0.00 C ATOM 199 CG LEU A 17 3.935 10.136 1.099 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.036 11.333 0.167 1.00 0.00 C ATOM 201 CD2 LEU A 17 3.892 8.840 0.302 1.00 0.00 C ATOM 0 H LEU A 17 3.198 10.236 3.667 1.00 0.00 H new ATOM 0 HA LEU A 17 4.769 8.169 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.251 11.134 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.010 9.852 1.537 1.00 0.00 H new ATOM 0 HG LEU A 17 3.009 10.221 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.194 11.327 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.017 12.252 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.969 11.279 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.053 8.868 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.821 8.725 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.771 7.998 0.983 1.00 0.00 H new ATOM 213 N ASP A 18 6.546 10.262 4.764 1.00 0.00 N ATOM 214 CA ASP A 18 7.754 10.371 5.574 1.00 0.00 C ATOM 215 C ASP A 18 7.865 9.201 6.546 1.00 0.00 C ATOM 216 O ASP A 18 8.945 8.643 6.742 1.00 0.00 O ATOM 217 CB ASP A 18 7.760 11.693 6.344 1.00 0.00 C ATOM 218 CG ASP A 18 9.018 11.877 7.169 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.023 12.374 6.618 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.999 11.524 8.366 1.00 0.00 O ATOM 0 H ASP A 18 5.955 11.093 4.774 1.00 0.00 H new ATOM 0 HA ASP A 18 8.614 10.346 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.666 12.520 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.890 11.732 7.000 1.00 0.00 H new ATOM 225 N LEU A 19 6.741 8.836 7.154 1.00 0.00 N ATOM 226 CA LEU A 19 6.711 7.732 8.108 1.00 0.00 C ATOM 227 C LEU A 19 6.944 6.399 7.405 1.00 0.00 C ATOM 228 O LEU A 19 7.868 5.659 7.744 1.00 0.00 O ATOM 229 CB LEU A 19 5.371 7.706 8.845 1.00 0.00 C ATOM 230 CG LEU A 19 5.010 6.389 9.534 1.00 0.00 C ATOM 231 CD1 LEU A 19 6.054 6.030 10.580 1.00 0.00 C ATOM 232 CD2 LEU A 19 3.628 6.479 10.165 1.00 0.00 C ATOM 0 H LEU A 19 5.839 9.288 7.004 1.00 0.00 H new ATOM 0 HA LEU A 19 7.513 7.886 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.376 8.496 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.582 7.949 8.133 1.00 0.00 H new ATOM 0 HG LEU A 19 4.993 5.600 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.780 5.090 11.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.027 5.923 10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.104 6.819 11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.387 5.533 10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.617 7.280 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.888 6.688 9.392 1.00 0.00 H new ATOM 244 N LEU A 20 6.102 6.099 6.423 1.00 0.00 N ATOM 245 CA LEU A 20 6.216 4.855 5.669 1.00 0.00 C ATOM 246 C LEU A 20 7.675 4.544 5.350 1.00 0.00 C ATOM 247 O LEU A 20 8.188 3.484 5.708 1.00 0.00 O ATOM 248 CB LEU A 20 5.407 4.943 4.375 1.00 0.00 C ATOM 249 CG LEU A 20 3.891 4.802 4.520 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.183 5.360 3.295 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.509 3.346 4.742 1.00 0.00 C ATOM 0 H LEU A 20 5.332 6.700 6.130 1.00 0.00 H new ATOM 0 HA LEU A 20 5.817 4.048 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.619 5.902 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.761 4.167 3.696 1.00 0.00 H new ATOM 0 HG LEU A 20 3.574 5.376 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.105 5.251 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.430 6.415 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.505 4.814 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.427 3.265 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.840 2.749 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.987 2.979 5.650 1.00 0.00 H new ATOM 263 N ALA A 21 8.340 5.477 4.676 1.00 0.00 N ATOM 264 CA ALA A 21 9.741 5.305 4.312 1.00 0.00 C ATOM 265 C ALA A 21 10.532 4.680 5.456 1.00 0.00 C ATOM 266 O ALA A 21 11.371 3.806 5.238 1.00 0.00 O ATOM 267 CB ALA A 21 10.350 6.641 3.914 1.00 0.00 C ATOM 0 H ALA A 21 7.931 6.360 4.371 1.00 0.00 H new ATOM 0 HA ALA A 21 9.790 4.628 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.396 6.498 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.808 7.048 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.283 7.335 4.751 1.00 0.00 H new ATOM 273 N SER A 22 10.260 5.135 6.675 1.00 0.00 N ATOM 274 CA SER A 22 10.950 4.623 7.853 1.00 0.00 C ATOM 275 C SER A 22 10.377 3.274 8.275 1.00 0.00 C ATOM 276 O SER A 22 11.118 2.334 8.562 1.00 0.00 O ATOM 277 CB SER A 22 10.841 5.620 9.008 1.00 0.00 C ATOM 278 OG SER A 22 11.883 6.579 8.953 1.00 0.00 O ATOM 0 H SER A 22 9.567 5.857 6.872 1.00 0.00 H new ATOM 0 HA SER A 22 12.001 4.488 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.876 6.124 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.883 5.087 9.958 1.00 0.00 H new ATOM 0 HG SER A 22 11.790 7.206 9.701 1.00 0.00 H new ATOM 284 N MET A 23 9.051 3.187 8.311 1.00 0.00 N ATOM 285 CA MET A 23 8.377 1.953 8.697 1.00 0.00 C ATOM 286 C MET A 23 9.013 0.748 8.012 1.00 0.00 C ATOM 287 O MET A 23 9.160 -0.316 8.615 1.00 0.00 O ATOM 288 CB MET A 23 6.890 2.027 8.345 1.00 0.00 C ATOM 289 CG MET A 23 6.086 2.912 9.285 1.00 0.00 C ATOM 290 SD MET A 23 6.216 2.394 11.007 1.00 0.00 S ATOM 291 CE MET A 23 4.941 1.138 11.080 1.00 0.00 C ATOM 0 H MET A 23 8.423 3.956 8.078 1.00 0.00 H new ATOM 0 HA MET A 23 8.483 1.834 9.775 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.784 2.402 7.327 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.471 1.021 8.359 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.431 3.942 9.192 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.039 2.898 8.984 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.898 0.721 12.086 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.978 1.583 10.830 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.170 0.345 10.368 1.00 0.00 H new ATOM 301 N PHE A 24 9.389 0.921 6.749 1.00 0.00 N ATOM 302 CA PHE A 24 10.009 -0.153 5.982 1.00 0.00 C ATOM 303 C PHE A 24 11.495 0.119 5.768 1.00 0.00 C ATOM 304 O PHE A 24 11.927 0.540 4.694 1.00 0.00 O ATOM 305 CB PHE A 24 9.309 -0.313 4.631 1.00 0.00 C ATOM 306 CG PHE A 24 7.860 -0.691 4.748 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.935 0.207 5.258 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.422 -1.943 4.348 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.602 -0.139 5.367 1.00 0.00 C ATOM 310 CE2 PHE A 24 6.089 -2.294 4.455 1.00 0.00 C ATOM 311 CZ PHE A 24 5.178 -1.390 4.964 1.00 0.00 C ATOM 0 H PHE A 24 9.275 1.795 6.235 1.00 0.00 H new ATOM 0 HA PHE A 24 9.905 -1.078 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.389 0.622 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.829 -1.074 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.260 1.187 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.130 -2.653 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.891 0.569 5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.761 -3.274 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.136 -1.661 5.047 1.00 0.00 H new ATOM 357 N ASN A 28 15.487 -3.675 0.668 1.00 0.00 N ATOM 358 CA ASN A 28 14.667 -3.750 -0.536 1.00 0.00 C ATOM 359 C ASN A 28 13.208 -4.025 -0.185 1.00 0.00 C ATOM 360 O ASN A 28 12.559 -4.866 -0.804 1.00 0.00 O ATOM 361 CB ASN A 28 15.193 -4.842 -1.469 1.00 0.00 C ATOM 362 CG ASN A 28 16.307 -4.345 -2.371 1.00 0.00 C ATOM 363 OD1 ASN A 28 16.087 -3.500 -3.239 1.00 0.00 O ATOM 364 ND2 ASN A 28 17.510 -4.870 -2.170 1.00 0.00 N ATOM 0 HA ASN A 28 14.724 -2.788 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.557 -5.680 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.374 -5.218 -2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.298 -4.575 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.646 -5.568 -1.439 1.00 0.00 H new ATOM 371 N GLU A 29 12.700 -3.308 0.813 1.00 0.00 N ATOM 372 CA GLU A 29 11.318 -3.475 1.246 1.00 0.00 C ATOM 373 C GLU A 29 10.389 -2.543 0.474 1.00 0.00 C ATOM 374 O GLU A 29 9.442 -2.990 -0.174 1.00 0.00 O ATOM 375 CB GLU A 29 11.195 -3.207 2.748 1.00 0.00 C ATOM 376 CG GLU A 29 11.392 -4.445 3.606 1.00 0.00 C ATOM 377 CD GLU A 29 10.159 -5.328 3.647 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.124 -4.878 4.180 1.00 0.00 O ATOM 379 OE2 GLU A 29 10.231 -6.469 3.145 1.00 0.00 O ATOM 0 H GLU A 29 13.225 -2.607 1.336 1.00 0.00 H new ATOM 0 HA GLU A 29 11.022 -4.504 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.930 -2.455 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.211 -2.786 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.234 -5.020 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.651 -4.142 4.620 1.00 0.00 H new ATOM 386 N LEU A 30 10.667 -1.246 0.548 1.00 0.00 N ATOM 387 CA LEU A 30 9.857 -0.250 -0.143 1.00 0.00 C ATOM 388 C LEU A 30 10.675 0.476 -1.206 1.00 0.00 C ATOM 389 O LEU A 30 11.872 0.708 -1.031 1.00 0.00 O ATOM 390 CB LEU A 30 9.290 0.759 0.857 1.00 0.00 C ATOM 391 CG LEU A 30 8.821 2.093 0.274 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.721 2.694 1.134 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.990 3.059 0.146 1.00 0.00 C ATOM 0 H LEU A 30 11.447 -0.860 1.080 1.00 0.00 H new ATOM 0 HA LEU A 30 9.033 -0.767 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.449 0.295 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.052 0.962 1.609 1.00 0.00 H new ATOM 0 HG LEU A 30 8.416 1.911 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.400 3.643 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.874 2.008 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.099 2.862 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.638 4.003 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.425 3.236 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.745 2.631 -0.513 1.00 0.00 H new ATOM 405 N ILE A 31 10.022 0.834 -2.307 1.00 0.00 N ATOM 406 CA ILE A 31 10.690 1.536 -3.396 1.00 0.00 C ATOM 407 C ILE A 31 9.781 2.601 -4.001 1.00 0.00 C ATOM 408 O ILE A 31 8.711 2.293 -4.527 1.00 0.00 O ATOM 409 CB ILE A 31 11.133 0.564 -4.505 1.00 0.00 C ATOM 410 CG1 ILE A 31 12.101 -0.479 -3.942 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.776 1.328 -5.653 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.415 -1.721 -3.420 1.00 0.00 C ATOM 0 H ILE A 31 9.032 0.650 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 31 11.573 2.013 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 31 10.253 0.046 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.808 -0.765 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.680 -0.028 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.084 0.627 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.057 2.035 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.648 1.870 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.162 -2.416 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.729 -1.448 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.859 -2.196 -4.228 1.00 0.00 H new ATOM 424 N VAL A 32 10.216 3.855 -3.926 1.00 0.00 N ATOM 425 CA VAL A 32 9.443 4.965 -4.470 1.00 0.00 C ATOM 426 C VAL A 32 9.878 5.292 -5.894 1.00 0.00 C ATOM 427 O VAL A 32 10.848 6.019 -6.106 1.00 0.00 O ATOM 428 CB VAL A 32 9.586 6.228 -3.599 1.00 0.00 C ATOM 429 CG1 VAL A 32 8.971 7.431 -4.297 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.948 6.008 -2.235 1.00 0.00 C ATOM 0 H VAL A 32 11.099 4.127 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 32 8.399 4.651 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 32 10.647 6.429 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.082 8.313 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.477 7.598 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.912 7.245 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.058 6.910 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.889 5.782 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.440 5.174 -1.734 1.00 0.00 H new ATOM 440 N ASN A 33 9.153 4.750 -6.867 1.00 0.00 N ATOM 441 CA ASN A 33 9.464 4.984 -8.273 1.00 0.00 C ATOM 442 C ASN A 33 9.488 6.478 -8.583 1.00 0.00 C ATOM 443 O ASN A 33 10.458 6.990 -9.143 1.00 0.00 O ATOM 444 CB ASN A 33 8.440 4.283 -9.167 1.00 0.00 C ATOM 445 CG ASN A 33 8.514 2.772 -9.056 1.00 0.00 C ATOM 446 OD1 ASN A 33 7.779 2.159 -8.281 1.00 0.00 O ATOM 447 ND2 ASN A 33 9.404 2.165 -9.831 1.00 0.00 N ATOM 0 H ASN A 33 8.347 4.146 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 33 10.453 4.573 -8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.438 4.616 -8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.605 4.577 -10.204 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.500 1.150 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.992 2.713 -10.458 1.00 0.00 H new ATOM 454 N ASP A 34 8.416 7.170 -8.216 1.00 0.00 N ATOM 455 CA ASP A 34 8.314 8.606 -8.453 1.00 0.00 C ATOM 456 C ASP A 34 8.955 9.392 -7.313 1.00 0.00 C ATOM 457 O ASP A 34 8.280 9.787 -6.364 1.00 0.00 O ATOM 458 CB ASP A 34 6.849 9.015 -8.611 1.00 0.00 C ATOM 459 CG ASP A 34 6.681 10.238 -9.492 1.00 0.00 C ATOM 460 OD1 ASP A 34 7.601 11.083 -9.516 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.631 10.349 -10.158 1.00 0.00 O ATOM 0 H ASP A 34 7.605 6.760 -7.753 1.00 0.00 H new ATOM 0 HA ASP A 34 8.849 8.836 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.287 8.184 -9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.423 9.217 -7.628 1.00 0.00 H new ATOM 466 N GLN A 35 10.262 9.613 -7.415 1.00 0.00 N ATOM 467 CA GLN A 35 10.993 10.350 -6.392 1.00 0.00 C ATOM 468 C GLN A 35 10.553 11.810 -6.353 1.00 0.00 C ATOM 469 O GLN A 35 10.259 12.353 -5.288 1.00 0.00 O ATOM 470 CB GLN A 35 12.499 10.265 -6.651 1.00 0.00 C ATOM 471 CG GLN A 35 13.069 8.868 -6.470 1.00 0.00 C ATOM 472 CD GLN A 35 13.536 8.607 -5.051 1.00 0.00 C ATOM 473 OE1 GLN A 35 14.731 8.651 -4.761 1.00 0.00 O ATOM 474 NE2 GLN A 35 12.591 8.334 -4.158 1.00 0.00 N ATOM 0 H GLN A 35 10.835 9.292 -8.195 1.00 0.00 H new ATOM 0 HA GLN A 35 10.771 9.897 -5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.704 10.603 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.014 10.949 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.311 8.133 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.906 8.730 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.612 8.308 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.844 8.150 -3.187 1.00 0.00 H new ATOM 483 N LEU A 36 10.511 12.441 -7.522 1.00 0.00 N ATOM 484 CA LEU A 36 10.107 13.839 -7.622 1.00 0.00 C ATOM 485 C LEU A 36 8.764 14.068 -6.936 1.00 0.00 C ATOM 486 O LEU A 36 8.602 15.016 -6.168 1.00 0.00 O ATOM 487 CB LEU A 36 10.022 14.262 -9.090 1.00 0.00 C ATOM 488 CG LEU A 36 10.162 15.759 -9.366 1.00 0.00 C ATOM 489 CD1 LEU A 36 11.610 16.198 -9.206 1.00 0.00 C ATOM 490 CD2 LEU A 36 9.652 16.094 -10.760 1.00 0.00 C ATOM 0 H LEU A 36 10.752 12.007 -8.413 1.00 0.00 H new ATOM 0 HA LEU A 36 10.859 14.446 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.800 13.736 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.064 13.927 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 36 9.557 16.301 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.691 17.266 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.942 15.994 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.236 15.649 -9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.759 17.164 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.230 15.542 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.601 15.816 -10.839 1.00 0.00 H new ATOM 502 N ALA A 37 7.805 13.193 -7.217 1.00 0.00 N ATOM 503 CA ALA A 37 6.477 13.297 -6.625 1.00 0.00 C ATOM 504 C ALA A 37 6.558 13.770 -5.177 1.00 0.00 C ATOM 505 O ALA A 37 5.787 14.629 -4.750 1.00 0.00 O ATOM 506 CB ALA A 37 5.756 11.960 -6.705 1.00 0.00 C ATOM 0 H ALA A 37 7.923 12.403 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 37 5.911 14.036 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.766 12.053 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.657 11.662 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.328 11.205 -6.165 1.00 0.00 H new ATOM 512 N VAL A 38 7.497 13.204 -4.426 1.00 0.00 N ATOM 513 CA VAL A 38 7.679 13.568 -3.026 1.00 0.00 C ATOM 514 C VAL A 38 8.382 14.915 -2.895 1.00 0.00 C ATOM 515 O VAL A 38 7.853 15.846 -2.289 1.00 0.00 O ATOM 516 CB VAL A 38 8.493 12.501 -2.270 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.746 12.939 -0.835 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.777 11.159 -2.308 1.00 0.00 C ATOM 0 H VAL A 38 8.144 12.491 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 38 6.685 13.636 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 38 9.457 12.387 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.322 12.173 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.304 13.875 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.793 13.083 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.366 10.417 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.798 11.256 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.653 10.842 -3.343 1.00 0.00 H new ATOM 528 N ALA A 39 9.577 15.011 -3.468 1.00 0.00 N ATOM 529 CA ALA A 39 10.351 16.244 -3.418 1.00 0.00 C ATOM 530 C ALA A 39 9.460 17.461 -3.645 1.00 0.00 C ATOM 531 O ALA A 39 9.548 18.449 -2.917 1.00 0.00 O ATOM 532 CB ALA A 39 11.470 16.207 -4.449 1.00 0.00 C ATOM 0 H ALA A 39 10.030 14.249 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 39 10.790 16.328 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.040 17.135 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.129 15.364 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.043 16.095 -5.446 1.00 0.00 H new ATOM 538 N GLU A 40 8.605 17.382 -4.659 1.00 0.00 N ATOM 539 CA GLU A 40 7.700 18.479 -4.982 1.00 0.00 C ATOM 540 C GLU A 40 6.735 18.745 -3.829 1.00 0.00 C ATOM 541 O GLU A 40 6.396 19.893 -3.542 1.00 0.00 O ATOM 542 CB GLU A 40 6.914 18.163 -6.256 1.00 0.00 C ATOM 543 CG GLU A 40 7.677 18.470 -7.533 1.00 0.00 C ATOM 544 CD GLU A 40 6.760 18.776 -8.702 1.00 0.00 C ATOM 545 OE1 GLU A 40 5.591 18.338 -8.668 1.00 0.00 O ATOM 546 OE2 GLU A 40 7.211 19.453 -9.649 1.00 0.00 O ATOM 0 H GLU A 40 8.520 16.570 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 40 8.299 19.374 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.640 17.108 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.986 18.734 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.337 19.320 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.311 17.620 -7.786 1.00 0.00 H new ATOM 553 N LEU A 41 6.298 17.676 -3.173 1.00 0.00 N ATOM 554 CA LEU A 41 5.372 17.792 -2.052 1.00 0.00 C ATOM 555 C LEU A 41 5.931 18.721 -0.978 1.00 0.00 C ATOM 556 O LEU A 41 5.192 19.481 -0.353 1.00 0.00 O ATOM 557 CB LEU A 41 5.089 16.414 -1.453 1.00 0.00 C ATOM 558 CG LEU A 41 3.835 16.303 -0.586 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.584 16.494 -1.429 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.798 14.960 0.130 1.00 0.00 C ATOM 0 H LEU A 41 6.570 16.719 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 41 4.440 18.217 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.007 15.696 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.949 16.118 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 41 3.866 17.092 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.702 16.412 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.606 17.480 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.547 15.728 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.898 14.899 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.792 14.156 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.678 14.863 0.766 1.00 0.00 H new ATOM 572 N LYS A 42 7.242 18.655 -0.770 1.00 0.00 N ATOM 573 CA LYS A 42 7.902 19.491 0.225 1.00 0.00 C ATOM 574 C LYS A 42 7.991 20.937 -0.253 1.00 0.00 C ATOM 575 O LYS A 42 7.553 21.857 0.438 1.00 0.00 O ATOM 576 CB LYS A 42 9.304 18.954 0.523 1.00 0.00 C ATOM 577 CG LYS A 42 9.340 17.951 1.663 1.00 0.00 C ATOM 578 CD LYS A 42 8.982 16.553 1.188 1.00 0.00 C ATOM 579 CE LYS A 42 10.186 15.842 0.590 1.00 0.00 C ATOM 580 NZ LYS A 42 10.952 15.088 1.619 1.00 0.00 N ATOM 0 H LYS A 42 7.868 18.030 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 42 7.308 19.464 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.703 18.484 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.961 19.790 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.335 17.941 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.644 18.260 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.593 15.972 2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.187 16.613 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.853 15.157 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.840 16.573 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.764 14.618 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.292 15.745 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.336 14.373 2.056 1.00 0.00 H new ATOM 594 N ASP A 43 8.560 21.130 -1.438 1.00 0.00 N ATOM 595 CA ASP A 43 8.704 22.464 -2.009 1.00 0.00 C ATOM 596 C ASP A 43 7.400 23.247 -1.897 1.00 0.00 C ATOM 597 O ASP A 43 7.406 24.447 -1.618 1.00 0.00 O ATOM 598 CB ASP A 43 9.134 22.371 -3.474 1.00 0.00 C ATOM 599 CG ASP A 43 9.609 23.702 -4.023 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.738 24.115 -3.684 1.00 0.00 O ATOM 601 OD2 ASP A 43 8.852 24.332 -4.791 1.00 0.00 O ATOM 0 H ASP A 43 8.929 20.379 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 43 9.473 22.992 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.933 21.636 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.297 22.012 -4.073 1.00 0.00 H new ATOM 606 N CYS A 44 6.284 22.561 -2.117 1.00 0.00 N ATOM 607 CA CYS A 44 4.971 23.193 -2.044 1.00 0.00 C ATOM 608 C CYS A 44 4.706 23.732 -0.642 1.00 0.00 C ATOM 609 O CYS A 44 4.367 24.904 -0.471 1.00 0.00 O ATOM 610 CB CYS A 44 3.880 22.195 -2.434 1.00 0.00 C ATOM 611 SG CYS A 44 3.562 22.108 -4.212 1.00 0.00 S ATOM 0 H CYS A 44 6.262 21.568 -2.347 1.00 0.00 H new ATOM 0 HA CYS A 44 4.956 24.028 -2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.164 21.205 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.956 22.465 -1.923 1.00 0.00 H new ATOM 0 HG CYS A 44 2.626 21.236 -4.443 1.00 0.00 H new ATOM 617 N ILE A 45 4.860 22.870 0.357 1.00 0.00 N ATOM 618 CA ILE A 45 4.636 23.261 1.744 1.00 0.00 C ATOM 619 C ILE A 45 5.614 24.349 2.173 1.00 0.00 C ATOM 620 O ILE A 45 5.214 25.376 2.720 1.00 0.00 O ATOM 621 CB ILE A 45 4.773 22.058 2.696 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.817 20.939 2.280 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.504 22.486 4.131 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.261 19.565 2.732 1.00 0.00 C ATOM 0 H ILE A 45 5.139 21.897 0.233 1.00 0.00 H new ATOM 0 HA ILE A 45 3.618 23.647 1.803 1.00 0.00 H new ATOM 0 HB ILE A 45 5.793 21.679 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.828 21.146 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.719 20.941 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.604 21.625 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.221 23.253 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.493 22.887 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.536 18.821 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.236 19.337 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.332 19.545 3.820 1.00 0.00 H new ATOM 636 N GLU A 46 6.898 24.117 1.920 1.00 0.00 N ATOM 637 CA GLU A 46 7.933 25.079 2.279 1.00 0.00 C ATOM 638 C GLU A 46 7.673 26.431 1.621 1.00 0.00 C ATOM 639 O GLU A 46 7.735 27.474 2.272 1.00 0.00 O ATOM 640 CB GLU A 46 9.312 24.556 1.868 1.00 0.00 C ATOM 641 CG GLU A 46 9.952 23.647 2.904 1.00 0.00 C ATOM 642 CD GLU A 46 11.186 22.941 2.377 1.00 0.00 C ATOM 643 OE1 GLU A 46 11.030 21.936 1.652 1.00 0.00 O ATOM 644 OE2 GLU A 46 12.307 23.393 2.689 1.00 0.00 O ATOM 0 H GLU A 46 7.246 23.272 1.468 1.00 0.00 H new ATOM 0 HA GLU A 46 7.910 25.211 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.220 24.013 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.972 25.403 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.221 24.235 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.224 22.904 3.229 1.00 0.00 H new ATOM 783 N SER A 55 2.761 15.297 -10.877 1.00 0.00 N ATOM 784 CA SER A 55 3.091 13.877 -10.866 1.00 0.00 C ATOM 785 C SER A 55 2.671 13.232 -9.549 1.00 0.00 C ATOM 786 O SER A 55 3.330 13.401 -8.523 1.00 0.00 O ATOM 787 CB SER A 55 4.592 13.678 -11.088 1.00 0.00 C ATOM 788 OG SER A 55 5.015 14.295 -12.292 1.00 0.00 O ATOM 0 HA SER A 55 2.544 13.396 -11.677 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.146 14.096 -10.247 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.820 12.613 -11.122 1.00 0.00 H new ATOM 0 HG SER A 55 4.434 15.059 -12.490 1.00 0.00 H new ATOM 794 N LYS A 56 1.569 12.491 -9.585 1.00 0.00 N ATOM 795 CA LYS A 56 1.059 11.819 -8.396 1.00 0.00 C ATOM 796 C LYS A 56 2.159 11.013 -7.712 1.00 0.00 C ATOM 797 O LYS A 56 3.128 10.600 -8.350 1.00 0.00 O ATOM 798 CB LYS A 56 -0.107 10.898 -8.766 1.00 0.00 C ATOM 799 CG LYS A 56 -1.467 11.565 -8.656 1.00 0.00 C ATOM 800 CD LYS A 56 -2.509 10.847 -9.497 1.00 0.00 C ATOM 801 CE LYS A 56 -2.593 11.431 -10.899 1.00 0.00 C ATOM 802 NZ LYS A 56 -1.442 11.010 -11.745 1.00 0.00 N ATOM 0 H LYS A 56 1.011 12.341 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 56 0.706 12.582 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.032 10.542 -9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.087 10.022 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.784 11.577 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.391 12.604 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.262 9.787 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.483 10.920 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.524 11.115 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.620 12.519 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.716 11.048 -12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.638 11.649 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.167 10.038 -11.498 1.00 0.00 H new ATOM 816 N VAL A 57 2.003 10.792 -6.411 1.00 0.00 N ATOM 817 CA VAL A 57 2.982 10.034 -5.641 1.00 0.00 C ATOM 818 C VAL A 57 2.745 8.534 -5.777 1.00 0.00 C ATOM 819 O VAL A 57 1.831 7.981 -5.165 1.00 0.00 O ATOM 820 CB VAL A 57 2.941 10.416 -4.150 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.065 9.727 -3.391 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.022 11.926 -3.984 1.00 0.00 C ATOM 0 H VAL A 57 1.208 11.127 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 57 3.964 10.282 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 57 1.992 10.078 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.020 10.009 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.956 8.646 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.025 10.031 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.992 12.178 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.954 12.290 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.179 12.394 -4.492 1.00 0.00 H new ATOM 832 N TYR A 58 3.575 7.881 -6.583 1.00 0.00 N ATOM 833 CA TYR A 58 3.455 6.444 -6.801 1.00 0.00 C ATOM 834 C TYR A 58 4.649 5.702 -6.209 1.00 0.00 C ATOM 835 O TYR A 58 5.780 5.847 -6.675 1.00 0.00 O ATOM 836 CB TYR A 58 3.343 6.141 -8.296 1.00 0.00 C ATOM 837 CG TYR A 58 3.644 4.702 -8.647 1.00 0.00 C ATOM 838 CD1 TYR A 58 2.850 3.668 -8.167 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.723 4.376 -9.460 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.122 2.352 -8.484 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.002 3.062 -9.784 1.00 0.00 C ATOM 842 CZ TYR A 58 4.199 2.054 -9.293 1.00 0.00 C ATOM 843 OH TYR A 58 4.473 0.743 -9.613 1.00 0.00 O ATOM 0 H TYR A 58 4.338 8.323 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 58 2.551 6.100 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.336 6.385 -8.633 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.028 6.790 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.005 3.898 -7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.354 5.163 -9.845 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.495 1.560 -8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.844 2.826 -10.418 1.00 0.00 H new ATOM 0 HH TYR A 58 4.900 0.302 -8.849 1.00 0.00 H new ATOM 853 N PHE A 59 4.390 4.904 -5.178 1.00 0.00 N ATOM 854 CA PHE A 59 5.442 4.138 -4.520 1.00 0.00 C ATOM 855 C PHE A 59 5.006 2.693 -4.299 1.00 0.00 C ATOM 856 O PHE A 59 3.951 2.431 -3.719 1.00 0.00 O ATOM 857 CB PHE A 59 5.810 4.782 -3.181 1.00 0.00 C ATOM 858 CG PHE A 59 4.626 5.034 -2.292 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.749 6.072 -2.562 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.390 4.233 -1.186 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.659 6.307 -1.745 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.302 4.463 -0.366 1.00 0.00 C ATOM 863 CZ PHE A 59 2.435 5.500 -0.646 1.00 0.00 C ATOM 0 H PHE A 59 3.460 4.771 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 59 6.318 4.139 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.516 4.137 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.321 5.726 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.919 6.705 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.064 3.420 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.983 7.120 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.130 3.832 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.583 5.680 -0.007 1.00 0.00 H new ATOM 873 N THR A 60 5.824 1.756 -4.767 1.00 0.00 N ATOM 874 CA THR A 60 5.523 0.337 -4.624 1.00 0.00 C ATOM 875 C THR A 60 6.083 -0.214 -3.317 1.00 0.00 C ATOM 876 O THR A 60 7.213 0.093 -2.937 1.00 0.00 O ATOM 877 CB THR A 60 6.094 -0.480 -5.798 1.00 0.00 C ATOM 878 OG1 THR A 60 5.658 0.081 -7.042 1.00 0.00 O ATOM 879 CG2 THR A 60 5.654 -1.934 -5.710 1.00 0.00 C ATOM 0 H THR A 60 6.701 1.954 -5.249 1.00 0.00 H new ATOM 0 HA THR A 60 4.437 0.243 -4.620 1.00 0.00 H new ATOM 0 HB THR A 60 7.182 -0.442 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.329 0.717 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.069 -2.491 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.011 -2.366 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.566 -1.987 -5.742 1.00 0.00 H new ATOM 887 N ILE A 61 5.287 -1.030 -2.635 1.00 0.00 N ATOM 888 CA ILE A 61 5.704 -1.625 -1.372 1.00 0.00 C ATOM 889 C ILE A 61 5.765 -3.145 -1.474 1.00 0.00 C ATOM 890 O ILE A 61 4.787 -3.792 -1.846 1.00 0.00 O ATOM 891 CB ILE A 61 4.754 -1.236 -0.224 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.716 0.284 -0.057 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.185 -1.907 1.071 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.735 0.752 0.995 1.00 0.00 C ATOM 0 H ILE A 61 4.349 -1.294 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 61 6.699 -1.237 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 61 3.750 -1.580 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.713 0.638 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.457 0.740 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.504 -1.622 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.164 -2.989 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.197 -1.591 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.762 1.840 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.730 0.429 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.006 0.325 1.961 1.00 0.00 H new ATOM 906 N ASN A 62 6.921 -3.710 -1.139 1.00 0.00 N ATOM 907 CA ASN A 62 7.109 -5.155 -1.192 1.00 0.00 C ATOM 908 C ASN A 62 6.916 -5.780 0.187 1.00 0.00 C ATOM 909 O ASN A 62 7.693 -5.529 1.107 1.00 0.00 O ATOM 910 CB ASN A 62 8.503 -5.490 -1.725 1.00 0.00 C ATOM 911 CG ASN A 62 8.667 -5.121 -3.186 1.00 0.00 C ATOM 912 OD1 ASN A 62 8.202 -5.836 -4.074 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.332 -4.001 -3.443 1.00 0.00 N ATOM 0 H ASN A 62 7.741 -3.189 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 62 6.360 -5.569 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.252 -4.963 -1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.691 -6.556 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.475 -3.703 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.700 -3.439 -2.676 1.00 0.00 H new ATOM 920 N MET A 63 5.874 -6.594 0.321 1.00 0.00 N ATOM 921 CA MET A 63 5.580 -7.256 1.587 1.00 0.00 C ATOM 922 C MET A 63 5.649 -8.772 1.436 1.00 0.00 C ATOM 923 O MET A 63 4.783 -9.383 0.811 1.00 0.00 O ATOM 924 CB MET A 63 4.196 -6.844 2.093 1.00 0.00 C ATOM 925 CG MET A 63 4.117 -5.390 2.530 1.00 0.00 C ATOM 926 SD MET A 63 2.794 -5.094 3.720 1.00 0.00 S ATOM 927 CE MET A 63 1.453 -6.015 2.971 1.00 0.00 C ATOM 0 H MET A 63 5.220 -6.811 -0.431 1.00 0.00 H new ATOM 0 HA MET A 63 6.331 -6.947 2.314 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.463 -7.018 1.305 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.920 -7.483 2.932 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.069 -5.095 2.970 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.961 -4.759 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.500 -5.623 3.326 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.505 -5.916 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.537 -7.067 3.244 1.00 0.00 H new ATOM 937 N ASN A 64 6.684 -9.373 2.013 1.00 0.00 N ATOM 938 CA ASN A 64 6.866 -10.819 1.942 1.00 0.00 C ATOM 939 C ASN A 64 5.981 -11.529 2.962 1.00 0.00 C ATOM 940 O ASN A 64 5.975 -11.181 4.144 1.00 0.00 O ATOM 941 CB ASN A 64 8.333 -11.182 2.182 1.00 0.00 C ATOM 942 CG ASN A 64 9.137 -11.217 0.896 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.144 -10.255 0.129 1.00 0.00 O ATOM 944 ND2 ASN A 64 9.819 -12.331 0.656 1.00 0.00 N ATOM 0 H ASN A 64 7.410 -8.882 2.535 1.00 0.00 H new ATOM 0 HA ASN A 64 6.576 -11.148 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.777 -10.458 2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.389 -12.156 2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.378 -12.414 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.784 -13.104 1.321 1.00 0.00 H new ATOM 951 N LEU A 65 5.236 -12.526 2.498 1.00 0.00 N ATOM 952 CA LEU A 65 4.347 -13.287 3.370 1.00 0.00 C ATOM 953 C LEU A 65 4.258 -14.742 2.921 1.00 0.00 C ATOM 954 O LEU A 65 4.455 -15.052 1.746 1.00 0.00 O ATOM 955 CB LEU A 65 2.953 -12.659 3.383 1.00 0.00 C ATOM 956 CG LEU A 65 2.897 -11.143 3.186 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.603 -10.742 2.497 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.037 -10.427 4.522 1.00 0.00 C ATOM 0 H LEU A 65 5.229 -12.827 1.523 1.00 0.00 H new ATOM 0 HA LEU A 65 4.759 -13.262 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.357 -13.129 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.477 -12.899 4.334 1.00 0.00 H new ATOM 0 HG LEU A 65 3.730 -10.847 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.581 -9.660 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.544 -11.227 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.755 -11.050 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.995 -9.349 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.225 -10.728 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.992 -10.690 4.977 1.00 0.00 H new ATOM 970 N ASP A 66 3.959 -15.629 3.863 1.00 0.00 N ATOM 971 CA ASP A 66 3.840 -17.051 3.564 1.00 0.00 C ATOM 972 C ASP A 66 2.431 -17.391 3.088 1.00 0.00 C ATOM 973 O ASP A 66 1.455 -17.189 3.811 1.00 0.00 O ATOM 974 CB ASP A 66 4.190 -17.885 4.797 1.00 0.00 C ATOM 975 CG ASP A 66 5.669 -17.837 5.128 1.00 0.00 C ATOM 976 OD1 ASP A 66 6.446 -18.567 4.478 1.00 0.00 O ATOM 977 OD2 ASP A 66 6.049 -17.069 6.036 1.00 0.00 O ATOM 0 H ASP A 66 3.795 -15.388 4.840 1.00 0.00 H new ATOM 0 HA ASP A 66 4.541 -17.288 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.618 -17.523 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.892 -18.920 4.629 1.00 0.00 H new ATOM 982 N VAL A 67 2.332 -17.906 1.867 1.00 0.00 N ATOM 983 CA VAL A 67 1.042 -18.274 1.294 1.00 0.00 C ATOM 984 C VAL A 67 0.699 -19.727 1.601 1.00 0.00 C ATOM 985 O VAL A 67 -0.394 -20.029 2.081 1.00 0.00 O ATOM 986 CB VAL A 67 1.026 -18.065 -0.232 1.00 0.00 C ATOM 987 CG1 VAL A 67 1.278 -16.605 -0.574 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.053 -18.964 -0.903 1.00 0.00 C ATOM 0 H VAL A 67 3.130 -18.078 1.255 1.00 0.00 H new ATOM 0 HA VAL A 67 0.296 -17.624 1.750 1.00 0.00 H new ATOM 0 HB VAL A 67 0.039 -18.335 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.263 -16.477 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.501 -15.987 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.251 -16.303 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.028 -18.803 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.047 -18.727 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.821 -20.007 -0.686 1.00 0.00 H new ATOM 998 N SER A 68 1.640 -20.623 1.322 1.00 0.00 N ATOM 999 CA SER A 68 1.435 -22.047 1.566 1.00 0.00 C ATOM 1000 C SER A 68 2.717 -22.832 1.305 1.00 0.00 C ATOM 1001 O SER A 68 3.724 -22.272 0.870 1.00 0.00 O ATOM 1002 CB SER A 68 0.308 -22.581 0.680 1.00 0.00 C ATOM 1003 OG SER A 68 -0.949 -22.448 1.319 1.00 0.00 O ATOM 0 H SER A 68 2.551 -20.389 0.927 1.00 0.00 H new ATOM 0 HA SER A 68 1.157 -22.175 2.612 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.298 -22.040 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.491 -23.630 0.446 1.00 0.00 H new ATOM 0 HG SER A 68 -0.925 -21.684 1.932 1.00 0.00 H new ATOM 1009 N ASP A 69 2.673 -24.132 1.575 1.00 0.00 N ATOM 1010 CA ASP A 69 3.829 -24.995 1.370 1.00 0.00 C ATOM 1011 C ASP A 69 5.090 -24.364 1.953 1.00 0.00 C ATOM 1012 O ASP A 69 6.099 -24.222 1.265 1.00 0.00 O ATOM 1013 CB ASP A 69 4.027 -25.273 -0.121 1.00 0.00 C ATOM 1014 CG ASP A 69 2.783 -25.845 -0.773 1.00 0.00 C ATOM 1015 OD1 ASP A 69 2.124 -26.701 -0.146 1.00 0.00 O ATOM 1016 OD2 ASP A 69 2.468 -25.435 -1.910 1.00 0.00 O ATOM 0 H ASP A 69 1.848 -24.611 1.937 1.00 0.00 H new ATOM 0 HA ASP A 69 3.643 -25.937 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.306 -24.348 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.855 -25.970 -0.251 1.00 0.00 H new ATOM 1021 N GLU A 70 5.022 -23.987 3.226 1.00 0.00 N ATOM 1022 CA GLU A 70 6.157 -23.369 3.901 1.00 0.00 C ATOM 1023 C GLU A 70 6.899 -22.423 2.961 1.00 0.00 C ATOM 1024 O GLU A 70 8.099 -22.192 3.113 1.00 0.00 O ATOM 1025 CB GLU A 70 7.114 -24.442 4.423 1.00 0.00 C ATOM 1026 CG GLU A 70 6.419 -25.566 5.172 1.00 0.00 C ATOM 1027 CD GLU A 70 6.273 -25.276 6.654 1.00 0.00 C ATOM 1028 OE1 GLU A 70 5.796 -24.175 6.998 1.00 0.00 O ATOM 1029 OE2 GLU A 70 6.637 -26.150 7.468 1.00 0.00 O ATOM 0 H GLU A 70 4.193 -24.099 3.810 1.00 0.00 H new ATOM 0 HA GLU A 70 5.776 -22.792 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.666 -24.864 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.845 -23.975 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.432 -25.731 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.983 -26.489 5.040 1.00 0.00 H new ATOM 1036 N LYS A 71 6.177 -21.878 1.988 1.00 0.00 N ATOM 1037 CA LYS A 71 6.765 -20.957 1.022 1.00 0.00 C ATOM 1038 C LYS A 71 6.129 -19.575 1.133 1.00 0.00 C ATOM 1039 O LYS A 71 5.166 -19.382 1.875 1.00 0.00 O ATOM 1040 CB LYS A 71 6.593 -21.497 -0.399 1.00 0.00 C ATOM 1041 CG LYS A 71 7.724 -22.407 -0.845 1.00 0.00 C ATOM 1042 CD LYS A 71 8.838 -21.623 -1.518 1.00 0.00 C ATOM 1043 CE LYS A 71 8.435 -21.166 -2.912 1.00 0.00 C ATOM 1044 NZ LYS A 71 8.757 -22.190 -3.945 1.00 0.00 N ATOM 0 H LYS A 71 5.183 -22.058 1.847 1.00 0.00 H new ATOM 0 HA LYS A 71 7.829 -20.868 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.652 -22.044 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.519 -20.658 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.123 -22.942 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.338 -23.157 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.093 -20.756 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.733 -22.242 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.366 -20.955 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.948 -20.234 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.467 -21.842 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.781 -22.373 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.248 -23.071 -3.731 1.00 0.00 H new ATOM 1058 N MET A 72 6.672 -18.617 0.389 1.00 0.00 N ATOM 1059 CA MET A 72 6.155 -17.253 0.402 1.00 0.00 C ATOM 1060 C MET A 72 6.279 -16.612 -0.977 1.00 0.00 C ATOM 1061 O MET A 72 6.726 -17.249 -1.930 1.00 0.00 O ATOM 1062 CB MET A 72 6.903 -16.412 1.438 1.00 0.00 C ATOM 1063 CG MET A 72 8.398 -16.684 1.477 1.00 0.00 C ATOM 1064 SD MET A 72 9.111 -16.408 3.110 1.00 0.00 S ATOM 1065 CE MET A 72 8.245 -14.922 3.611 1.00 0.00 C ATOM 0 H MET A 72 7.470 -18.760 -0.230 1.00 0.00 H new ATOM 0 HA MET A 72 5.099 -17.293 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.740 -15.356 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.481 -16.606 2.424 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.584 -17.714 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.899 -16.042 0.753 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.874 -14.345 4.289 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.014 -14.321 2.731 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.319 -15.194 4.118 1.00 0.00 H new ATOM 1075 N ALA A 73 5.879 -15.348 -1.075 1.00 0.00 N ATOM 1076 CA ALA A 73 5.947 -14.621 -2.336 1.00 0.00 C ATOM 1077 C ALA A 73 6.184 -13.133 -2.100 1.00 0.00 C ATOM 1078 O ALA A 73 6.250 -12.679 -0.958 1.00 0.00 O ATOM 1079 CB ALA A 73 4.672 -14.834 -3.137 1.00 0.00 C ATOM 0 H ALA A 73 5.505 -14.807 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 73 6.790 -15.010 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.737 -14.285 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.546 -15.897 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.818 -14.473 -2.564 1.00 0.00 H new ATOM 1085 N MET A 74 6.311 -12.379 -3.187 1.00 0.00 N ATOM 1086 CA MET A 74 6.540 -10.942 -3.096 1.00 0.00 C ATOM 1087 C MET A 74 5.373 -10.166 -3.699 1.00 0.00 C ATOM 1088 O MET A 74 5.190 -10.146 -4.916 1.00 0.00 O ATOM 1089 CB MET A 74 7.840 -10.565 -3.810 1.00 0.00 C ATOM 1090 CG MET A 74 7.999 -9.070 -4.033 1.00 0.00 C ATOM 1091 SD MET A 74 9.719 -8.582 -4.268 1.00 0.00 S ATOM 1092 CE MET A 74 10.374 -8.847 -2.622 1.00 0.00 C ATOM 0 H MET A 74 6.259 -12.739 -4.140 1.00 0.00 H new ATOM 0 HA MET A 74 6.623 -10.679 -2.041 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.685 -10.929 -3.225 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.877 -11.074 -4.773 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.419 -8.773 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.587 -8.533 -3.179 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.177 -8.135 -2.431 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.581 -8.705 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.763 -9.862 -2.544 1.00 0.00 H new ATOM 1102 N PHE A 75 4.585 -9.530 -2.839 1.00 0.00 N ATOM 1103 CA PHE A 75 3.434 -8.754 -3.287 1.00 0.00 C ATOM 1104 C PHE A 75 3.817 -7.294 -3.513 1.00 0.00 C ATOM 1105 O PHE A 75 4.517 -6.692 -2.700 1.00 0.00 O ATOM 1106 CB PHE A 75 2.302 -8.843 -2.261 1.00 0.00 C ATOM 1107 CG PHE A 75 1.534 -10.132 -2.326 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.088 -11.309 -1.850 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.257 -10.166 -2.864 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.383 -12.497 -1.908 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.452 -11.351 -2.925 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.112 -12.517 -2.447 1.00 0.00 C ATOM 0 H PHE A 75 4.722 -9.536 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 75 3.091 -9.172 -4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.719 -8.728 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.615 -8.012 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.082 -11.299 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.189 -9.257 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.826 -13.408 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.446 -11.365 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.440 -13.444 -2.495 1.00 0.00 H new ATOM 1122 N SER A 76 3.352 -6.733 -4.625 1.00 0.00 N ATOM 1123 CA SER A 76 3.648 -5.345 -4.962 1.00 0.00 C ATOM 1124 C SER A 76 2.387 -4.489 -4.899 1.00 0.00 C ATOM 1125 O SER A 76 1.529 -4.562 -5.780 1.00 0.00 O ATOM 1126 CB SER A 76 4.268 -5.259 -6.357 1.00 0.00 C ATOM 1127 OG SER A 76 5.480 -5.991 -6.423 1.00 0.00 O ATOM 0 H SER A 76 2.769 -7.218 -5.307 1.00 0.00 H new ATOM 0 HA SER A 76 4.361 -4.963 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.565 -5.646 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.455 -4.216 -6.611 1.00 0.00 H new ATOM 0 HG SER A 76 5.855 -5.921 -7.326 1.00 0.00 H new ATOM 1133 N LEU A 77 2.281 -3.679 -3.853 1.00 0.00 N ATOM 1134 CA LEU A 77 1.124 -2.807 -3.673 1.00 0.00 C ATOM 1135 C LEU A 77 1.359 -1.450 -4.328 1.00 0.00 C ATOM 1136 O LEU A 77 1.913 -0.540 -3.712 1.00 0.00 O ATOM 1137 CB LEU A 77 0.825 -2.624 -2.185 1.00 0.00 C ATOM 1138 CG LEU A 77 0.044 -3.754 -1.513 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.947 -4.952 -1.262 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.578 -3.271 -0.211 1.00 0.00 C ATOM 0 H LEU A 77 2.982 -3.607 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 77 0.266 -3.278 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.771 -2.499 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.265 -1.697 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.758 -4.064 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.374 -5.746 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.345 -5.313 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.771 -4.657 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.130 -4.088 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.208 -2.934 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.258 -2.445 -0.417 1.00 0.00 H new ATOM 1152 N ALA A 78 0.931 -1.320 -5.579 1.00 0.00 N ATOM 1153 CA ALA A 78 1.090 -0.072 -6.316 1.00 0.00 C ATOM 1154 C ALA A 78 0.081 0.972 -5.851 1.00 0.00 C ATOM 1155 O ALA A 78 -1.086 0.938 -6.240 1.00 0.00 O ATOM 1156 CB ALA A 78 0.947 -0.319 -7.810 1.00 0.00 C ATOM 0 H ALA A 78 0.471 -2.064 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 78 2.090 0.314 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.068 0.622 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.711 -1.025 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.040 -0.731 -8.018 1.00 0.00 H new ATOM 1162 N CYS A 79 0.539 1.899 -5.016 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.325 2.953 -4.496 1.00 0.00 C ATOM 1164 C CYS A 79 -0.062 4.274 -5.213 1.00 0.00 C ATOM 1165 O CYS A 79 1.058 4.543 -5.648 1.00 0.00 O ATOM 1166 CB CYS A 79 -0.109 3.123 -2.992 1.00 0.00 C ATOM 1167 SG CYS A 79 1.617 3.384 -2.519 1.00 0.00 S ATOM 0 H CYS A 79 1.503 1.942 -4.685 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.360 2.662 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.702 3.969 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.485 2.238 -2.479 1.00 0.00 H new ATOM 0 HG CYS A 79 1.716 4.478 -1.823 1.00 0.00 H new ATOM 1173 N ILE A 80 -1.101 5.093 -5.332 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.982 6.385 -5.996 1.00 0.00 C ATOM 1175 C ILE A 80 -1.786 7.455 -5.265 1.00 0.00 C ATOM 1176 O ILE A 80 -3.017 7.431 -5.265 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.458 6.312 -7.459 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.539 5.398 -8.272 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.505 7.704 -8.071 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.964 5.244 -9.716 1.00 0.00 C ATOM 0 H ILE A 80 -2.034 4.885 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 80 0.075 6.652 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.464 5.894 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.476 5.795 -8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.511 4.414 -7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.843 7.636 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.196 8.328 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.510 8.147 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.267 4.583 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.966 4.818 -9.757 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.965 6.220 -10.201 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.081 8.395 -4.644 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.728 9.476 -3.909 1.00 0.00 C ATOM 1194 C LEU A 81 -2.207 10.569 -4.859 1.00 0.00 C ATOM 1195 O LEU A 81 -1.414 11.276 -5.482 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.765 10.067 -2.878 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.174 9.081 -1.870 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.684 9.811 -0.849 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.280 8.298 -1.177 1.00 0.00 C ATOM 0 H LEU A 81 -0.062 8.430 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.594 9.063 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.056 10.547 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.288 10.849 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 81 0.459 8.377 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.096 9.093 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.498 10.325 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.074 10.539 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.840 7.601 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.940 8.988 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.853 7.743 -1.920 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.535 10.715 -4.974 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.150 11.722 -5.844 1.00 0.00 C ATOM 1213 C PRO A 82 -3.941 13.141 -5.326 1.00 0.00 C ATOM 1214 O PRO A 82 -3.298 13.348 -4.296 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.636 11.356 -5.816 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.826 10.642 -4.522 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.540 9.907 -4.262 1.00 0.00 C ATOM 0 HA PRO A 82 -3.715 11.717 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.264 12.245 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.904 10.722 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.044 11.344 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.667 9.950 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.322 9.843 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.577 8.886 -4.642 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.487 14.115 -6.045 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.360 15.515 -5.658 1.00 0.00 C ATOM 1227 C PHE A 83 -5.513 15.935 -4.751 1.00 0.00 C ATOM 1228 O PHE A 83 -5.887 17.107 -4.705 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.322 16.408 -6.900 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.330 15.956 -7.933 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.046 15.586 -7.565 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.681 15.900 -9.272 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.131 15.171 -8.514 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.771 15.485 -10.225 1.00 0.00 C ATOM 1235 CZ PHE A 83 -1.494 15.119 -9.845 1.00 0.00 C ATOM 0 H PHE A 83 -5.022 13.961 -6.900 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.427 15.631 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.315 16.435 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.081 17.427 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.757 15.622 -6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.678 16.184 -9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.133 14.888 -8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.057 15.447 -11.266 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.781 14.793 -10.588 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.072 14.970 -4.029 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.182 15.237 -3.122 1.00 0.00 C ATOM 1247 C LYS A 84 -6.885 14.699 -1.726 1.00 0.00 C ATOM 1248 O LYS A 84 -7.151 15.364 -0.724 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.470 14.609 -3.659 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.554 14.596 -5.175 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.966 14.881 -5.658 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.281 16.369 -5.611 1.00 0.00 C ATOM 1253 NZ LYS A 84 -9.876 17.061 -6.866 1.00 0.00 N ATOM 0 H LYS A 84 -5.774 13.995 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.312 16.317 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.547 13.586 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.325 15.156 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.871 15.341 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.229 13.625 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.084 14.515 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.680 14.337 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.350 16.509 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.767 16.823 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.107 18.072 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.852 16.949 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.386 16.645 -7.672 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.331 13.493 -1.667 1.00 0.00 N ATOM 1268 CA TYR A 85 -5.999 12.866 -0.394 1.00 0.00 C ATOM 1269 C TYR A 85 -5.700 13.918 0.670 1.00 0.00 C ATOM 1270 O TYR A 85 -5.079 14.947 0.405 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.797 11.935 -0.558 1.00 0.00 C ATOM 1272 CG TYR A 85 -4.796 10.771 0.407 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -5.872 9.893 0.469 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.720 10.549 1.258 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -5.876 8.829 1.349 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.715 9.486 2.140 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.795 8.629 2.182 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.794 7.570 3.061 1.00 0.00 O ATOM 0 H TYR A 85 -6.102 12.930 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.861 12.282 -0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.782 11.550 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.881 12.510 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.720 10.046 -0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.873 11.219 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.721 8.157 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.870 9.327 2.793 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.885 7.426 3.398 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.152 13.654 1.905 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.892 12.432 2.233 1.00 0.00 C ATOM 1290 C PRO A 86 -8.286 12.415 1.614 1.00 0.00 C ATOM 1291 O PRO A 86 -8.986 11.404 1.665 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.986 12.473 3.760 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.884 13.918 4.107 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.975 14.528 3.077 1.00 0.00 C ATOM 0 HA PRO A 86 -6.398 11.540 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.926 12.047 4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.184 11.897 4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.865 14.393 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.481 14.051 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.253 15.558 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.939 14.543 3.414 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.682 13.540 1.028 1.00 0.00 N ATOM 1303 CA ALA A 87 -9.990 13.654 0.397 1.00 0.00 C ATOM 1304 C ALA A 87 -10.452 12.309 -0.154 1.00 0.00 C ATOM 1305 O ALA A 87 -11.354 11.678 0.397 1.00 0.00 O ATOM 1306 CB ALA A 87 -9.954 14.695 -0.712 1.00 0.00 C ATOM 0 H ALA A 87 -8.115 14.386 0.977 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.705 13.973 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.939 14.769 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.676 15.662 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.222 14.401 -1.464 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.829 11.876 -1.245 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.176 10.605 -1.871 1.00 0.00 C ATOM 1314 C VAL A 88 -9.060 9.583 -1.694 1.00 0.00 C ATOM 1315 O VAL A 88 -7.897 9.859 -1.993 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.465 10.780 -3.374 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.529 11.844 -3.593 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.189 11.127 -4.124 1.00 0.00 C ATOM 0 H VAL A 88 -9.081 12.387 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.077 10.243 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.844 9.836 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.720 11.954 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.449 11.548 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.182 12.794 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.411 11.247 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.778 12.057 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.461 10.326 -3.994 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.419 8.400 -1.208 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.447 7.334 -0.992 1.00 0.00 C ATOM 1330 C LEU A 89 -7.559 7.150 -2.218 1.00 0.00 C ATOM 1331 O LEU A 89 -7.930 7.493 -3.341 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.164 6.022 -0.666 1.00 0.00 C ATOM 1333 CG LEU A 89 -9.754 5.911 0.740 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -10.548 4.622 0.885 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -8.653 5.983 1.788 1.00 0.00 C ATOM 0 H LEU A 89 -10.376 8.155 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.817 7.616 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.968 5.882 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.461 5.202 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.432 6.750 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.960 4.560 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.361 4.612 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.893 3.769 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.092 5.902 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.950 5.164 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.128 6.934 1.699 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.358 6.594 -2.001 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.393 6.349 -3.077 1.00 0.00 C ATOM 1349 C PRO A 90 -5.845 5.240 -4.020 1.00 0.00 C ATOM 1350 O PRO A 90 -6.914 4.658 -3.841 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.125 5.931 -2.328 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.615 5.376 -1.035 1.00 0.00 C ATOM 1353 CD PRO A 90 -5.850 6.161 -0.689 1.00 0.00 C ATOM 0 HA PRO A 90 -5.260 7.225 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.560 5.187 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.461 6.781 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.841 4.314 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -3.859 5.475 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.579 5.549 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.619 7.011 -0.047 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.023 4.952 -5.025 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.341 3.911 -5.996 1.00 0.00 C ATOM 1363 C GLU A 91 -4.399 2.720 -5.845 1.00 0.00 C ATOM 1364 O GLU A 91 -3.600 2.430 -6.736 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.253 4.467 -7.419 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.451 5.314 -7.816 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.683 4.481 -8.110 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -7.526 3.321 -8.543 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -8.805 4.991 -7.906 1.00 0.00 O ATOM 0 H GLU A 91 -4.134 5.424 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.360 3.573 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.348 5.067 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.157 3.637 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.676 6.017 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.198 5.905 -8.696 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.499 2.035 -4.711 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.657 0.876 -4.443 1.00 0.00 C ATOM 1378 C ILE A 92 -4.055 -0.307 -5.319 1.00 0.00 C ATOM 1379 O ILE A 92 -5.216 -0.718 -5.338 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.735 0.453 -2.964 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.362 1.626 -2.055 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.823 -0.736 -2.704 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.976 1.542 -0.676 1.00 0.00 C ATOM 0 H ILE A 92 -5.154 2.262 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.633 1.170 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.760 0.156 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.277 1.669 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.677 2.556 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.889 -1.023 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.131 -1.574 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.794 -0.464 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.668 2.406 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.063 1.530 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.641 0.629 -0.183 1.00 0.00 H new ATOM 1395 N THR A 93 -3.083 -0.853 -6.044 1.00 0.00 N ATOM 1396 CA THR A 93 -3.331 -1.989 -6.922 1.00 0.00 C ATOM 1397 C THR A 93 -2.427 -3.165 -6.569 1.00 0.00 C ATOM 1398 O THR A 93 -1.239 -3.167 -6.892 1.00 0.00 O ATOM 1399 CB THR A 93 -3.112 -1.615 -8.400 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.988 -0.543 -8.769 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.360 -2.813 -9.305 1.00 0.00 C ATOM 0 H THR A 93 -2.117 -0.526 -6.040 1.00 0.00 H new ATOM 0 HA THR A 93 -4.372 -2.278 -6.778 1.00 0.00 H new ATOM 0 HB THR A 93 -2.077 -1.297 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.842 -0.310 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.199 -2.524 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.672 -3.617 -9.041 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.386 -3.158 -9.179 1.00 0.00 H new ATOM 1409 N VAL A 94 -2.997 -4.165 -5.904 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.243 -5.348 -5.508 1.00 0.00 C ATOM 1411 C VAL A 94 -2.020 -6.280 -6.694 1.00 0.00 C ATOM 1412 O VAL A 94 -2.952 -6.591 -7.436 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.962 -6.123 -4.388 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.098 -7.273 -3.895 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.325 -5.189 -3.243 1.00 0.00 C ATOM 0 H VAL A 94 -3.979 -4.179 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.279 -5.000 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.884 -6.541 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.622 -7.809 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.893 -7.954 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.158 -6.881 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.832 -5.753 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.418 -4.741 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.985 -4.403 -3.610 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.779 -6.723 -6.866 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.433 -7.619 -7.962 1.00 0.00 C ATOM 1427 C ARG A 95 0.439 -8.770 -7.469 1.00 0.00 C ATOM 1428 O ARG A 95 1.290 -8.588 -6.599 1.00 0.00 O ATOM 1429 CB ARG A 95 0.294 -6.851 -9.068 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.627 -5.994 -9.920 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.436 -6.840 -10.890 1.00 0.00 C ATOM 1432 NE ARG A 95 -1.864 -6.075 -12.059 1.00 0.00 N ATOM 1433 CZ ARG A 95 -2.314 -6.632 -13.177 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -2.395 -7.952 -13.279 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -2.685 -5.869 -14.198 1.00 0.00 N ATOM 0 H ARG A 95 0.003 -6.476 -6.260 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.357 -8.033 -8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.055 -6.214 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.813 -7.561 -9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.302 -5.432 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.037 -5.265 -10.476 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.838 -7.692 -11.214 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.311 -7.241 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.814 -5.057 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.111 -8.542 -12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.741 -8.377 -14.139 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.625 -4.853 -14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.031 -6.298 -15.056 1.00 0.00 H new ATOM 1449 N SER A 96 0.221 -9.955 -8.032 1.00 0.00 N ATOM 1450 CA SER A 96 0.984 -11.136 -7.646 1.00 0.00 C ATOM 1451 C SER A 96 0.817 -12.250 -8.675 1.00 0.00 C ATOM 1452 O SER A 96 -0.303 -12.626 -9.023 1.00 0.00 O ATOM 1453 CB SER A 96 0.541 -11.628 -6.267 1.00 0.00 C ATOM 1454 OG SER A 96 1.306 -12.747 -5.855 1.00 0.00 O ATOM 0 H SER A 96 -0.477 -10.122 -8.756 1.00 0.00 H new ATOM 0 HA SER A 96 2.038 -10.860 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.647 -10.823 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.515 -11.896 -6.295 1.00 0.00 H new ATOM 0 HG SER A 96 1.181 -12.893 -4.894 1.00 0.00 H new ATOM 1460 N VAL A 97 1.938 -12.775 -9.158 1.00 0.00 N ATOM 1461 CA VAL A 97 1.917 -13.848 -10.145 1.00 0.00 C ATOM 1462 C VAL A 97 1.044 -15.007 -9.679 1.00 0.00 C ATOM 1463 O VAL A 97 0.544 -15.787 -10.490 1.00 0.00 O ATOM 1464 CB VAL A 97 3.336 -14.372 -10.435 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.217 -13.257 -10.979 1.00 0.00 C ATOM 1466 CG2 VAL A 97 3.946 -14.980 -9.181 1.00 0.00 C ATOM 0 H VAL A 97 2.873 -12.475 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 97 1.499 -13.428 -11.060 1.00 0.00 H new ATOM 0 HB VAL A 97 3.268 -15.152 -11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.215 -13.646 -11.178 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.787 -12.872 -11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.281 -12.453 -10.246 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.948 -15.345 -9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.001 -14.222 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.326 -15.809 -8.840 1.00 0.00 H new ATOM 1476 N LEU A 98 0.865 -15.115 -8.367 1.00 0.00 N ATOM 1477 CA LEU A 98 0.052 -16.180 -7.791 1.00 0.00 C ATOM 1478 C LEU A 98 -1.432 -15.919 -8.025 1.00 0.00 C ATOM 1479 O LEU A 98 -2.156 -16.785 -8.520 1.00 0.00 O ATOM 1480 CB LEU A 98 0.329 -16.307 -6.292 1.00 0.00 C ATOM 1481 CG LEU A 98 1.797 -16.224 -5.871 1.00 0.00 C ATOM 1482 CD1 LEU A 98 1.939 -16.473 -4.378 1.00 0.00 C ATOM 1483 CD2 LEU A 98 2.635 -17.218 -6.662 1.00 0.00 C ATOM 0 H LEU A 98 1.272 -14.478 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 98 0.320 -17.115 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.222 -15.522 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.074 -17.260 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 98 2.161 -15.219 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.990 -16.410 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.371 -15.723 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.558 -17.465 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.677 -17.145 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.271 -18.229 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.559 -16.993 -7.726 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.880 -14.720 -7.669 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.279 -14.343 -7.843 1.00 0.00 C ATOM 1497 C LEU A 99 -3.659 -14.325 -9.320 1.00 0.00 C ATOM 1498 O LEU A 99 -2.920 -13.804 -10.155 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.538 -12.969 -7.222 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.523 -12.910 -5.694 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.491 -11.467 -5.215 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.731 -13.637 -5.120 1.00 0.00 C ATOM 0 H LEU A 99 -1.295 -13.992 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.895 -15.086 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.788 -12.274 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.507 -12.612 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.621 -13.409 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.481 -11.446 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.595 -10.977 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.374 -10.943 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.704 -13.585 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.645 -13.167 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.710 -14.681 -5.434 1.00 0.00 H new ATOM 1514 N SER A 100 -4.816 -14.897 -9.635 1.00 0.00 N ATOM 1515 CA SER A 100 -5.294 -14.948 -11.012 1.00 0.00 C ATOM 1516 C SER A 100 -5.976 -13.640 -11.399 1.00 0.00 C ATOM 1517 O SER A 100 -6.198 -12.769 -10.557 1.00 0.00 O ATOM 1518 CB SER A 100 -6.266 -16.116 -11.193 1.00 0.00 C ATOM 1519 OG SER A 100 -6.519 -16.361 -12.566 1.00 0.00 O ATOM 0 H SER A 100 -5.440 -15.332 -8.956 1.00 0.00 H new ATOM 0 HA SER A 100 -4.433 -15.096 -11.664 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.853 -17.012 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.203 -15.896 -10.681 1.00 0.00 H new ATOM 0 HG SER A 100 -7.141 -17.113 -12.655 1.00 0.00 H new ATOM 1525 N ARG A 101 -6.305 -13.508 -12.680 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.960 -12.306 -13.181 1.00 0.00 C ATOM 1527 C ARG A 101 -8.241 -12.021 -12.404 1.00 0.00 C ATOM 1528 O ARG A 101 -8.536 -10.872 -12.074 1.00 0.00 O ATOM 1529 CB ARG A 101 -7.276 -12.455 -14.671 1.00 0.00 C ATOM 1530 CG ARG A 101 -6.061 -12.298 -15.570 1.00 0.00 C ATOM 1531 CD ARG A 101 -6.394 -12.622 -17.018 1.00 0.00 C ATOM 1532 NE ARG A 101 -6.998 -11.486 -17.708 1.00 0.00 N ATOM 1533 CZ ARG A 101 -6.295 -10.498 -18.251 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -4.971 -10.507 -18.184 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -6.917 -9.498 -18.863 1.00 0.00 N ATOM 0 H ARG A 101 -6.129 -14.219 -13.390 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.278 -11.467 -13.044 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.721 -13.435 -14.843 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.023 -11.713 -14.951 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.686 -11.277 -15.501 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.263 -12.955 -15.223 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.486 -12.922 -17.540 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.077 -13.471 -17.052 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.015 -11.449 -17.777 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.489 -11.274 -17.715 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.434 -9.747 -18.602 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.936 -9.488 -18.917 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.376 -8.740 -19.280 1.00 0.00 H new ATOM 1549 N SER A 102 -8.999 -13.074 -12.115 1.00 0.00 N ATOM 1550 CA SER A 102 -10.251 -12.936 -11.381 1.00 0.00 C ATOM 1551 C SER A 102 -9.987 -12.680 -9.900 1.00 0.00 C ATOM 1552 O SER A 102 -10.316 -11.616 -9.376 1.00 0.00 O ATOM 1553 CB SER A 102 -11.105 -14.195 -11.548 1.00 0.00 C ATOM 1554 OG SER A 102 -11.694 -14.244 -12.836 1.00 0.00 O ATOM 0 H SER A 102 -8.768 -14.032 -12.378 1.00 0.00 H new ATOM 0 HA SER A 102 -10.791 -12.082 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.488 -15.080 -11.393 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.885 -14.213 -10.787 1.00 0.00 H new ATOM 0 HG SER A 102 -12.233 -15.058 -12.918 1.00 0.00 H new ATOM 1560 N GLN A 103 -9.391 -13.663 -9.233 1.00 0.00 N ATOM 1561 CA GLN A 103 -9.084 -13.544 -7.813 1.00 0.00 C ATOM 1562 C GLN A 103 -8.538 -12.158 -7.488 1.00 0.00 C ATOM 1563 O GLN A 103 -9.110 -11.430 -6.676 1.00 0.00 O ATOM 1564 CB GLN A 103 -8.072 -14.614 -7.397 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.688 -15.989 -7.196 1.00 0.00 C ATOM 1566 CD GLN A 103 -9.480 -16.090 -5.907 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -9.284 -15.303 -4.981 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -10.381 -17.063 -5.841 1.00 0.00 N ATOM 0 H GLN A 103 -9.111 -14.550 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 103 -10.008 -13.691 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.294 -14.681 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.587 -14.303 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.341 -16.217 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.898 -16.740 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.510 -17.693 -6.633 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.944 -17.181 -4.999 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.429 -11.799 -8.126 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.806 -10.500 -7.903 1.00 0.00 C ATOM 1579 C GLN A 104 -7.860 -9.404 -7.787 1.00 0.00 C ATOM 1580 O GLN A 104 -7.872 -8.638 -6.822 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.837 -10.173 -9.041 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.987 -8.940 -8.781 1.00 0.00 C ATOM 1583 CD GLN A 104 -4.153 -9.061 -7.521 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.996 -9.479 -7.567 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.738 -8.696 -6.387 1.00 0.00 N ATOM 0 H GLN A 104 -6.943 -12.389 -8.801 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.252 -10.547 -6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.181 -11.028 -9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.405 -10.025 -9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.329 -8.771 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.635 -8.067 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.699 -8.355 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.226 -8.756 -5.507 1.00 0.00 H new ATOM 1594 N THR A 105 -8.745 -9.333 -8.776 1.00 0.00 N ATOM 1595 CA THR A 105 -9.802 -8.329 -8.785 1.00 0.00 C ATOM 1596 C THR A 105 -10.511 -8.265 -7.437 1.00 0.00 C ATOM 1597 O THR A 105 -10.552 -7.215 -6.797 1.00 0.00 O ATOM 1598 CB THR A 105 -10.841 -8.618 -9.886 1.00 0.00 C ATOM 1599 OG1 THR A 105 -10.199 -8.673 -11.164 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.924 -7.549 -9.902 1.00 0.00 C ATOM 0 H THR A 105 -8.751 -9.959 -9.581 1.00 0.00 H new ATOM 0 HA THR A 105 -9.326 -7.370 -8.987 1.00 0.00 H new ATOM 0 HB THR A 105 -11.306 -9.581 -9.672 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.733 -9.530 -11.259 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.646 -7.774 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.431 -7.530 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.472 -6.576 -10.093 1.00 0.00 H new ATOM 1608 N GLN A 106 -11.068 -9.395 -7.012 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.776 -9.465 -5.739 1.00 0.00 C ATOM 1610 C GLN A 106 -10.909 -8.928 -4.605 1.00 0.00 C ATOM 1611 O GLN A 106 -11.375 -8.155 -3.767 1.00 0.00 O ATOM 1612 CB GLN A 106 -12.190 -10.907 -5.441 1.00 0.00 C ATOM 1613 CG GLN A 106 -13.258 -11.023 -4.366 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.476 -10.168 -4.658 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.156 -10.361 -5.666 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.757 -9.217 -3.776 1.00 0.00 N ATOM 0 H GLN A 106 -11.043 -10.273 -7.530 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.670 -8.846 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.558 -11.368 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.311 -11.472 -5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.564 -12.065 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.835 -10.729 -3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.166 -9.093 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.564 -8.610 -3.920 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.648 -9.343 -4.583 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.715 -8.903 -3.551 1.00 0.00 C ATOM 1627 C LEU A 107 -8.660 -7.380 -3.480 1.00 0.00 C ATOM 1628 O LEU A 107 -8.937 -6.788 -2.438 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.319 -9.463 -3.825 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.281 -9.248 -2.723 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.255 -10.371 -2.729 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.598 -7.899 -2.890 1.00 0.00 C ATOM 0 H LEU A 107 -9.247 -9.984 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.069 -9.280 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.409 -10.534 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.943 -9.013 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.794 -9.257 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.525 -10.201 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.757 -11.324 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.747 -10.395 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.863 -7.763 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.099 -7.861 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.343 -7.105 -2.834 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.302 -6.753 -4.596 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.213 -5.299 -4.660 1.00 0.00 C ATOM 1646 C ASN A 108 -9.527 -4.654 -4.233 1.00 0.00 C ATOM 1647 O ASN A 108 -9.573 -3.894 -3.264 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.849 -4.852 -6.078 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.350 -4.755 -6.286 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.723 -3.765 -5.911 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.769 -5.786 -6.889 1.00 0.00 N ATOM 0 H ASN A 108 -8.069 -7.229 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.431 -4.977 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.268 -5.556 -6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.305 -3.882 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.763 -5.777 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.329 -6.586 -7.183 1.00 0.00 H new ATOM 1658 N THR A 109 -10.596 -4.961 -4.962 1.00 0.00 N ATOM 1659 CA THR A 109 -11.911 -4.411 -4.659 1.00 0.00 C ATOM 1660 C THR A 109 -12.160 -4.375 -3.156 1.00 0.00 C ATOM 1661 O THR A 109 -12.687 -3.396 -2.628 1.00 0.00 O ATOM 1662 CB THR A 109 -13.030 -5.227 -5.334 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.816 -5.275 -6.749 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.394 -4.620 -5.042 1.00 0.00 C ATOM 0 H THR A 109 -10.576 -5.588 -5.766 1.00 0.00 H new ATOM 0 HA THR A 109 -11.926 -3.394 -5.051 1.00 0.00 H new ATOM 0 HB THR A 109 -13.006 -6.239 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.110 -5.924 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.168 -5.213 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.566 -4.612 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.427 -3.599 -5.422 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.776 -5.447 -2.472 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.956 -5.537 -1.027 1.00 0.00 C ATOM 1674 C ASP A 110 -11.039 -4.556 -0.303 1.00 0.00 C ATOM 1675 O ASP A 110 -11.497 -3.727 0.485 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.680 -6.962 -0.546 1.00 0.00 C ATOM 1677 CG ASP A 110 -12.904 -7.851 -0.637 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.667 -7.713 -1.617 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.100 -8.686 0.271 1.00 0.00 O ATOM 0 H ASP A 110 -11.338 -6.266 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.989 -5.278 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.876 -7.394 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.332 -6.933 0.486 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.742 -4.655 -0.575 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.760 -3.777 0.051 1.00 0.00 C ATOM 1686 C LEU A 111 -9.265 -2.338 0.094 1.00 0.00 C ATOM 1687 O LEU A 111 -9.331 -1.722 1.158 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.433 -3.841 -0.706 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.411 -2.756 -0.364 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.187 -2.689 1.139 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.099 -3.011 -1.090 1.00 0.00 C ATOM 0 H LEU A 111 -9.346 -5.334 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.604 -4.119 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.977 -4.813 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.644 -3.789 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.805 -1.795 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.457 -1.912 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.128 -2.458 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.815 -3.650 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.384 -2.229 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.700 -3.980 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.272 -3.007 -2.166 1.00 0.00 H new ATOM 1703 N THR A 112 -9.623 -1.807 -1.071 1.00 0.00 N ATOM 1704 CA THR A 112 -10.123 -0.442 -1.168 1.00 0.00 C ATOM 1705 C THR A 112 -11.333 -0.234 -0.264 1.00 0.00 C ATOM 1706 O THR A 112 -11.432 0.774 0.435 1.00 0.00 O ATOM 1707 CB THR A 112 -10.511 -0.086 -2.615 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.388 -0.275 -3.484 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.995 1.353 -2.708 1.00 0.00 C ATOM 0 H THR A 112 -9.576 -2.303 -1.961 1.00 0.00 H new ATOM 0 HA THR A 112 -9.314 0.214 -0.845 1.00 0.00 H new ATOM 0 HB THR A 112 -11.323 -0.745 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.643 -0.048 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.263 1.581 -3.740 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.868 1.485 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.201 2.026 -2.383 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.251 -1.195 -0.283 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.454 -1.118 0.538 1.00 0.00 C ATOM 1719 C ALA A 113 -13.103 -0.921 2.009 1.00 0.00 C ATOM 1720 O ALA A 113 -13.647 -0.039 2.674 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.296 -2.372 0.358 1.00 0.00 C ATOM 0 H ALA A 113 -12.185 -2.035 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.033 -0.254 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.191 -2.301 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.585 -2.469 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.716 -3.245 0.657 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.192 -1.748 2.511 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.770 -1.665 3.905 1.00 0.00 C ATOM 1729 C PHE A 114 -11.661 -0.211 4.354 1.00 0.00 C ATOM 1730 O PHE A 114 -12.391 0.233 5.241 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.427 -2.373 4.096 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.738 -2.013 5.380 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.201 -2.502 6.591 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.626 -1.185 5.377 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.568 -2.173 7.775 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.989 -0.853 6.558 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.462 -1.346 7.759 1.00 0.00 C ATOM 0 H PHE A 114 -11.732 -2.483 1.974 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.524 -2.160 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.586 -3.451 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.773 -2.126 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.067 -3.148 6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.253 -0.795 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.938 -2.562 8.712 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -7.122 -0.209 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.968 -1.085 8.683 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.743 0.525 3.737 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.536 1.929 4.073 1.00 0.00 C ATOM 1749 C LEU A 115 -11.820 2.730 3.882 1.00 0.00 C ATOM 1750 O LEU A 115 -12.311 3.364 4.815 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.419 2.521 3.211 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.124 1.711 3.142 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.326 2.085 1.902 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.293 1.925 4.398 1.00 0.00 C ATOM 0 H LEU A 115 -10.130 0.173 3.002 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.246 1.987 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.799 2.649 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.183 3.515 3.590 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.382 0.654 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.408 1.499 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.920 1.879 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.078 3.146 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.375 1.341 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.044 2.982 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.863 1.606 5.270 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.358 2.694 2.667 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.586 3.416 2.355 1.00 0.00 C ATOM 1768 C GLN A 116 -14.531 3.427 3.552 1.00 0.00 C ATOM 1769 O GLN A 116 -15.225 4.413 3.800 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.281 2.783 1.148 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.523 2.969 -0.157 1.00 0.00 C ATOM 1772 CD GLN A 116 -13.861 4.275 -0.848 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -14.690 5.048 -0.367 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -13.219 4.528 -1.982 1.00 0.00 N ATOM 0 H GLN A 116 -11.963 2.173 1.884 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.321 4.446 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.413 1.717 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.277 3.214 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -12.452 2.934 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.750 2.139 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -12.540 3.859 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -13.405 5.392 -2.492 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.552 2.323 4.292 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.411 2.205 5.465 1.00 0.00 C ATOM 1785 C LYS A 117 -14.642 2.543 6.738 1.00 0.00 C ATOM 1786 O LYS A 117 -14.942 3.528 7.413 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.983 0.789 5.563 1.00 0.00 C ATOM 1788 CG LYS A 117 -17.300 0.716 6.316 1.00 0.00 C ATOM 1789 CD LYS A 117 -17.540 -0.671 6.888 1.00 0.00 C ATOM 1790 CE LYS A 117 -18.087 -1.622 5.834 1.00 0.00 C ATOM 1791 NZ LYS A 117 -19.426 -1.194 5.342 1.00 0.00 N ATOM 0 H LYS A 117 -13.984 1.498 4.100 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.231 2.915 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.127 0.394 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -15.255 0.146 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.299 1.448 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.118 0.981 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.607 -1.067 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.241 -0.606 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.392 -1.674 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.158 -2.626 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.930 -2.014 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.975 -0.797 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.310 -0.472 4.603 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.649 1.721 7.061 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.835 1.934 8.252 1.00 0.00 C ATOM 1807 C HIS A 118 -12.290 3.359 8.289 1.00 0.00 C ATOM 1808 O HIS A 118 -12.595 4.127 9.202 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.681 0.932 8.295 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.077 -0.415 8.815 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -11.661 -0.902 10.037 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.857 -1.380 8.273 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -12.167 -2.108 10.223 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -12.897 -2.421 9.167 1.00 0.00 N ATOM 0 H HIS A 118 -13.388 0.900 6.514 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.468 1.783 9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.271 0.819 7.291 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.884 1.334 8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.355 -1.338 7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.011 -2.732 11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.407 -3.294 9.037 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.481 3.703 7.293 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.891 5.035 7.213 1.00 0.00 C ATOM 1825 C CYS A 119 -11.326 5.745 5.935 1.00 0.00 C ATOM 1826 O CYS A 119 -10.944 5.351 4.833 1.00 0.00 O ATOM 1827 CB CYS A 119 -9.366 4.944 7.267 1.00 0.00 C ATOM 1828 SG CYS A 119 -8.681 5.017 8.939 1.00 0.00 S ATOM 0 H CYS A 119 -11.219 3.079 6.530 1.00 0.00 H new ATOM 0 HA CYS A 119 -11.243 5.614 8.067 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -9.051 4.012 6.797 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.943 5.757 6.677 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.412 5.293 8.876 1.00 0.00 H new ATOM 1834 N HIS A 120 -12.127 6.795 6.091 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.614 7.560 4.949 1.00 0.00 C ATOM 1836 C HIS A 120 -12.432 9.057 5.181 1.00 0.00 C ATOM 1837 O HIS A 120 -13.257 9.700 5.830 1.00 0.00 O ATOM 1838 CB HIS A 120 -14.088 7.248 4.690 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.593 7.777 3.383 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.817 8.396 3.244 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.029 7.780 2.152 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -15.986 8.754 1.983 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -14.915 8.392 1.300 1.00 0.00 N ATOM 0 H HIS A 120 -12.452 7.135 6.996 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.031 7.272 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -14.232 6.168 4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.687 7.668 5.498 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.062 7.376 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -16.852 9.257 1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.770 8.543 0.302 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.346 9.607 4.646 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.075 11.023 4.807 1.00 0.00 C ATOM 1854 C GLY A 121 -9.862 11.287 5.676 1.00 0.00 C ATOM 1855 O GLY A 121 -9.830 12.259 6.431 1.00 0.00 O ATOM 0 H GLY A 121 -10.649 9.097 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.921 11.474 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.946 11.508 5.247 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.862 10.418 5.572 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.641 10.561 6.356 1.00 0.00 C ATOM 1861 C ASP A 122 -6.482 9.817 5.699 1.00 0.00 C ATOM 1862 O ASP A 122 -6.673 9.084 4.729 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.857 10.039 7.778 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.208 10.436 8.341 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.321 11.560 8.873 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -10.151 9.623 8.250 1.00 0.00 O ATOM 0 H ASP A 122 -8.873 9.608 4.953 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.391 11.621 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.771 8.952 7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.069 10.423 8.426 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.281 10.012 6.234 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.092 9.359 5.699 1.00 0.00 C ATOM 1873 C VAL A 123 -3.715 8.138 6.529 1.00 0.00 C ATOM 1874 O VAL A 123 -3.014 8.251 7.536 1.00 0.00 O ATOM 1875 CB VAL A 123 -2.893 10.326 5.655 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.199 11.515 4.757 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.529 10.786 7.058 1.00 0.00 C ATOM 0 H VAL A 123 -5.106 10.616 7.037 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.334 9.044 4.684 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.036 9.797 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.341 12.187 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.407 11.164 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.069 12.048 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.680 11.468 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.381 11.298 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.265 9.922 7.667 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.184 6.971 6.102 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.897 5.727 6.806 1.00 0.00 C ATOM 1889 C CYS A 124 -3.498 4.627 5.827 1.00 0.00 C ATOM 1890 O CYS A 124 -4.116 3.563 5.789 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.114 5.284 7.620 1.00 0.00 C ATOM 1892 SG CYS A 124 -5.686 6.511 8.819 1.00 0.00 S ATOM 0 H CYS A 124 -4.765 6.860 5.271 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.062 5.907 7.483 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.930 5.052 6.936 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.869 4.362 8.148 1.00 0.00 H new ATOM 0 HG CYS A 124 -6.033 5.913 9.920 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.463 4.893 5.037 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.983 3.926 4.058 1.00 0.00 C ATOM 1900 C ILE A 125 -1.596 2.612 4.727 1.00 0.00 C ATOM 1901 O ILE A 125 -1.918 1.531 4.230 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.771 4.469 3.279 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -1.152 5.743 2.521 1.00 0.00 C ATOM 1904 CG2 ILE A 125 -0.242 3.414 2.319 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -2.121 5.502 1.384 1.00 0.00 C ATOM 0 H ILE A 125 -1.941 5.769 5.056 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.803 3.748 3.362 1.00 0.00 H new ATOM 0 HB ILE A 125 0.018 4.714 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.594 6.454 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.248 6.205 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.615 3.813 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.064 2.531 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.025 3.141 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.347 6.448 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.674 4.816 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.041 5.068 1.776 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.905 2.711 5.857 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.475 1.529 6.597 1.00 0.00 C ATOM 1919 C LEU A 126 -1.653 0.601 6.872 1.00 0.00 C ATOM 1920 O LEU A 126 -1.528 -0.620 6.784 1.00 0.00 O ATOM 1921 CB LEU A 126 0.185 1.941 7.914 1.00 0.00 C ATOM 1922 CG LEU A 126 1.657 2.343 7.831 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.091 3.051 9.105 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.530 1.124 7.572 1.00 0.00 C ATOM 0 H LEU A 126 -0.630 3.597 6.281 1.00 0.00 H new ATOM 0 HA LEU A 126 0.251 0.992 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.376 2.777 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.095 1.113 8.617 1.00 0.00 H new ATOM 0 HG LEU A 126 1.777 3.035 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.142 3.329 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.488 3.948 9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.955 2.384 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.575 1.430 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.405 0.408 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.237 0.660 6.630 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.797 1.189 7.206 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.999 0.414 7.493 1.00 0.00 C ATOM 1938 C ASN A 127 -4.347 -0.504 6.325 1.00 0.00 C ATOM 1939 O ASN A 127 -4.835 -1.616 6.520 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.174 1.347 7.790 1.00 0.00 C ATOM 1941 CG ASN A 127 -4.940 2.198 9.024 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -3.823 2.650 9.277 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -5.995 2.418 9.799 1.00 0.00 N ATOM 0 H ASN A 127 -2.917 2.199 7.285 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.802 -0.202 8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.345 1.996 6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.079 0.755 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.899 2.982 10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.902 2.023 9.550 1.00 0.00 H new ATOM 1950 N ALA A 128 -4.092 -0.029 5.110 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.375 -0.807 3.910 1.00 0.00 C ATOM 1952 C ALA A 128 -3.460 -2.023 3.816 1.00 0.00 C ATOM 1953 O ALA A 128 -3.924 -3.151 3.646 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.229 0.063 2.671 1.00 0.00 C ATOM 0 H ALA A 128 -3.690 0.891 4.931 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.403 -1.163 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.443 -0.531 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.929 0.897 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.210 0.447 2.614 1.00 0.00 H new ATOM 1960 N THR A 129 -2.156 -1.787 3.927 1.00 0.00 N ATOM 1961 CA THR A 129 -1.176 -2.863 3.852 1.00 0.00 C ATOM 1962 C THR A 129 -1.424 -3.909 4.932 1.00 0.00 C ATOM 1963 O THR A 129 -1.188 -5.099 4.723 1.00 0.00 O ATOM 1964 CB THR A 129 0.261 -2.325 3.995 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.427 -1.708 5.276 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.574 -1.320 2.897 1.00 0.00 C ATOM 0 H THR A 129 -1.755 -0.860 4.069 1.00 0.00 H new ATOM 0 HA THR A 129 -1.288 -3.324 2.871 1.00 0.00 H new ATOM 0 HB THR A 129 0.951 -3.164 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.448 -1.438 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.594 -0.954 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.475 -1.801 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 129 -0.122 -0.483 2.960 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.903 -3.459 6.088 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.183 -4.358 7.201 1.00 0.00 C ATOM 1976 C GLU A 130 -3.381 -5.251 6.890 1.00 0.00 C ATOM 1977 O GLU A 130 -3.586 -6.278 7.536 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.447 -3.558 8.478 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.181 -3.151 9.214 1.00 0.00 C ATOM 1980 CD GLU A 130 -1.425 -2.874 10.685 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -2.484 -2.298 11.011 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -0.557 -3.231 11.508 1.00 0.00 O ATOM 0 H GLU A 130 -2.105 -2.477 6.278 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.309 -4.991 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.014 -2.662 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.071 -4.152 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.438 -3.942 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.763 -2.260 8.745 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.168 -4.850 5.899 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.347 -5.613 5.503 1.00 0.00 C ATOM 1991 C TRP A 131 -5.000 -6.626 4.417 1.00 0.00 C ATOM 1992 O TRP A 131 -5.664 -7.653 4.277 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.446 -4.672 5.007 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.715 -5.382 4.643 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.892 -5.363 5.336 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.934 -6.216 3.500 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.829 -6.135 4.693 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.266 -6.668 3.564 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.135 -6.622 2.429 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.814 -7.507 2.597 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.679 -7.455 1.470 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.009 -7.890 1.559 1.00 0.00 C ATOM 0 H TRP A 131 -4.012 -4.002 5.355 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.709 -6.154 6.377 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.660 -3.934 5.781 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.081 -4.125 4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.061 -4.821 6.255 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.788 -6.287 5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.110 -6.291 2.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.838 -7.843 2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.070 -7.776 0.638 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.406 -8.540 0.793 1.00 0.00 H new ATOM 2013 N VAL A 132 -3.954 -6.331 3.651 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.518 -7.218 2.579 1.00 0.00 C ATOM 2015 C VAL A 132 -2.592 -8.307 3.108 1.00 0.00 C ATOM 2016 O VAL A 132 -2.811 -9.494 2.865 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.792 -6.438 1.466 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.171 -7.396 0.461 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.749 -5.477 0.778 1.00 0.00 C ATOM 0 H VAL A 132 -3.393 -5.485 3.753 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.415 -7.678 2.165 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.990 -5.854 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.663 -6.827 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.452 -8.040 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.952 -8.008 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.219 -4.935 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.573 -6.038 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.141 -4.769 1.508 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.558 -7.895 3.833 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.597 -8.836 4.397 1.00 0.00 C ATOM 2031 C ARG A 133 -1.299 -10.097 4.894 1.00 0.00 C ATOM 2032 O ARG A 133 -0.734 -11.190 4.853 1.00 0.00 O ATOM 2033 CB ARG A 133 0.175 -8.184 5.545 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.663 -7.962 6.794 1.00 0.00 C ATOM 2035 CD ARG A 133 0.209 -7.811 8.031 1.00 0.00 C ATOM 2036 NE ARG A 133 -0.585 -7.728 9.253 1.00 0.00 N ATOM 2037 CZ ARG A 133 -0.060 -7.753 10.473 1.00 0.00 C ATOM 2038 NH1 ARG A 133 1.252 -7.858 10.632 1.00 0.00 N ATOM 2039 NH2 ARG A 133 -0.848 -7.672 11.538 1.00 0.00 N ATOM 0 H ARG A 133 -1.364 -6.916 4.044 1.00 0.00 H new ATOM 0 HA ARG A 133 0.104 -9.116 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.030 -8.810 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.570 -7.226 5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.276 -7.069 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.346 -8.801 6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.892 -8.658 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.822 -6.915 7.935 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.598 -7.646 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.861 -7.920 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.652 -7.877 11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.858 -7.590 11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.444 -7.691 12.474 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.532 -9.936 5.363 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.310 -11.062 5.868 1.00 0.00 C ATOM 2055 C GLU A 134 -4.207 -11.637 4.777 1.00 0.00 C ATOM 2056 O GLU A 134 -4.006 -12.763 4.320 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.158 -10.628 7.065 1.00 0.00 C ATOM 2058 CG GLU A 134 -4.948 -11.763 7.695 1.00 0.00 C ATOM 2059 CD GLU A 134 -4.057 -12.814 8.328 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -2.918 -12.474 8.710 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -4.499 -13.976 8.441 1.00 0.00 O ATOM 0 H GLU A 134 -3.014 -9.038 5.404 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.614 -11.838 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.507 -10.187 7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.850 -9.848 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -5.619 -11.357 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.572 -12.232 6.934 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.201 -10.856 4.363 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.130 -11.287 3.325 1.00 0.00 C ATOM 2070 C HIS A 135 -5.388 -11.964 2.177 1.00 0.00 C ATOM 2071 O HIS A 135 -5.743 -13.066 1.759 1.00 0.00 O ATOM 2072 CB HIS A 135 -6.928 -10.093 2.798 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.153 -9.789 3.603 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.409 -10.251 3.266 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.311 -9.067 4.737 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.286 -9.824 4.157 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -9.645 -9.103 5.060 1.00 0.00 N ATOM 0 H HIS A 135 -5.383 -9.922 4.731 1.00 0.00 H new ATOM 0 HA HIS A 135 -6.818 -12.009 3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.284 -9.213 2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.221 -10.289 1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.533 -8.557 5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.346 -10.029 4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.072 -8.647 5.866 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.355 -11.298 1.672 1.00 0.00 N ATOM 2087 CA ALA A 136 -3.562 -11.836 0.574 1.00 0.00 C ATOM 2088 C ALA A 136 -3.458 -13.355 0.664 1.00 0.00 C ATOM 2089 O ALA A 136 -4.037 -14.075 -0.149 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.175 -11.210 0.568 1.00 0.00 C ATOM 0 H ALA A 136 -4.048 -10.385 2.006 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.065 -11.587 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -1.594 -11.621 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.264 -10.130 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.673 -11.429 1.510 1.00 0.00 H new ATOM 2096 N SER A 137 -2.718 -13.835 1.658 1.00 0.00 N ATOM 2097 CA SER A 137 -2.536 -15.269 1.852 1.00 0.00 C ATOM 2098 C SER A 137 -3.859 -16.011 1.691 1.00 0.00 C ATOM 2099 O SER A 137 -3.901 -17.119 1.157 1.00 0.00 O ATOM 2100 CB SER A 137 -1.946 -15.547 3.236 1.00 0.00 C ATOM 2101 OG SER A 137 -1.015 -14.544 3.605 1.00 0.00 O ATOM 0 H SER A 137 -2.235 -13.252 2.342 1.00 0.00 H new ATOM 0 HA SER A 137 -1.843 -15.629 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.747 -15.593 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.456 -16.521 3.237 1.00 0.00 H new ATOM 0 HG SER A 137 -0.654 -14.744 4.494 1.00 0.00 H new ATOM 2107 N GLY A 138 -4.938 -15.392 2.159 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.249 -16.008 2.059 1.00 0.00 C ATOM 2109 C GLY A 138 -6.632 -16.325 0.627 1.00 0.00 C ATOM 2110 O GLY A 138 -6.968 -17.465 0.305 1.00 0.00 O ATOM 0 H GLY A 138 -4.928 -14.475 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.262 -16.926 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.995 -15.341 2.492 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.585 -15.314 -0.234 1.00 0.00 N ATOM 2115 CA TYR A 139 -6.935 -15.490 -1.638 1.00 0.00 C ATOM 2116 C TYR A 139 -6.038 -16.533 -2.297 1.00 0.00 C ATOM 2117 O TYR A 139 -6.517 -17.441 -2.977 1.00 0.00 O ATOM 2118 CB TYR A 139 -6.820 -14.159 -2.384 1.00 0.00 C ATOM 2119 CG TYR A 139 -7.863 -13.144 -1.974 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.138 -13.166 -2.526 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.573 -12.161 -1.036 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.093 -12.240 -2.155 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.522 -11.232 -0.657 1.00 0.00 C ATOM 2124 CZ TYR A 139 -9.781 -11.275 -1.220 1.00 0.00 C ATOM 2125 OH TYR A 139 -10.729 -10.351 -0.847 1.00 0.00 O ATOM 0 H TYR A 139 -6.308 -14.365 0.016 1.00 0.00 H new ATOM 0 HA TYR A 139 -7.966 -15.840 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -5.829 -13.739 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -6.906 -14.344 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.386 -13.920 -3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -6.588 -12.123 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.079 -12.271 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.280 -10.476 0.076 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.571 -10.077 0.080 1.00 0.00 H new ATOM 2135 N VAL A 140 -4.732 -16.398 -2.088 1.00 0.00 N ATOM 2136 CA VAL A 140 -3.766 -17.329 -2.659 1.00 0.00 C ATOM 2137 C VAL A 140 -4.163 -18.774 -2.377 1.00 0.00 C ATOM 2138 O VAL A 140 -3.994 -19.269 -1.263 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.351 -17.079 -2.105 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.358 -18.056 -2.716 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -1.924 -15.642 -2.361 1.00 0.00 C ATOM 0 H VAL A 140 -4.319 -15.653 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.761 -17.160 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.368 -17.242 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.364 -17.864 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.657 -19.076 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.341 -17.929 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -0.922 -15.484 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.923 -15.448 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.621 -14.962 -1.870 1.00 0.00 H new