USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 877 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 66 THR OG1 : rot -72:sc= 0.574 USER MOD Set 1.2: A 115 THR OG1 : rot 110:sc= 1.84 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= -0.76 USER MOD Set 2.2: A 112 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 39 SER OG : rot -96:sc= 1.01 USER MOD Set 3.2: A 41 GLN : amide:sc= -4.19! C(o=-3.2!,f=-10!) USER MOD Single : A 8 THR OG1 : rot 150:sc= 0 USER MOD Single : A 10 THR OG1 : rot 178:sc= 1.49 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.387 USER MOD Single : A 18 HIS : no HD1:sc= -0.024 X(o=-0.024,f=-0.00042) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.11) USER MOD Single : A 30 THR OG1 : rot -70:sc= 0.619 USER MOD Single : A 34 SER OG : rot 63:sc= 1.31 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 2:sc= 0.376 USER MOD Single : A 46 ASN : amide:sc= -3.07 K(o=-3.1,f=-2.2) USER MOD Single : A 49 SER OG : rot 180:sc= -0.187 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 51 GLN : amide:sc= -0.854 K(o=-0.85,f=-3.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.5 X(o=-1.5,f=-2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 159:sc= 0.246 USER MOD Single : A 71 GLN : amide:sc= -2.62 X(o=-2.6,f=-2.9!) USER MOD Single : A 73 SER OG : rot -34:sc= 1.08 USER MOD Single : A 74 ASN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 76 SER OG : rot -31:sc= 0.822 USER MOD Single : A 78 SER OG : rot -43:sc=5.39e-05 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.45) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -97:sc= 0.118 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0679 USER MOD Single : A 100 THR OG1 : rot 11:sc= 0.774 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.263 K(o=0.26,f=-1.8!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -27:sc= 0.229 USER MOD Single : A 118 THR OG1 : rot 116:sc= 1.5 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 55:sc= -0.603 USER MOD Single : A 123 SER OG : rot -63:sc= 0.0107 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 7 -3.680 -9.247 -7.209 1.00 0.00 N ATOM 100 CA ALA A 7 -4.922 -8.784 -6.601 1.00 0.00 C ATOM 101 C ALA A 7 -4.688 -7.532 -5.762 1.00 0.00 C ATOM 102 O ALA A 7 -3.917 -7.548 -4.802 1.00 0.00 O ATOM 103 CB ALA A 7 -5.534 -9.886 -5.748 1.00 0.00 C ATOM 0 HA ALA A 7 -5.617 -8.530 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.461 -9.527 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.745 -10.754 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.835 -10.167 -4.960 1.00 0.00 H new ATOM 109 N THR A 8 -5.358 -6.444 -6.132 1.00 0.00 N ATOM 110 CA THR A 8 -5.223 -5.182 -5.416 1.00 0.00 C ATOM 111 C THR A 8 -6.584 -4.547 -5.159 1.00 0.00 C ATOM 112 O THR A 8 -7.540 -4.788 -5.895 1.00 0.00 O ATOM 113 CB THR A 8 -4.342 -4.186 -6.194 1.00 0.00 C ATOM 114 OG1 THR A 8 -5.159 -3.362 -7.032 1.00 0.00 O ATOM 115 CG2 THR A 8 -3.315 -4.921 -7.043 1.00 0.00 C ATOM 0 H THR A 8 -6.000 -6.412 -6.924 1.00 0.00 H new ATOM 0 HA THR A 8 -4.746 -5.409 -4.463 1.00 0.00 H new ATOM 0 HB THR A 8 -3.814 -3.561 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.737 -2.484 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.705 -4.197 -7.583 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.676 -5.526 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.827 -5.567 -7.756 1.00 0.00 H new ATOM 123 N ALA A 9 -6.663 -3.733 -4.112 1.00 0.00 N ATOM 124 CA ALA A 9 -7.907 -3.060 -3.760 1.00 0.00 C ATOM 125 C ALA A 9 -7.636 -1.702 -3.122 1.00 0.00 C ATOM 126 O ALA A 9 -6.690 -1.544 -2.350 1.00 0.00 O ATOM 127 CB ALA A 9 -8.731 -3.931 -2.821 1.00 0.00 C ATOM 0 H ALA A 9 -5.880 -3.524 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.473 -2.895 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.657 -3.416 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.964 -4.876 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.162 -4.125 -1.912 1.00 0.00 H new ATOM 133 N THR A 10 -8.471 -0.721 -3.451 1.00 0.00 N ATOM 134 CA THR A 10 -8.320 0.624 -2.911 1.00 0.00 C ATOM 135 C THR A 10 -9.674 1.238 -2.576 1.00 0.00 C ATOM 136 O THR A 10 -10.720 0.658 -2.872 1.00 0.00 O ATOM 137 CB THR A 10 -7.583 1.546 -3.902 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.470 1.945 -4.953 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.369 0.845 -4.493 1.00 0.00 C ATOM 0 H THR A 10 -9.259 -0.833 -4.089 1.00 0.00 H new ATOM 0 HA THR A 10 -7.730 0.534 -1.999 1.00 0.00 H new ATOM 0 HB THR A 10 -7.244 2.429 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.002 2.553 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.865 1.515 -5.189 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.682 0.570 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.689 -0.053 -5.021 1.00 0.00 H new ATOM 147 N SER A 11 -9.649 2.414 -1.957 1.00 0.00 N ATOM 148 CA SER A 11 -10.876 3.104 -1.578 1.00 0.00 C ATOM 149 C SER A 11 -11.073 4.363 -2.417 1.00 0.00 C ATOM 150 O SER A 11 -12.187 4.678 -2.835 1.00 0.00 O ATOM 151 CB SER A 11 -10.844 3.468 -0.093 1.00 0.00 C ATOM 152 OG SER A 11 -11.848 4.417 0.222 1.00 0.00 O ATOM 0 H SER A 11 -8.793 2.909 -1.707 1.00 0.00 H new ATOM 0 HA SER A 11 -11.713 2.431 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.987 2.570 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.865 3.871 0.165 1.00 0.00 H new ATOM 0 HG SER A 11 -11.807 4.632 1.177 1.00 0.00 H new ATOM 158 N SER A 12 -9.980 5.080 -2.662 1.00 0.00 N ATOM 159 CA SER A 12 -10.031 6.308 -3.448 1.00 0.00 C ATOM 160 C SER A 12 -9.356 6.114 -4.802 1.00 0.00 C ATOM 161 O SER A 12 -8.316 5.463 -4.902 1.00 0.00 O ATOM 162 CB SER A 12 -9.356 7.452 -2.689 1.00 0.00 C ATOM 163 OG SER A 12 -7.996 7.156 -2.423 1.00 0.00 O ATOM 0 H SER A 12 -9.049 4.832 -2.328 1.00 0.00 H new ATOM 0 HA SER A 12 -11.078 6.560 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.424 8.370 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.882 7.631 -1.751 1.00 0.00 H new ATOM 0 HG SER A 12 -7.587 7.904 -1.939 1.00 0.00 H new ATOM 169 N ILE A 13 -9.957 6.682 -5.842 1.00 0.00 N ATOM 170 CA ILE A 13 -9.415 6.572 -7.190 1.00 0.00 C ATOM 171 C ILE A 13 -10.266 7.349 -8.190 1.00 0.00 C ATOM 172 O ILE A 13 -11.487 7.199 -8.228 1.00 0.00 O ATOM 173 CB ILE A 13 -9.324 5.103 -7.644 1.00 0.00 C ATOM 174 CG1 ILE A 13 -8.147 4.915 -8.603 1.00 0.00 C ATOM 175 CG2 ILE A 13 -10.625 4.670 -8.301 1.00 0.00 C ATOM 176 CD1 ILE A 13 -8.226 5.788 -9.836 1.00 0.00 C ATOM 0 H ILE A 13 -10.819 7.223 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.412 6.997 -7.161 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.157 4.477 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.219 5.132 -8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.102 3.870 -8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.545 3.630 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.444 4.771 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.821 5.298 -9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.359 5.602 -10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.136 5.556 -10.389 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.240 6.837 -9.539 1.00 0.00 H new ATOM 188 N GLU A 14 -9.612 8.177 -8.998 1.00 0.00 N ATOM 189 CA GLU A 14 -10.310 8.976 -9.999 1.00 0.00 C ATOM 190 C GLU A 14 -11.217 8.100 -10.859 1.00 0.00 C ATOM 191 O GLU A 14 -12.442 8.181 -10.773 1.00 0.00 O ATOM 192 CB GLU A 14 -9.305 9.715 -10.885 1.00 0.00 C ATOM 193 CG GLU A 14 -8.854 11.048 -10.314 1.00 0.00 C ATOM 194 CD GLU A 14 -7.487 11.467 -10.819 1.00 0.00 C ATOM 195 OE1 GLU A 14 -6.643 10.577 -11.052 1.00 0.00 O ATOM 196 OE2 GLU A 14 -7.261 12.684 -10.981 1.00 0.00 O ATOM 0 H GLU A 14 -8.601 8.312 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.929 9.706 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.432 9.080 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.752 9.882 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.584 11.815 -10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.831 10.984 -9.226 1.00 0.00 H new ATOM 203 N THR A 15 -10.604 7.262 -11.691 1.00 0.00 N ATOM 204 CA THR A 15 -11.354 6.373 -12.568 1.00 0.00 C ATOM 205 C THR A 15 -12.226 5.415 -11.765 1.00 0.00 C ATOM 206 O THR A 15 -12.442 5.612 -10.569 1.00 0.00 O ATOM 207 CB THR A 15 -10.414 5.555 -13.475 1.00 0.00 C ATOM 208 OG1 THR A 15 -11.160 4.959 -14.543 1.00 0.00 O ATOM 209 CG2 THR A 15 -9.703 4.471 -12.680 1.00 0.00 C ATOM 0 H THR A 15 -9.591 7.181 -11.775 1.00 0.00 H new ATOM 0 HA THR A 15 -11.989 7.004 -13.189 1.00 0.00 H new ATOM 0 HB THR A 15 -9.665 6.231 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.555 4.442 -15.116 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.045 3.907 -13.341 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.113 4.930 -11.886 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.440 3.798 -12.242 1.00 0.00 H new ATOM 217 N ALA A 16 -12.724 4.377 -12.429 1.00 0.00 N ATOM 218 CA ALA A 16 -13.571 3.386 -11.775 1.00 0.00 C ATOM 219 C ALA A 16 -12.741 2.234 -11.220 1.00 0.00 C ATOM 220 O ALA A 16 -13.092 1.067 -11.385 1.00 0.00 O ATOM 221 CB ALA A 16 -14.618 2.864 -12.748 1.00 0.00 C ATOM 0 H ALA A 16 -12.556 4.200 -13.419 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.076 3.870 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.244 2.125 -12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.239 3.691 -13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.123 2.401 -13.602 1.00 0.00 H new ATOM 227 N GLY A 17 -11.636 2.571 -10.560 1.00 0.00 N ATOM 228 CA GLY A 17 -10.772 1.553 -9.991 1.00 0.00 C ATOM 229 C GLY A 17 -10.393 0.486 -10.999 1.00 0.00 C ATOM 230 O GLY A 17 -10.804 -0.668 -10.876 1.00 0.00 O ATOM 0 H GLY A 17 -11.324 3.531 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.867 2.023 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.274 1.086 -9.144 1.00 0.00 H new ATOM 234 N HIS A 18 -9.606 0.871 -11.999 1.00 0.00 N ATOM 235 CA HIS A 18 -9.172 -0.061 -13.032 1.00 0.00 C ATOM 236 C HIS A 18 -7.650 -0.178 -13.055 1.00 0.00 C ATOM 237 O HIS A 18 -7.103 -1.189 -13.494 1.00 0.00 O ATOM 238 CB HIS A 18 -9.680 0.390 -14.402 1.00 0.00 C ATOM 239 CG HIS A 18 -10.302 -0.713 -15.203 1.00 0.00 C ATOM 240 ND1 HIS A 18 -9.875 -1.059 -16.467 1.00 0.00 N ATOM 241 CD2 HIS A 18 -11.326 -1.550 -14.911 1.00 0.00 C ATOM 242 CE1 HIS A 18 -10.609 -2.060 -16.919 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.497 -2.377 -15.993 1.00 0.00 N ATOM 0 H HIS A 18 -9.256 1.822 -12.115 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.591 -1.040 -12.801 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.412 1.186 -14.265 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.850 0.814 -14.967 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.901 -1.564 -13.997 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.502 -2.538 -17.882 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.196 -3.116 -16.070 1.00 0.00 H new ATOM 251 N GLU A 19 -6.975 0.863 -12.578 1.00 0.00 N ATOM 252 CA GLU A 19 -5.517 0.876 -12.545 1.00 0.00 C ATOM 253 C GLU A 19 -4.985 -0.178 -11.580 1.00 0.00 C ATOM 254 O GLU A 19 -3.843 -0.620 -11.693 1.00 0.00 O ATOM 255 CB GLU A 19 -5.007 2.260 -12.139 1.00 0.00 C ATOM 256 CG GLU A 19 -4.515 3.095 -13.309 1.00 0.00 C ATOM 257 CD GLU A 19 -5.606 3.962 -13.906 1.00 0.00 C ATOM 258 OE1 GLU A 19 -6.347 3.464 -14.779 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.720 5.137 -13.502 1.00 0.00 O ATOM 0 H GLU A 19 -7.413 1.707 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.154 0.642 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.807 2.798 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.196 2.143 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.693 3.729 -12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.118 2.435 -14.080 1.00 0.00 H new ATOM 266 N GLY A 20 -5.823 -0.577 -10.626 1.00 0.00 N ATOM 267 CA GLY A 20 -5.419 -1.575 -9.654 1.00 0.00 C ATOM 268 C GLY A 20 -4.990 -2.877 -10.302 1.00 0.00 C ATOM 269 O GLY A 20 -4.016 -3.498 -9.878 1.00 0.00 O ATOM 0 H GLY A 20 -6.774 -0.226 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.597 -1.183 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.246 -1.768 -8.971 1.00 0.00 H new ATOM 273 N ASP A 21 -5.719 -3.291 -11.333 1.00 0.00 N ATOM 274 CA ASP A 21 -5.409 -4.528 -12.041 1.00 0.00 C ATOM 275 C ASP A 21 -4.224 -4.332 -12.981 1.00 0.00 C ATOM 276 O ASP A 21 -3.753 -5.280 -13.610 1.00 0.00 O ATOM 277 CB ASP A 21 -6.629 -5.008 -12.830 1.00 0.00 C ATOM 278 CG ASP A 21 -6.589 -4.570 -14.281 1.00 0.00 C ATOM 279 OD1 ASP A 21 -6.310 -3.381 -14.533 1.00 0.00 O ATOM 280 OD2 ASP A 21 -6.838 -5.418 -15.163 1.00 0.00 O ATOM 0 H ASP A 21 -6.528 -2.788 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.143 -5.285 -11.303 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.683 -6.096 -12.783 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.535 -4.623 -12.362 1.00 0.00 H new ATOM 285 N LYS A 22 -3.747 -3.095 -13.074 1.00 0.00 N ATOM 286 CA LYS A 22 -2.616 -2.774 -13.938 1.00 0.00 C ATOM 287 C LYS A 22 -1.305 -3.246 -13.316 1.00 0.00 C ATOM 288 O LYS A 22 -0.247 -3.158 -13.937 1.00 0.00 O ATOM 289 CB LYS A 22 -2.558 -1.267 -14.196 1.00 0.00 C ATOM 290 CG LYS A 22 -2.217 -0.909 -15.632 1.00 0.00 C ATOM 291 CD LYS A 22 -3.259 0.016 -16.239 1.00 0.00 C ATOM 292 CE LYS A 22 -2.618 1.070 -17.129 1.00 0.00 C ATOM 293 NZ LYS A 22 -3.178 1.045 -18.509 1.00 0.00 N ATOM 0 H LYS A 22 -4.126 -2.298 -12.562 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.755 -3.294 -14.886 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.521 -0.825 -13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.816 -0.822 -13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.239 -0.429 -15.666 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.146 -1.819 -16.228 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.971 -0.569 -16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.822 0.504 -15.443 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.772 2.057 -16.692 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.541 0.904 -17.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.716 1.778 -19.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.009 0.112 -18.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.201 1.228 -18.472 1.00 0.00 H new ATOM 307 N ALA A 23 -1.385 -3.746 -12.087 1.00 0.00 N ATOM 308 CA ALA A 23 -0.205 -4.234 -11.384 1.00 0.00 C ATOM 309 C ALA A 23 0.267 -5.564 -11.961 1.00 0.00 C ATOM 310 O ALA A 23 1.327 -6.071 -11.592 1.00 0.00 O ATOM 311 CB ALA A 23 -0.498 -4.375 -9.897 1.00 0.00 C ATOM 0 H ALA A 23 -2.254 -3.824 -11.558 1.00 0.00 H new ATOM 0 HA ALA A 23 0.595 -3.506 -11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.392 -4.740 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.780 -3.405 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.316 -5.081 -9.753 1.00 0.00 H new ATOM 317 N VAL A 24 -0.526 -6.125 -12.868 1.00 0.00 N ATOM 318 CA VAL A 24 -0.189 -7.397 -13.497 1.00 0.00 C ATOM 319 C VAL A 24 1.245 -7.390 -14.015 1.00 0.00 C ATOM 320 O VAL A 24 1.915 -8.423 -14.029 1.00 0.00 O ATOM 321 CB VAL A 24 -1.144 -7.718 -14.662 1.00 0.00 C ATOM 322 CG1 VAL A 24 -0.700 -8.980 -15.383 1.00 0.00 C ATOM 323 CG2 VAL A 24 -2.572 -7.856 -14.157 1.00 0.00 C ATOM 0 H VAL A 24 -1.407 -5.719 -13.184 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.292 -8.166 -12.732 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.113 -6.893 -15.373 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.386 -9.191 -16.203 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.306 -8.838 -15.779 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.700 -9.817 -14.685 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.233 -8.083 -14.993 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.623 -8.662 -13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.885 -6.922 -13.690 1.00 0.00 H new ATOM 333 N ASP A 25 1.708 -6.221 -14.442 1.00 0.00 N ATOM 334 CA ASP A 25 3.064 -6.078 -14.960 1.00 0.00 C ATOM 335 C ASP A 25 4.094 -6.289 -13.854 1.00 0.00 C ATOM 336 O ASP A 25 5.110 -6.953 -14.056 1.00 0.00 O ATOM 337 CB ASP A 25 3.248 -4.698 -15.592 1.00 0.00 C ATOM 338 CG ASP A 25 3.834 -4.774 -16.989 1.00 0.00 C ATOM 339 OD1 ASP A 25 4.990 -5.224 -17.123 1.00 0.00 O ATOM 340 OD2 ASP A 25 3.134 -4.383 -17.947 1.00 0.00 O ATOM 0 H ASP A 25 1.164 -5.358 -14.440 1.00 0.00 H new ATOM 0 HA ASP A 25 3.218 -6.841 -15.723 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.285 -4.189 -15.632 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.901 -4.096 -14.960 1.00 0.00 H new ATOM 345 N GLY A 26 3.824 -5.715 -12.685 1.00 0.00 N ATOM 346 CA GLY A 26 4.737 -5.849 -11.565 1.00 0.00 C ATOM 347 C GLY A 26 6.024 -5.074 -11.769 1.00 0.00 C ATOM 348 O GLY A 26 7.062 -5.423 -11.210 1.00 0.00 O ATOM 0 H GLY A 26 2.990 -5.160 -12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.246 -5.499 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.971 -6.903 -11.415 1.00 0.00 H new ATOM 352 N ASN A 27 5.953 -4.018 -12.573 1.00 0.00 N ATOM 353 CA ASN A 27 7.123 -3.191 -12.851 1.00 0.00 C ATOM 354 C ASN A 27 6.725 -1.728 -13.030 1.00 0.00 C ATOM 355 O ASN A 27 5.597 -1.341 -12.726 1.00 0.00 O ATOM 356 CB ASN A 27 7.841 -3.692 -14.106 1.00 0.00 C ATOM 357 CG ASN A 27 9.343 -3.774 -13.918 1.00 0.00 C ATOM 358 OD1 ASN A 27 10.098 -3.012 -14.524 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.785 -4.701 -13.076 1.00 0.00 N ATOM 0 H ASN A 27 5.100 -3.715 -13.043 1.00 0.00 H new ATOM 0 HA ASN A 27 7.799 -3.264 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.457 -4.676 -14.373 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.618 -3.026 -14.939 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.786 -4.803 -12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.123 -5.311 -12.596 1.00 0.00 H new ATOM 366 N ALA A 28 7.658 -0.923 -13.525 1.00 0.00 N ATOM 367 CA ALA A 28 7.405 0.495 -13.746 1.00 0.00 C ATOM 368 C ALA A 28 6.279 0.701 -14.755 1.00 0.00 C ATOM 369 O ALA A 28 5.713 1.789 -14.853 1.00 0.00 O ATOM 370 CB ALA A 28 8.673 1.191 -14.218 1.00 0.00 C ATOM 0 H ALA A 28 8.597 -1.229 -13.781 1.00 0.00 H new ATOM 0 HA ALA A 28 7.094 0.935 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.469 2.250 -14.379 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.451 1.082 -13.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.009 0.740 -15.152 1.00 0.00 H new ATOM 376 N ALA A 29 5.961 -0.351 -15.501 1.00 0.00 N ATOM 377 CA ALA A 29 4.902 -0.285 -16.501 1.00 0.00 C ATOM 378 C ALA A 29 3.536 -0.115 -15.844 1.00 0.00 C ATOM 379 O ALA A 29 2.545 0.176 -16.514 1.00 0.00 O ATOM 380 CB ALA A 29 4.920 -1.534 -17.370 1.00 0.00 C ATOM 0 H ALA A 29 6.421 -1.259 -15.432 1.00 0.00 H new ATOM 0 HA ALA A 29 5.084 0.586 -17.131 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.124 -1.472 -18.113 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.883 -1.612 -17.875 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.766 -2.414 -16.746 1.00 0.00 H new ATOM 386 N THR A 30 3.491 -0.300 -14.528 1.00 0.00 N ATOM 387 CA THR A 30 2.247 -0.168 -13.782 1.00 0.00 C ATOM 388 C THR A 30 2.152 1.195 -13.106 1.00 0.00 C ATOM 389 O THR A 30 3.120 1.674 -12.513 1.00 0.00 O ATOM 390 CB THR A 30 2.115 -1.269 -12.712 1.00 0.00 C ATOM 391 OG1 THR A 30 2.931 -0.952 -11.579 1.00 0.00 O ATOM 392 CG2 THR A 30 2.522 -2.622 -13.275 1.00 0.00 C ATOM 0 H THR A 30 4.302 -0.542 -13.958 1.00 0.00 H new ATOM 0 HA THR A 30 1.435 -0.270 -14.502 1.00 0.00 H new ATOM 0 HB THR A 30 1.071 -1.321 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.876 -1.043 -11.821 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.421 -3.383 -12.502 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.879 -2.874 -14.118 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.559 -2.580 -13.609 1.00 0.00 H new ATOM 400 N ARG A 31 0.981 1.816 -13.198 1.00 0.00 N ATOM 401 CA ARG A 31 0.761 3.126 -12.595 1.00 0.00 C ATOM 402 C ARG A 31 -0.573 3.167 -11.857 1.00 0.00 C ATOM 403 O ARG A 31 -1.495 2.417 -12.178 1.00 0.00 O ATOM 404 CB ARG A 31 0.798 4.216 -13.667 1.00 0.00 C ATOM 405 CG ARG A 31 0.023 3.860 -14.926 1.00 0.00 C ATOM 406 CD ARG A 31 0.064 4.988 -15.944 1.00 0.00 C ATOM 407 NE ARG A 31 -0.454 4.572 -17.245 1.00 0.00 N ATOM 408 CZ ARG A 31 -0.649 5.406 -18.259 1.00 0.00 C ATOM 409 NH1 ARG A 31 -0.371 6.695 -18.125 1.00 0.00 N ATOM 410 NH2 ARG A 31 -1.124 4.951 -19.411 1.00 0.00 N ATOM 0 H ARG A 31 0.170 1.434 -13.684 1.00 0.00 H new ATOM 0 HA ARG A 31 1.560 3.307 -11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.393 5.138 -13.250 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.836 4.416 -13.934 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.440 2.955 -15.367 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.013 3.640 -14.667 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.520 5.831 -15.574 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.091 5.337 -16.057 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.678 3.586 -17.382 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.006 7.049 -17.241 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.522 7.333 -18.906 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.340 3.960 -19.518 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.274 5.592 -20.190 1.00 0.00 H new ATOM 424 N TRP A 32 -0.669 4.048 -10.868 1.00 0.00 N ATOM 425 CA TRP A 32 -1.891 4.186 -10.083 1.00 0.00 C ATOM 426 C TRP A 32 -2.210 5.655 -9.828 1.00 0.00 C ATOM 427 O TRP A 32 -1.328 6.440 -9.481 1.00 0.00 O ATOM 428 CB TRP A 32 -1.755 3.443 -8.753 1.00 0.00 C ATOM 429 CG TRP A 32 -2.886 3.706 -7.806 1.00 0.00 C ATOM 430 CD1 TRP A 32 -2.884 4.568 -6.746 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.185 3.103 -7.834 1.00 0.00 C ATOM 432 NE1 TRP A 32 -4.103 4.536 -6.113 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.919 3.646 -6.762 1.00 0.00 C ATOM 434 CE3 TRP A 32 -4.799 2.160 -8.661 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.234 3.274 -6.497 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.104 1.791 -8.396 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.811 2.348 -7.322 1.00 0.00 C ATOM 0 H TRP A 32 0.084 4.677 -10.590 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.711 3.748 -10.653 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.696 2.372 -8.948 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.818 3.733 -8.278 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.048 5.184 -6.449 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.359 5.086 -5.293 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.263 1.727 -9.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.780 3.702 -5.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.588 1.061 -9.028 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.831 2.040 -7.142 1.00 0.00 H new ATOM 448 N ALA A 33 -3.476 6.020 -10.002 1.00 0.00 N ATOM 449 CA ALA A 33 -3.911 7.394 -9.788 1.00 0.00 C ATOM 450 C ALA A 33 -4.721 7.520 -8.503 1.00 0.00 C ATOM 451 O ALA A 33 -4.764 6.595 -7.692 1.00 0.00 O ATOM 452 CB ALA A 33 -4.726 7.882 -10.977 1.00 0.00 C ATOM 0 H ALA A 33 -4.218 5.383 -10.291 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.023 8.018 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.044 8.910 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.115 7.839 -11.879 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.603 7.247 -11.102 1.00 0.00 H new ATOM 458 N SER A 34 -5.363 8.670 -8.322 1.00 0.00 N ATOM 459 CA SER A 34 -6.169 8.919 -7.133 1.00 0.00 C ATOM 460 C SER A 34 -7.089 10.118 -7.340 1.00 0.00 C ATOM 461 O SER A 34 -6.807 10.997 -8.154 1.00 0.00 O ATOM 462 CB SER A 34 -5.266 9.157 -5.921 1.00 0.00 C ATOM 463 OG SER A 34 -3.974 9.577 -6.322 1.00 0.00 O ATOM 0 H SER A 34 -5.340 9.445 -8.985 1.00 0.00 H new ATOM 0 HA SER A 34 -6.786 8.039 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.712 9.912 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.189 8.241 -5.336 1.00 0.00 H new ATOM 0 HG SER A 34 -4.040 10.436 -6.789 1.00 0.00 H new ATOM 469 N ALA A 35 -8.191 10.146 -6.598 1.00 0.00 N ATOM 470 CA ALA A 35 -9.151 11.237 -6.698 1.00 0.00 C ATOM 471 C ALA A 35 -9.265 11.991 -5.377 1.00 0.00 C ATOM 472 O ALA A 35 -9.438 11.387 -4.319 1.00 0.00 O ATOM 473 CB ALA A 35 -10.513 10.704 -7.121 1.00 0.00 C ATOM 0 H ALA A 35 -8.441 9.425 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.793 11.934 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.221 11.530 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.427 10.215 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.867 9.985 -6.383 1.00 0.00 H new ATOM 479 N TYR A 36 -9.166 13.313 -5.446 1.00 0.00 N ATOM 480 CA TYR A 36 -9.255 14.151 -4.255 1.00 0.00 C ATOM 481 C TYR A 36 -10.413 13.712 -3.367 1.00 0.00 C ATOM 482 O TYR A 36 -11.415 13.183 -3.848 1.00 0.00 O ATOM 483 CB TYR A 36 -9.427 15.618 -4.650 1.00 0.00 C ATOM 484 CG TYR A 36 -10.237 15.816 -5.911 1.00 0.00 C ATOM 485 CD1 TYR A 36 -11.625 15.740 -5.888 1.00 0.00 C ATOM 486 CD2 TYR A 36 -9.616 16.077 -7.126 1.00 0.00 C ATOM 487 CE1 TYR A 36 -12.369 15.918 -7.038 1.00 0.00 C ATOM 488 CE2 TYR A 36 -10.353 16.258 -8.281 1.00 0.00 C ATOM 489 CZ TYR A 36 -11.729 16.177 -8.231 1.00 0.00 C ATOM 490 OH TYR A 36 -12.466 16.356 -9.380 1.00 0.00 O ATOM 0 H TYR A 36 -9.024 13.829 -6.314 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.328 14.040 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.909 16.152 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.443 16.066 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.130 15.538 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.539 16.140 -7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.447 15.855 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.854 16.462 -9.217 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.862 16.531 -10.132 1.00 0.00 H new ATOM 500 N GLY A 37 -10.269 13.935 -2.064 1.00 0.00 N ATOM 501 CA GLY A 37 -11.310 13.557 -1.127 1.00 0.00 C ATOM 502 C GLY A 37 -11.242 12.092 -0.742 1.00 0.00 C ATOM 503 O GLY A 37 -10.388 11.355 -1.233 1.00 0.00 O ATOM 0 H GLY A 37 -9.450 14.371 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.226 14.169 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.285 13.769 -1.567 1.00 0.00 H new ATOM 507 N ALA A 38 -12.144 11.670 0.137 1.00 0.00 N ATOM 508 CA ALA A 38 -12.182 10.284 0.587 1.00 0.00 C ATOM 509 C ALA A 38 -10.917 9.921 1.357 1.00 0.00 C ATOM 510 O ALA A 38 -10.317 8.871 1.124 1.00 0.00 O ATOM 511 CB ALA A 38 -12.366 9.349 -0.600 1.00 0.00 C ATOM 0 H ALA A 38 -12.859 12.268 0.552 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.031 10.170 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.393 8.317 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.302 9.584 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.535 9.475 -1.295 1.00 0.00 H new ATOM 517 N SER A 39 -10.517 10.795 2.275 1.00 0.00 N ATOM 518 CA SER A 39 -9.321 10.568 3.076 1.00 0.00 C ATOM 519 C SER A 39 -9.688 10.096 4.480 1.00 0.00 C ATOM 520 O SER A 39 -10.820 10.254 4.939 1.00 0.00 O ATOM 521 CB SER A 39 -8.486 11.847 3.157 1.00 0.00 C ATOM 522 OG SER A 39 -7.410 11.814 2.234 1.00 0.00 O ATOM 0 H SER A 39 -11.004 11.667 2.482 1.00 0.00 H new ATOM 0 HA SER A 39 -8.732 9.788 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.118 12.711 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.098 11.968 4.168 1.00 0.00 H new ATOM 0 HG SER A 39 -6.597 11.510 2.690 1.00 0.00 H new ATOM 528 N PRO A 40 -8.709 9.504 5.180 1.00 0.00 N ATOM 529 CA PRO A 40 -7.359 9.310 4.643 1.00 0.00 C ATOM 530 C PRO A 40 -7.322 8.273 3.525 1.00 0.00 C ATOM 531 O PRO A 40 -8.277 7.520 3.334 1.00 0.00 O ATOM 532 CB PRO A 40 -6.564 8.817 5.854 1.00 0.00 C ATOM 533 CG PRO A 40 -7.579 8.189 6.745 1.00 0.00 C ATOM 534 CD PRO A 40 -8.846 8.976 6.547 1.00 0.00 C ATOM 0 HA PRO A 40 -6.963 10.223 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.798 8.099 5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.054 9.640 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.727 7.140 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.258 8.221 7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.730 8.346 6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.940 9.777 7.280 1.00 0.00 H new ATOM 542 N GLN A 41 -6.215 8.240 2.790 1.00 0.00 N ATOM 543 CA GLN A 41 -6.055 7.295 1.691 1.00 0.00 C ATOM 544 C GLN A 41 -5.306 6.049 2.150 1.00 0.00 C ATOM 545 O GLN A 41 -4.591 6.076 3.151 1.00 0.00 O ATOM 546 CB GLN A 41 -5.310 7.955 0.529 1.00 0.00 C ATOM 547 CG GLN A 41 -5.637 9.428 0.353 1.00 0.00 C ATOM 548 CD GLN A 41 -4.744 10.328 1.185 1.00 0.00 C ATOM 549 OE1 GLN A 41 -5.077 10.675 2.318 1.00 0.00 O ATOM 550 NE2 GLN A 41 -3.602 10.710 0.624 1.00 0.00 N ATOM 0 H GLN A 41 -5.416 8.857 2.936 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.047 6.996 1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.237 7.846 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.551 7.426 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.537 9.695 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.678 9.601 0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.367 10.398 -0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.960 11.316 1.135 1.00 0.00 H new ATOM 559 N TRP A 42 -5.476 4.958 1.411 1.00 0.00 N ATOM 560 CA TRP A 42 -4.817 3.701 1.744 1.00 0.00 C ATOM 561 C TRP A 42 -5.092 2.644 0.679 1.00 0.00 C ATOM 562 O TRP A 42 -6.086 2.722 -0.043 1.00 0.00 O ATOM 563 CB TRP A 42 -5.286 3.199 3.111 1.00 0.00 C ATOM 564 CG TRP A 42 -6.739 2.832 3.142 1.00 0.00 C ATOM 565 CD1 TRP A 42 -7.798 3.654 2.885 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.291 1.548 3.452 1.00 0.00 C ATOM 567 NE1 TRP A 42 -8.975 2.958 3.015 1.00 0.00 N ATOM 568 CE2 TRP A 42 -8.691 1.664 3.361 1.00 0.00 C ATOM 569 CE3 TRP A 42 -6.737 0.311 3.795 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.544 0.589 3.603 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -7.586 -0.754 4.034 1.00 0.00 C ATOM 572 CH2 TRP A 42 -8.975 -0.610 3.936 1.00 0.00 C ATOM 0 H TRP A 42 -6.064 4.919 0.578 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.743 3.883 1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.693 2.329 3.394 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.097 3.970 3.858 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.722 4.698 2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.909 3.343 2.876 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.667 0.190 3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.616 0.698 3.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.170 -1.714 4.301 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.610 -1.462 4.127 1.00 0.00 H new ATOM 583 N ILE A 43 -4.208 1.657 0.589 1.00 0.00 N ATOM 584 CA ILE A 43 -4.359 0.584 -0.386 1.00 0.00 C ATOM 585 C ILE A 43 -4.202 -0.783 0.271 1.00 0.00 C ATOM 586 O ILE A 43 -3.457 -0.936 1.239 1.00 0.00 O ATOM 587 CB ILE A 43 -3.332 0.713 -1.527 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.564 -0.377 -2.576 1.00 0.00 C ATOM 589 CG2 ILE A 43 -1.915 0.633 -0.977 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.303 0.084 -3.994 1.00 0.00 C ATOM 0 H ILE A 43 -3.380 1.578 1.179 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.364 0.672 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.461 1.685 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.919 -1.227 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.593 -0.730 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.201 0.726 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.756 1.441 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.772 -0.325 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.487 -0.739 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.967 0.914 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.267 0.409 -4.086 1.00 0.00 H new ATOM 602 N TYR A 44 -4.909 -1.774 -0.262 1.00 0.00 N ATOM 603 CA TYR A 44 -4.849 -3.129 0.273 1.00 0.00 C ATOM 604 C TYR A 44 -4.357 -4.112 -0.785 1.00 0.00 C ATOM 605 O TYR A 44 -4.581 -3.917 -1.980 1.00 0.00 O ATOM 606 CB TYR A 44 -6.224 -3.558 0.784 1.00 0.00 C ATOM 607 CG TYR A 44 -6.316 -5.032 1.111 1.00 0.00 C ATOM 608 CD1 TYR A 44 -5.542 -5.590 2.121 1.00 0.00 C ATOM 609 CD2 TYR A 44 -7.178 -5.867 0.410 1.00 0.00 C ATOM 610 CE1 TYR A 44 -5.621 -6.936 2.421 1.00 0.00 C ATOM 611 CE2 TYR A 44 -7.266 -7.213 0.705 1.00 0.00 C ATOM 612 CZ TYR A 44 -6.485 -7.743 1.710 1.00 0.00 C ATOM 613 OH TYR A 44 -6.569 -9.084 2.008 1.00 0.00 O ATOM 0 H TYR A 44 -5.530 -1.664 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.142 -3.134 1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.467 -2.981 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.974 -3.314 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.867 -4.960 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.790 -5.456 -0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.010 -7.354 3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.943 -7.847 0.152 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.980 -9.289 2.764 1.00 0.00 H new ATOM 623 N ILE A 45 -3.686 -5.168 -0.337 1.00 0.00 N ATOM 624 CA ILE A 45 -3.164 -6.181 -1.244 1.00 0.00 C ATOM 625 C ILE A 45 -3.380 -7.583 -0.684 1.00 0.00 C ATOM 626 O ILE A 45 -3.072 -7.853 0.477 1.00 0.00 O ATOM 627 CB ILE A 45 -1.662 -5.975 -1.516 1.00 0.00 C ATOM 628 CG1 ILE A 45 -1.403 -4.551 -2.016 1.00 0.00 C ATOM 629 CG2 ILE A 45 -1.162 -6.996 -2.526 1.00 0.00 C ATOM 630 CD1 ILE A 45 -0.048 -4.376 -2.665 1.00 0.00 C ATOM 0 H ILE A 45 -3.491 -5.344 0.649 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.711 -6.077 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.116 -6.118 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.178 -4.280 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.488 -3.859 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.099 -6.838 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.317 -8.001 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.711 -6.882 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.067 -3.344 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.734 -4.616 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.033 -5.043 -3.524 1.00 0.00 H new ATOM 642 N ASN A 46 -3.907 -8.474 -1.518 1.00 0.00 N ATOM 643 CA ASN A 46 -4.162 -9.849 -1.106 1.00 0.00 C ATOM 644 C ASN A 46 -3.491 -10.836 -2.057 1.00 0.00 C ATOM 645 O ASN A 46 -3.824 -10.899 -3.241 1.00 0.00 O ATOM 646 CB ASN A 46 -5.668 -10.118 -1.055 1.00 0.00 C ATOM 647 CG ASN A 46 -6.436 -9.299 -2.076 1.00 0.00 C ATOM 648 OD1 ASN A 46 -6.542 -8.079 -1.957 1.00 0.00 O ATOM 649 ND2 ASN A 46 -6.975 -9.971 -3.087 1.00 0.00 N ATOM 0 H ASN A 46 -4.166 -8.268 -2.483 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.741 -9.987 -0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.851 -11.178 -1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.041 -9.892 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.503 -9.475 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.861 -10.983 -3.145 1.00 0.00 H new ATOM 656 N LEU A 47 -2.543 -11.603 -1.531 1.00 0.00 N ATOM 657 CA LEU A 47 -1.823 -12.587 -2.332 1.00 0.00 C ATOM 658 C LEU A 47 -2.492 -13.956 -2.242 1.00 0.00 C ATOM 659 O LEU A 47 -2.607 -14.668 -3.237 1.00 0.00 O ATOM 660 CB LEU A 47 -0.369 -12.686 -1.870 1.00 0.00 C ATOM 661 CG LEU A 47 0.688 -12.696 -2.976 1.00 0.00 C ATOM 662 CD1 LEU A 47 1.514 -11.419 -2.936 1.00 0.00 C ATOM 663 CD2 LEU A 47 1.585 -13.918 -2.844 1.00 0.00 C ATOM 0 H LEU A 47 -2.255 -11.563 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.845 -12.259 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.162 -11.847 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.257 -13.596 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 47 0.179 -12.745 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.261 -11.444 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.861 -10.558 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.013 -11.339 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.331 -13.909 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.086 -13.899 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.982 -14.822 -2.923 1.00 0.00 H new ATOM 675 N GLY A 48 -2.931 -14.316 -1.040 1.00 0.00 N ATOM 676 CA GLY A 48 -3.585 -15.597 -0.842 1.00 0.00 C ATOM 677 C GLY A 48 -2.647 -16.643 -0.270 1.00 0.00 C ATOM 678 O GLY A 48 -2.955 -17.835 -0.285 1.00 0.00 O ATOM 0 H GLY A 48 -2.846 -13.744 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.434 -15.468 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.982 -15.950 -1.794 1.00 0.00 H new ATOM 682 N SER A 49 -1.500 -16.197 0.232 1.00 0.00 N ATOM 683 CA SER A 49 -0.513 -17.104 0.805 1.00 0.00 C ATOM 684 C SER A 49 0.391 -16.370 1.791 1.00 0.00 C ATOM 685 O SER A 49 0.454 -15.140 1.798 1.00 0.00 O ATOM 686 CB SER A 49 0.331 -17.739 -0.302 1.00 0.00 C ATOM 687 OG SER A 49 -0.478 -18.487 -1.193 1.00 0.00 O ATOM 0 H SER A 49 -1.231 -15.213 0.253 1.00 0.00 H new ATOM 0 HA SER A 49 -1.046 -17.889 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.860 -16.961 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.087 -18.388 0.140 1.00 0.00 H new ATOM 0 HG SER A 49 0.084 -18.882 -1.892 1.00 0.00 H new ATOM 693 N THR A 50 1.090 -17.134 2.625 1.00 0.00 N ATOM 694 CA THR A 50 1.989 -16.558 3.616 1.00 0.00 C ATOM 695 C THR A 50 3.366 -16.290 3.020 1.00 0.00 C ATOM 696 O THR A 50 4.022 -17.201 2.516 1.00 0.00 O ATOM 697 CB THR A 50 2.143 -17.483 4.839 1.00 0.00 C ATOM 698 OG1 THR A 50 1.579 -18.768 4.555 1.00 0.00 O ATOM 699 CG2 THR A 50 1.463 -16.883 6.060 1.00 0.00 C ATOM 0 H THR A 50 1.050 -18.153 2.633 1.00 0.00 H new ATOM 0 HA THR A 50 1.545 -15.615 3.935 1.00 0.00 H new ATOM 0 HB THR A 50 3.206 -17.593 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.682 -19.351 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.585 -17.554 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.915 -15.918 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.401 -16.747 5.855 1.00 0.00 H new ATOM 707 N GLN A 51 3.798 -15.034 3.082 1.00 0.00 N ATOM 708 CA GLN A 51 5.097 -14.647 2.547 1.00 0.00 C ATOM 709 C GLN A 51 5.902 -13.868 3.582 1.00 0.00 C ATOM 710 O GLN A 51 5.346 -13.092 4.360 1.00 0.00 O ATOM 711 CB GLN A 51 4.922 -13.806 1.282 1.00 0.00 C ATOM 712 CG GLN A 51 5.498 -14.455 0.034 1.00 0.00 C ATOM 713 CD GLN A 51 4.645 -15.599 -0.475 1.00 0.00 C ATOM 714 OE1 GLN A 51 3.643 -15.385 -1.159 1.00 0.00 O ATOM 715 NE2 GLN A 51 5.038 -16.824 -0.146 1.00 0.00 N ATOM 0 H GLN A 51 3.267 -14.268 3.497 1.00 0.00 H new ATOM 0 HA GLN A 51 5.644 -15.556 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.860 -13.617 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.400 -12.838 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.596 -13.703 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.501 -14.823 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.875 -16.956 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.503 -17.633 -0.462 1.00 0.00 H new ATOM 724 N SER A 52 7.214 -14.081 3.587 1.00 0.00 N ATOM 725 CA SER A 52 8.095 -13.401 4.530 1.00 0.00 C ATOM 726 C SER A 52 8.599 -12.083 3.951 1.00 0.00 C ATOM 727 O SER A 52 9.035 -12.025 2.800 1.00 0.00 O ATOM 728 CB SER A 52 9.280 -14.299 4.891 1.00 0.00 C ATOM 729 OG SER A 52 9.759 -14.012 6.194 1.00 0.00 O ATOM 0 H SER A 52 7.690 -14.719 2.949 1.00 0.00 H new ATOM 0 HA SER A 52 7.523 -13.185 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.979 -15.345 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.082 -14.158 4.166 1.00 0.00 H new ATOM 0 HG SER A 52 10.515 -14.600 6.402 1.00 0.00 H new ATOM 735 N ILE A 53 8.535 -11.027 4.755 1.00 0.00 N ATOM 736 CA ILE A 53 8.985 -9.710 4.323 1.00 0.00 C ATOM 737 C ILE A 53 9.773 -9.010 5.424 1.00 0.00 C ATOM 738 O ILE A 53 9.528 -9.227 6.611 1.00 0.00 O ATOM 739 CB ILE A 53 7.801 -8.818 3.909 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.517 -9.283 4.601 1.00 0.00 C ATOM 741 CG2 ILE A 53 7.628 -8.834 2.397 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.425 -8.237 4.613 1.00 0.00 C ATOM 0 H ILE A 53 8.176 -11.058 5.709 1.00 0.00 H new ATOM 0 HA ILE A 53 9.631 -9.866 3.459 1.00 0.00 H new ATOM 0 HB ILE A 53 8.011 -7.795 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.147 -10.177 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.749 -9.566 5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.787 -8.199 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.536 -8.461 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.437 -9.854 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.545 -8.635 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.776 -7.350 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.165 -7.971 3.589 1.00 0.00 H new ATOM 754 N SER A 54 10.720 -8.168 5.023 1.00 0.00 N ATOM 755 CA SER A 54 11.546 -7.436 5.977 1.00 0.00 C ATOM 756 C SER A 54 11.586 -5.951 5.632 1.00 0.00 C ATOM 757 O SER A 54 11.302 -5.099 6.475 1.00 0.00 O ATOM 758 CB SER A 54 12.966 -8.007 5.995 1.00 0.00 C ATOM 759 OG SER A 54 13.321 -8.533 4.729 1.00 0.00 O ATOM 0 H SER A 54 10.935 -7.976 4.045 1.00 0.00 H new ATOM 0 HA SER A 54 11.104 -7.549 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.672 -7.226 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.037 -8.790 6.750 1.00 0.00 H new ATOM 0 HG SER A 54 14.233 -8.890 4.767 1.00 0.00 H new ATOM 765 N ARG A 55 11.942 -5.648 4.388 1.00 0.00 N ATOM 766 CA ARG A 55 12.022 -4.266 3.931 1.00 0.00 C ATOM 767 C ARG A 55 11.045 -4.014 2.786 1.00 0.00 C ATOM 768 O ARG A 55 10.947 -4.812 1.854 1.00 0.00 O ATOM 769 CB ARG A 55 13.447 -3.935 3.483 1.00 0.00 C ATOM 770 CG ARG A 55 14.521 -4.562 4.355 1.00 0.00 C ATOM 771 CD ARG A 55 15.913 -4.123 3.929 1.00 0.00 C ATOM 772 NE ARG A 55 16.754 -5.255 3.552 1.00 0.00 N ATOM 773 CZ ARG A 55 18.002 -5.131 3.115 1.00 0.00 C ATOM 774 NH1 ARG A 55 18.551 -3.930 3.000 1.00 0.00 N ATOM 775 NH2 ARG A 55 18.703 -6.209 2.792 1.00 0.00 N ATOM 0 H ARG A 55 12.180 -6.341 3.678 1.00 0.00 H new ATOM 0 HA ARG A 55 11.752 -3.618 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.583 -4.272 2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.577 -2.853 3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.354 -4.285 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.448 -5.648 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.834 -3.435 3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 55 16.386 -3.576 4.745 1.00 0.00 H new ATOM 0 HE ARG A 55 16.361 -6.193 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 55 18.015 -3.098 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 55 19.510 -3.838 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.284 -7.135 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.661 -6.112 2.456 1.00 0.00 H new ATOM 789 N VAL A 56 10.325 -2.899 2.864 1.00 0.00 N ATOM 790 CA VAL A 56 9.356 -2.542 1.834 1.00 0.00 C ATOM 791 C VAL A 56 9.450 -1.063 1.480 1.00 0.00 C ATOM 792 O VAL A 56 9.525 -0.205 2.361 1.00 0.00 O ATOM 793 CB VAL A 56 7.917 -2.861 2.281 1.00 0.00 C ATOM 794 CG1 VAL A 56 7.693 -2.412 3.717 1.00 0.00 C ATOM 795 CG2 VAL A 56 6.911 -2.208 1.347 1.00 0.00 C ATOM 0 H VAL A 56 10.394 -2.228 3.629 1.00 0.00 H new ATOM 0 HA VAL A 56 9.596 -3.139 0.954 1.00 0.00 H new ATOM 0 HB VAL A 56 7.772 -3.940 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.671 -2.645 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.391 -2.932 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.856 -1.337 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.900 -2.444 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.053 -1.127 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.058 -2.583 0.334 1.00 0.00 H new ATOM 805 N LYS A 57 9.446 -0.767 0.185 1.00 0.00 N ATOM 806 CA LYS A 57 9.528 0.609 -0.287 1.00 0.00 C ATOM 807 C LYS A 57 8.322 0.962 -1.152 1.00 0.00 C ATOM 808 O LYS A 57 7.969 0.224 -2.073 1.00 0.00 O ATOM 809 CB LYS A 57 10.819 0.820 -1.083 1.00 0.00 C ATOM 810 CG LYS A 57 10.848 0.071 -2.403 1.00 0.00 C ATOM 811 CD LYS A 57 12.193 0.213 -3.096 1.00 0.00 C ATOM 812 CE LYS A 57 13.020 -1.058 -2.973 1.00 0.00 C ATOM 813 NZ LYS A 57 14.420 -0.771 -2.555 1.00 0.00 N ATOM 0 H LYS A 57 9.387 -1.464 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 57 9.532 1.265 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.947 1.885 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.667 0.502 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.637 -0.984 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.060 0.450 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.038 0.447 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.741 1.049 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.554 -1.725 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.027 -1.581 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.950 -1.663 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.873 -0.155 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.416 -0.295 -1.630 1.00 0.00 H new ATOM 827 N LEU A 58 7.695 2.093 -0.850 1.00 0.00 N ATOM 828 CA LEU A 58 6.528 2.544 -1.601 1.00 0.00 C ATOM 829 C LEU A 58 6.625 4.034 -1.915 1.00 0.00 C ATOM 830 O LEU A 58 7.264 4.791 -1.185 1.00 0.00 O ATOM 831 CB LEU A 58 5.248 2.259 -0.814 1.00 0.00 C ATOM 832 CG LEU A 58 4.996 3.151 0.402 1.00 0.00 C ATOM 833 CD1 LEU A 58 3.515 3.179 0.746 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.813 2.673 1.594 1.00 0.00 C ATOM 0 H LEU A 58 7.974 2.715 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 58 6.498 1.994 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.400 2.354 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.274 1.222 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 58 5.310 4.165 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.355 3.819 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.952 3.570 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.175 2.169 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.621 3.320 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.531 1.650 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.874 2.706 1.345 1.00 0.00 H new ATOM 846 N ASN A 59 5.985 4.448 -3.003 1.00 0.00 N ATOM 847 CA ASN A 59 5.998 5.848 -3.412 1.00 0.00 C ATOM 848 C ASN A 59 4.625 6.484 -3.214 1.00 0.00 C ATOM 849 O ASN A 59 3.603 5.800 -3.239 1.00 0.00 O ATOM 850 CB ASN A 59 6.423 5.969 -4.876 1.00 0.00 C ATOM 851 CG ASN A 59 5.825 7.188 -5.552 1.00 0.00 C ATOM 852 OD1 ASN A 59 4.641 7.206 -5.891 1.00 0.00 O ATOM 853 ND2 ASN A 59 6.643 8.214 -5.752 1.00 0.00 N ATOM 0 H ASN A 59 5.451 3.834 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 59 6.718 6.377 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.510 6.022 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.119 5.072 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.298 9.061 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.617 8.155 -5.455 1.00 0.00 H new ATOM 860 N TRP A 60 4.611 7.798 -3.018 1.00 0.00 N ATOM 861 CA TRP A 60 3.364 8.527 -2.817 1.00 0.00 C ATOM 862 C TRP A 60 3.111 9.499 -3.964 1.00 0.00 C ATOM 863 O TRP A 60 1.969 9.868 -4.236 1.00 0.00 O ATOM 864 CB TRP A 60 3.402 9.285 -1.489 1.00 0.00 C ATOM 865 CG TRP A 60 2.081 9.307 -0.780 1.00 0.00 C ATOM 866 CD1 TRP A 60 1.290 10.397 -0.554 1.00 0.00 C ATOM 867 CD2 TRP A 60 1.399 8.188 -0.204 1.00 0.00 C ATOM 868 NE1 TRP A 60 0.158 10.023 0.128 1.00 0.00 N ATOM 869 CE2 TRP A 60 0.200 8.673 0.354 1.00 0.00 C ATOM 870 CE3 TRP A 60 1.683 6.823 -0.108 1.00 0.00 C ATOM 871 CZ2 TRP A 60 -0.711 7.841 0.999 1.00 0.00 C ATOM 872 CZ3 TRP A 60 0.778 5.998 0.534 1.00 0.00 C ATOM 873 CH2 TRP A 60 -0.407 6.509 1.079 1.00 0.00 C ATOM 0 H TRP A 60 5.448 8.380 -2.994 1.00 0.00 H new ATOM 0 HA TRP A 60 2.549 7.804 -2.792 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.148 8.828 -0.839 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.725 10.310 -1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.521 11.405 -0.866 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.593 10.649 0.419 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.593 6.420 -0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.625 8.233 1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.988 4.942 0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.095 5.838 1.572 1.00 0.00 H new ATOM 884 N GLU A 61 4.184 9.911 -4.633 1.00 0.00 N ATOM 885 CA GLU A 61 4.076 10.841 -5.751 1.00 0.00 C ATOM 886 C GLU A 61 3.769 12.252 -5.257 1.00 0.00 C ATOM 887 O GLU A 61 3.956 12.564 -4.080 1.00 0.00 O ATOM 888 CB GLU A 61 2.987 10.382 -6.723 1.00 0.00 C ATOM 889 CG GLU A 61 3.378 10.518 -8.185 1.00 0.00 C ATOM 890 CD GLU A 61 3.337 9.195 -8.925 1.00 0.00 C ATOM 891 OE1 GLU A 61 3.687 8.163 -8.315 1.00 0.00 O ATOM 892 OE2 GLU A 61 2.954 9.192 -10.114 1.00 0.00 O ATOM 0 H GLU A 61 5.137 9.616 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 61 5.034 10.856 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.743 9.340 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.082 10.963 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.706 11.224 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.382 10.936 -8.251 1.00 0.00 H new ATOM 899 N ASP A 62 3.297 13.101 -6.163 1.00 0.00 N ATOM 900 CA ASP A 62 2.963 14.479 -5.820 1.00 0.00 C ATOM 901 C ASP A 62 2.104 14.532 -4.562 1.00 0.00 C ATOM 902 O ASP A 62 2.153 15.501 -3.806 1.00 0.00 O ATOM 903 CB ASP A 62 2.231 15.152 -6.982 1.00 0.00 C ATOM 904 CG ASP A 62 3.151 16.019 -7.820 1.00 0.00 C ATOM 905 OD1 ASP A 62 3.918 16.810 -7.233 1.00 0.00 O ATOM 906 OD2 ASP A 62 3.102 15.906 -9.063 1.00 0.00 O ATOM 0 H ASP A 62 3.137 12.859 -7.141 1.00 0.00 H new ATOM 0 HA ASP A 62 3.892 15.016 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.780 14.388 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.417 15.763 -6.591 1.00 0.00 H new ATOM 911 N ALA A 63 1.314 13.484 -4.345 1.00 0.00 N ATOM 912 CA ALA A 63 0.444 13.412 -3.178 1.00 0.00 C ATOM 913 C ALA A 63 1.169 13.887 -1.923 1.00 0.00 C ATOM 914 O ALA A 63 2.258 13.410 -1.605 1.00 0.00 O ATOM 915 CB ALA A 63 -0.068 11.993 -2.989 1.00 0.00 C ATOM 0 H ALA A 63 1.259 12.674 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.406 14.073 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.717 11.954 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.631 11.689 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.776 11.318 -2.846 1.00 0.00 H new ATOM 921 N TYR A 64 0.557 14.829 -1.213 1.00 0.00 N ATOM 922 CA TYR A 64 1.146 15.370 0.007 1.00 0.00 C ATOM 923 C TYR A 64 0.956 14.409 1.176 1.00 0.00 C ATOM 924 O TYR A 64 -0.169 14.124 1.583 1.00 0.00 O ATOM 925 CB TYR A 64 0.523 16.727 0.340 1.00 0.00 C ATOM 926 CG TYR A 64 0.881 17.816 -0.644 1.00 0.00 C ATOM 927 CD1 TYR A 64 0.406 17.785 -1.949 1.00 0.00 C ATOM 928 CD2 TYR A 64 1.695 18.878 -0.269 1.00 0.00 C ATOM 929 CE1 TYR A 64 0.732 18.778 -2.852 1.00 0.00 C ATOM 930 CE2 TYR A 64 2.025 19.876 -1.165 1.00 0.00 C ATOM 931 CZ TYR A 64 1.541 19.822 -2.456 1.00 0.00 C ATOM 932 OH TYR A 64 1.868 20.815 -3.352 1.00 0.00 O ATOM 0 H TYR A 64 -0.346 15.233 -1.461 1.00 0.00 H new ATOM 0 HA TYR A 64 2.215 15.500 -0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.561 16.621 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.844 17.030 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.229 16.970 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.076 18.924 0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.355 18.737 -3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.659 20.694 -0.857 1.00 0.00 H new ATOM 0 HH TYR A 64 2.444 21.475 -2.913 1.00 0.00 H new ATOM 942 N ALA A 65 2.066 13.914 1.712 1.00 0.00 N ATOM 943 CA ALA A 65 2.024 12.987 2.836 1.00 0.00 C ATOM 944 C ALA A 65 3.279 13.109 3.695 1.00 0.00 C ATOM 945 O ALA A 65 4.392 13.216 3.177 1.00 0.00 O ATOM 946 CB ALA A 65 1.860 11.559 2.337 1.00 0.00 C ATOM 0 H ALA A 65 3.006 14.139 1.386 1.00 0.00 H new ATOM 0 HA ALA A 65 1.165 13.244 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.830 10.878 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.931 11.475 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.701 11.300 1.694 1.00 0.00 H new ATOM 952 N THR A 66 3.094 13.092 5.012 1.00 0.00 N ATOM 953 CA THR A 66 4.210 13.202 5.942 1.00 0.00 C ATOM 954 C THR A 66 4.831 11.838 6.220 1.00 0.00 C ATOM 955 O THR A 66 6.007 11.740 6.569 1.00 0.00 O ATOM 956 CB THR A 66 3.769 13.835 7.275 1.00 0.00 C ATOM 957 OG1 THR A 66 2.810 12.993 7.924 1.00 0.00 O ATOM 958 CG2 THR A 66 3.170 15.214 7.048 1.00 0.00 C ATOM 0 H THR A 66 2.181 13.003 5.458 1.00 0.00 H new ATOM 0 HA THR A 66 4.952 13.846 5.471 1.00 0.00 H new ATOM 0 HB THR A 66 4.649 13.939 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.955 13.042 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.866 15.641 8.004 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.913 15.861 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.301 15.130 6.395 1.00 0.00 H new ATOM 966 N ALA A 67 4.032 10.787 6.064 1.00 0.00 N ATOM 967 CA ALA A 67 4.505 9.427 6.296 1.00 0.00 C ATOM 968 C ALA A 67 3.405 8.409 6.016 1.00 0.00 C ATOM 969 O ALA A 67 2.226 8.759 5.941 1.00 0.00 O ATOM 970 CB ALA A 67 5.012 9.282 7.723 1.00 0.00 C ATOM 0 H ALA A 67 3.055 10.851 5.778 1.00 0.00 H new ATOM 0 HA ALA A 67 5.328 9.231 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.362 8.262 7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.834 9.978 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.204 9.502 8.420 1.00 0.00 H new ATOM 976 N TYR A 68 3.796 7.149 5.864 1.00 0.00 N ATOM 977 CA TYR A 68 2.844 6.080 5.590 1.00 0.00 C ATOM 978 C TYR A 68 2.987 4.950 6.605 1.00 0.00 C ATOM 979 O TYR A 68 4.047 4.767 7.202 1.00 0.00 O ATOM 980 CB TYR A 68 3.047 5.538 4.174 1.00 0.00 C ATOM 981 CG TYR A 68 3.750 6.507 3.250 1.00 0.00 C ATOM 982 CD1 TYR A 68 3.233 7.777 3.021 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.928 6.153 2.607 1.00 0.00 C ATOM 984 CE1 TYR A 68 3.872 8.665 2.176 1.00 0.00 C ATOM 985 CE2 TYR A 68 5.574 7.036 1.761 1.00 0.00 C ATOM 986 CZ TYR A 68 5.042 8.289 1.549 1.00 0.00 C ATOM 987 OH TYR A 68 5.680 9.171 0.708 1.00 0.00 O ATOM 0 H TYR A 68 4.767 6.843 5.926 1.00 0.00 H new ATOM 0 HA TYR A 68 1.839 6.493 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.625 4.615 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.076 5.283 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.318 8.075 3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.347 5.171 2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.458 9.648 2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.490 6.745 1.269 1.00 0.00 H new ATOM 0 HH TYR A 68 6.620 8.912 0.614 1.00 0.00 H new ATOM 997 N SER A 69 1.909 4.194 6.794 1.00 0.00 N ATOM 998 CA SER A 69 1.912 3.083 7.738 1.00 0.00 C ATOM 999 C SER A 69 1.728 1.753 7.012 1.00 0.00 C ATOM 1000 O SER A 69 0.866 1.621 6.143 1.00 0.00 O ATOM 1001 CB SER A 69 0.804 3.266 8.777 1.00 0.00 C ATOM 1002 OG SER A 69 1.210 4.154 9.804 1.00 0.00 O ATOM 0 H SER A 69 1.024 4.331 6.306 1.00 0.00 H new ATOM 0 HA SER A 69 2.877 3.071 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.093 3.651 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.543 2.300 9.209 1.00 0.00 H new ATOM 0 HG SER A 69 0.484 4.255 10.455 1.00 0.00 H new ATOM 1008 N ILE A 70 2.545 0.770 7.377 1.00 0.00 N ATOM 1009 CA ILE A 70 2.474 -0.549 6.761 1.00 0.00 C ATOM 1010 C ILE A 70 2.055 -1.607 7.778 1.00 0.00 C ATOM 1011 O ILE A 70 2.706 -1.783 8.807 1.00 0.00 O ATOM 1012 CB ILE A 70 3.823 -0.955 6.141 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.851 -0.604 4.653 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.074 -2.442 6.345 1.00 0.00 C ATOM 1015 CD1 ILE A 70 5.221 -0.204 4.151 1.00 0.00 C ATOM 0 H ILE A 70 3.263 0.862 8.096 1.00 0.00 H new ATOM 0 HA ILE A 70 1.725 -0.489 5.971 1.00 0.00 H new ATOM 0 HB ILE A 70 4.617 -0.401 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.499 -1.461 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.153 0.212 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.032 -2.714 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.092 -2.665 7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.278 -3.014 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.165 0.031 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.568 0.673 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.919 -1.027 4.304 1.00 0.00 H new ATOM 1027 N GLN A 71 0.967 -2.309 7.479 1.00 0.00 N ATOM 1028 CA GLN A 71 0.463 -3.350 8.367 1.00 0.00 C ATOM 1029 C GLN A 71 -0.032 -4.552 7.570 1.00 0.00 C ATOM 1030 O GLN A 71 -0.747 -4.402 6.579 1.00 0.00 O ATOM 1031 CB GLN A 71 -0.668 -2.802 9.240 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.683 -1.973 8.471 1.00 0.00 C ATOM 1033 CD GLN A 71 -1.647 -0.506 8.850 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -2.362 -0.069 9.753 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -0.813 0.264 8.161 1.00 0.00 N ATOM 0 H GLN A 71 0.418 -2.176 6.630 1.00 0.00 H new ATOM 0 HA GLN A 71 1.283 -3.674 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.181 -3.635 9.720 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.239 -2.191 10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.493 -2.073 7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.682 -2.367 8.655 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.239 -0.140 7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.746 1.260 8.372 1.00 0.00 H new ATOM 1044 N VAL A 72 0.356 -5.746 8.008 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.049 -6.975 7.336 1.00 0.00 C ATOM 1046 C VAL A 72 -1.046 -7.761 8.179 1.00 0.00 C ATOM 1047 O VAL A 72 -1.198 -7.509 9.375 1.00 0.00 O ATOM 1048 CB VAL A 72 1.165 -7.872 7.027 1.00 0.00 C ATOM 1049 CG1 VAL A 72 1.969 -7.304 5.868 1.00 0.00 C ATOM 1050 CG2 VAL A 72 2.036 -8.030 8.264 1.00 0.00 C ATOM 0 H VAL A 72 0.950 -5.888 8.825 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.523 -6.681 6.399 1.00 0.00 H new ATOM 0 HB VAL A 72 0.802 -8.858 6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.822 -7.951 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.338 -7.246 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.324 -6.306 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.889 -8.666 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.391 -7.051 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.453 -8.486 9.064 1.00 0.00 H new ATOM 1060 N SER A 73 -1.726 -8.714 7.548 1.00 0.00 N ATOM 1061 CA SER A 73 -2.712 -9.535 8.241 1.00 0.00 C ATOM 1062 C SER A 73 -2.077 -10.819 8.766 1.00 0.00 C ATOM 1063 O SER A 73 -1.651 -11.675 7.992 1.00 0.00 O ATOM 1064 CB SER A 73 -3.873 -9.873 7.303 1.00 0.00 C ATOM 1065 OG SER A 73 -4.290 -8.730 6.576 1.00 0.00 O ATOM 0 H SER A 73 -1.612 -8.936 6.559 1.00 0.00 H new ATOM 0 HA SER A 73 -3.092 -8.966 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.569 -10.657 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.710 -10.265 7.881 1.00 0.00 H new ATOM 0 HG SER A 73 -4.181 -7.931 7.132 1.00 0.00 H new ATOM 1071 N ASN A 74 -2.019 -10.946 10.087 1.00 0.00 N ATOM 1072 CA ASN A 74 -1.436 -12.124 10.717 1.00 0.00 C ATOM 1073 C ASN A 74 -1.550 -12.042 12.237 1.00 0.00 C ATOM 1074 O ASN A 74 -1.638 -10.953 12.805 1.00 0.00 O ATOM 1075 CB ASN A 74 0.032 -12.272 10.312 1.00 0.00 C ATOM 1076 CG ASN A 74 0.964 -11.495 11.221 1.00 0.00 C ATOM 1077 OD1 ASN A 74 1.841 -12.069 11.867 1.00 0.00 O ATOM 1078 ND2 ASN A 74 0.779 -10.181 11.275 1.00 0.00 N ATOM 0 H ASN A 74 -2.369 -10.247 10.742 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.990 -12.998 10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.307 -13.327 10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.159 -11.928 9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.376 -9.606 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.040 -9.747 10.722 1.00 0.00 H new ATOM 1085 N ASP A 75 -1.544 -13.198 12.889 1.00 0.00 N ATOM 1086 CA ASP A 75 -1.645 -13.258 14.343 1.00 0.00 C ATOM 1087 C ASP A 75 -1.505 -14.693 14.839 1.00 0.00 C ATOM 1088 O ASP A 75 -0.793 -14.958 15.808 1.00 0.00 O ATOM 1089 CB ASP A 75 -2.979 -12.672 14.807 1.00 0.00 C ATOM 1090 CG ASP A 75 -2.922 -12.160 16.233 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -2.095 -11.266 16.508 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -3.703 -12.653 17.073 1.00 0.00 O ATOM 0 H ASP A 75 -1.470 -14.108 12.434 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.832 -12.667 14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.265 -11.857 14.143 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.754 -13.434 14.728 1.00 0.00 H new ATOM 1097 N SER A 76 -2.189 -15.614 14.170 1.00 0.00 N ATOM 1098 CA SER A 76 -2.145 -17.023 14.546 1.00 0.00 C ATOM 1099 C SER A 76 -1.403 -17.843 13.495 1.00 0.00 C ATOM 1100 O SER A 76 -1.279 -19.062 13.615 1.00 0.00 O ATOM 1101 CB SER A 76 -3.563 -17.569 14.728 1.00 0.00 C ATOM 1102 OG SER A 76 -3.539 -18.938 15.095 1.00 0.00 O ATOM 0 H SER A 76 -2.781 -15.411 13.364 1.00 0.00 H new ATOM 0 HA SER A 76 -1.608 -17.105 15.491 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.082 -16.993 15.494 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.125 -17.447 13.802 1.00 0.00 H new ATOM 0 HG SER A 76 -2.758 -19.371 14.691 1.00 0.00 H new ATOM 1108 N GLY A 77 -0.909 -17.164 12.464 1.00 0.00 N ATOM 1109 CA GLY A 77 -0.185 -17.845 11.406 1.00 0.00 C ATOM 1110 C GLY A 77 -1.092 -18.692 10.535 1.00 0.00 C ATOM 1111 O GLY A 77 -1.709 -19.644 11.012 1.00 0.00 O ATOM 0 H GLY A 77 -0.997 -16.155 12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.324 -17.108 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.585 -18.478 11.846 1.00 0.00 H new ATOM 1115 N SER A 78 -1.174 -18.345 9.255 1.00 0.00 N ATOM 1116 CA SER A 78 -2.016 -19.077 8.317 1.00 0.00 C ATOM 1117 C SER A 78 -3.489 -18.739 8.529 1.00 0.00 C ATOM 1118 O SER A 78 -4.358 -19.205 7.793 1.00 0.00 O ATOM 1119 CB SER A 78 -1.800 -20.584 8.473 1.00 0.00 C ATOM 1120 OG SER A 78 -2.119 -21.272 7.276 1.00 0.00 O ATOM 0 H SER A 78 -0.667 -17.561 8.844 1.00 0.00 H new ATOM 0 HA SER A 78 -1.735 -18.779 7.307 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.762 -20.780 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.418 -20.961 9.288 1.00 0.00 H new ATOM 0 HG SER A 78 -2.953 -20.915 6.906 1.00 0.00 H new ATOM 1126 N THR A 79 -3.761 -17.923 9.544 1.00 0.00 N ATOM 1127 CA THR A 79 -5.126 -17.522 9.856 1.00 0.00 C ATOM 1128 C THR A 79 -5.169 -16.107 10.420 1.00 0.00 C ATOM 1129 O THR A 79 -5.328 -15.897 11.623 1.00 0.00 O ATOM 1130 CB THR A 79 -5.778 -18.485 10.866 1.00 0.00 C ATOM 1131 OG1 THR A 79 -5.476 -19.840 10.516 1.00 0.00 O ATOM 1132 CG2 THR A 79 -7.286 -18.289 10.907 1.00 0.00 C ATOM 0 H THR A 79 -3.053 -17.528 10.163 1.00 0.00 H new ATOM 0 HA THR A 79 -5.685 -17.554 8.921 1.00 0.00 H new ATOM 0 HB THR A 79 -5.374 -18.267 11.855 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.893 -20.446 11.164 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.723 -18.980 11.627 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.512 -17.265 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.705 -18.481 9.919 1.00 0.00 H new ATOM 1140 N PRO A 80 -5.023 -15.111 9.533 1.00 0.00 N ATOM 1141 CA PRO A 80 -5.041 -13.697 9.921 1.00 0.00 C ATOM 1142 C PRO A 80 -6.427 -13.235 10.360 1.00 0.00 C ATOM 1143 O PRO A 80 -7.438 -13.832 9.991 1.00 0.00 O ATOM 1144 CB PRO A 80 -4.618 -12.972 8.641 1.00 0.00 C ATOM 1145 CG PRO A 80 -5.001 -13.898 7.538 1.00 0.00 C ATOM 1146 CD PRO A 80 -4.829 -15.288 8.085 1.00 0.00 C ATOM 0 HA PRO A 80 -4.391 -13.500 10.774 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.123 -12.011 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.547 -12.771 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.031 -13.727 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.371 -13.743 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.559 -15.979 7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.842 -15.690 7.858 1.00 0.00 H new ATOM 1154 N THR A 81 -6.467 -12.167 11.151 1.00 0.00 N ATOM 1155 CA THR A 81 -7.728 -11.625 11.641 1.00 0.00 C ATOM 1156 C THR A 81 -7.610 -10.133 11.931 1.00 0.00 C ATOM 1157 O THR A 81 -8.523 -9.361 11.643 1.00 0.00 O ATOM 1158 CB THR A 81 -8.192 -12.350 12.919 1.00 0.00 C ATOM 1159 OG1 THR A 81 -7.122 -12.398 13.870 1.00 0.00 O ATOM 1160 CG2 THR A 81 -8.659 -13.761 12.601 1.00 0.00 C ATOM 0 H THR A 81 -5.640 -11.660 11.466 1.00 0.00 H new ATOM 0 HA THR A 81 -8.466 -11.782 10.855 1.00 0.00 H new ATOM 0 HB THR A 81 -9.029 -11.795 13.342 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.425 -12.859 14.680 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.982 -14.253 13.519 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.492 -13.719 11.899 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.838 -14.324 12.157 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.478 -9.734 12.502 1.00 0.00 N ATOM 1169 CA ASN A 82 -6.240 -8.333 12.830 1.00 0.00 C ATOM 1170 C ASN A 82 -5.128 -7.751 11.963 1.00 0.00 C ATOM 1171 O ASN A 82 -4.689 -8.376 10.998 1.00 0.00 O ATOM 1172 CB ASN A 82 -5.876 -8.189 14.309 1.00 0.00 C ATOM 1173 CG ASN A 82 -6.460 -6.934 14.930 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -7.678 -6.753 14.961 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -5.591 -6.061 15.427 1.00 0.00 N ATOM 0 H ASN A 82 -5.711 -10.361 12.747 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.158 -7.779 12.632 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.234 -9.062 14.855 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.791 -8.171 14.413 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.924 -5.198 15.857 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.590 -6.254 15.379 1.00 0.00 H new ATOM 1182 N TRP A 83 -4.678 -6.552 12.314 1.00 0.00 N ATOM 1183 CA TRP A 83 -3.616 -5.886 11.567 1.00 0.00 C ATOM 1184 C TRP A 83 -2.617 -5.227 12.512 1.00 0.00 C ATOM 1185 O TRP A 83 -2.999 -4.630 13.519 1.00 0.00 O ATOM 1186 CB TRP A 83 -4.208 -4.840 10.621 1.00 0.00 C ATOM 1187 CG TRP A 83 -4.208 -5.270 9.185 1.00 0.00 C ATOM 1188 CD1 TRP A 83 -3.116 -5.479 8.393 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -5.355 -5.542 8.372 1.00 0.00 C ATOM 1190 NE1 TRP A 83 -3.515 -5.864 7.135 1.00 0.00 N ATOM 1191 CE2 TRP A 83 -4.883 -5.911 7.097 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -6.733 -5.511 8.597 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 -5.743 -6.244 6.054 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -7.586 -5.842 7.561 1.00 0.00 C ATOM 1195 CH2 TRP A 83 -7.089 -6.205 6.302 1.00 0.00 C ATOM 0 H TRP A 83 -5.031 -6.021 13.110 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.091 -6.640 10.981 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -5.231 -4.621 10.927 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.642 -3.913 10.715 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -2.090 -5.360 8.708 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -2.893 -6.080 6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.125 -5.233 9.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -5.362 -6.523 5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -8.653 -5.821 7.725 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.781 -6.459 5.512 1.00 0.00 H new ATOM 1206 N THR A 84 -1.334 -5.340 12.181 1.00 0.00 N ATOM 1207 CA THR A 84 -0.280 -4.756 13.001 1.00 0.00 C ATOM 1208 C THR A 84 0.667 -3.910 12.158 1.00 0.00 C ATOM 1209 O THR A 84 1.228 -4.384 11.169 1.00 0.00 O ATOM 1210 CB THR A 84 0.532 -5.842 13.730 1.00 0.00 C ATOM 1211 OG1 THR A 84 -0.137 -7.105 13.630 1.00 0.00 O ATOM 1212 CG2 THR A 84 0.728 -5.482 15.195 1.00 0.00 C ATOM 0 H THR A 84 -1.000 -5.830 11.351 1.00 0.00 H new ATOM 0 HA THR A 84 -0.770 -4.122 13.740 1.00 0.00 H new ATOM 0 HB THR A 84 1.511 -5.910 13.255 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.387 -7.790 14.095 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.304 -6.265 15.688 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.264 -4.536 15.269 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.244 -5.387 15.680 1.00 0.00 H new ATOM 1220 N THR A 85 0.843 -2.653 12.555 1.00 0.00 N ATOM 1221 CA THR A 85 1.722 -1.741 11.836 1.00 0.00 C ATOM 1222 C THR A 85 3.189 -2.061 12.107 1.00 0.00 C ATOM 1223 O THR A 85 3.527 -2.640 13.139 1.00 0.00 O ATOM 1224 CB THR A 85 1.449 -0.274 12.224 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.361 -0.153 13.647 1.00 0.00 O ATOM 1226 CG2 THR A 85 0.160 0.222 11.586 1.00 0.00 C ATOM 0 H THR A 85 0.388 -2.244 13.371 1.00 0.00 H new ATOM 0 HA THR A 85 1.514 -1.874 10.774 1.00 0.00 H new ATOM 0 HB THR A 85 2.275 0.337 11.859 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.189 0.782 13.886 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.013 1.259 11.873 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.242 0.155 10.501 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.674 -0.392 11.926 1.00 0.00 H new ATOM 1234 N VAL A 86 4.054 -1.680 11.173 1.00 0.00 N ATOM 1235 CA VAL A 86 5.484 -1.925 11.312 1.00 0.00 C ATOM 1236 C VAL A 86 6.266 -0.617 11.348 1.00 0.00 C ATOM 1237 O VAL A 86 7.442 -0.593 11.711 1.00 0.00 O ATOM 1238 CB VAL A 86 6.019 -2.797 10.160 1.00 0.00 C ATOM 1239 CG1 VAL A 86 7.376 -3.383 10.520 1.00 0.00 C ATOM 1240 CG2 VAL A 86 5.027 -3.899 9.822 1.00 0.00 C ATOM 0 H VAL A 86 3.790 -1.201 10.312 1.00 0.00 H new ATOM 0 HA VAL A 86 5.623 -2.454 12.255 1.00 0.00 H new ATOM 0 HB VAL A 86 6.143 -2.168 9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.738 -3.996 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.083 -2.575 10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.281 -3.999 11.414 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.421 -4.505 9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.869 -4.528 10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.079 -3.455 9.519 1.00 0.00 H new ATOM 1250 N TYR A 87 5.604 0.472 10.971 1.00 0.00 N ATOM 1251 CA TYR A 87 6.237 1.786 10.958 1.00 0.00 C ATOM 1252 C TYR A 87 5.194 2.891 10.824 1.00 0.00 C ATOM 1253 O TYR A 87 4.039 2.633 10.485 1.00 0.00 O ATOM 1254 CB TYR A 87 7.245 1.878 9.812 1.00 0.00 C ATOM 1255 CG TYR A 87 8.261 2.984 9.988 1.00 0.00 C ATOM 1256 CD1 TYR A 87 9.360 2.820 10.822 1.00 0.00 C ATOM 1257 CD2 TYR A 87 8.123 4.194 9.317 1.00 0.00 C ATOM 1258 CE1 TYR A 87 10.290 3.828 10.985 1.00 0.00 C ATOM 1259 CE2 TYR A 87 9.048 5.207 9.474 1.00 0.00 C ATOM 1260 CZ TYR A 87 10.130 5.019 10.309 1.00 0.00 C ATOM 1261 OH TYR A 87 11.055 6.026 10.469 1.00 0.00 O ATOM 0 H TYR A 87 4.629 0.471 10.670 1.00 0.00 H new ATOM 0 HA TYR A 87 6.761 1.919 11.905 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.768 0.926 9.722 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.707 2.036 8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 87 9.489 1.888 11.352 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.278 4.344 8.662 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.138 3.684 11.638 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.925 6.141 8.946 1.00 0.00 H new ATOM 0 HH TYR A 87 10.796 6.798 9.923 1.00 0.00 H new ATOM 1271 N SER A 88 5.611 4.124 11.091 1.00 0.00 N ATOM 1272 CA SER A 88 4.713 5.270 11.003 1.00 0.00 C ATOM 1273 C SER A 88 5.433 6.555 11.405 1.00 0.00 C ATOM 1274 O SER A 88 6.296 6.550 12.283 1.00 0.00 O ATOM 1275 CB SER A 88 3.490 5.057 11.896 1.00 0.00 C ATOM 1276 OG SER A 88 3.867 4.557 13.167 1.00 0.00 O ATOM 0 H SER A 88 6.564 4.355 11.370 1.00 0.00 H new ATOM 0 HA SER A 88 4.385 5.365 9.968 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.955 5.999 12.016 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.803 4.360 11.417 1.00 0.00 H new ATOM 0 HG SER A 88 3.067 4.431 13.719 1.00 0.00 H new ATOM 1282 N THR A 89 5.070 7.657 10.756 1.00 0.00 N ATOM 1283 CA THR A 89 5.679 8.949 11.042 1.00 0.00 C ATOM 1284 C THR A 89 4.717 10.091 10.737 1.00 0.00 C ATOM 1285 O THR A 89 3.633 9.875 10.194 1.00 0.00 O ATOM 1286 CB THR A 89 6.973 9.152 10.231 1.00 0.00 C ATOM 1287 OG1 THR A 89 7.270 7.972 9.478 1.00 0.00 O ATOM 1288 CG2 THR A 89 8.141 9.481 11.150 1.00 0.00 C ATOM 0 H THR A 89 4.356 7.680 10.028 1.00 0.00 H new ATOM 0 HA THR A 89 5.920 8.956 12.105 1.00 0.00 H new ATOM 0 HB THR A 89 6.821 9.988 9.549 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.922 7.428 9.966 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.044 9.620 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.924 10.397 11.700 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.292 8.662 11.853 1.00 0.00 H new ATOM 1296 N THR A 90 5.119 11.308 11.089 1.00 0.00 N ATOM 1297 CA THR A 90 4.292 12.485 10.853 1.00 0.00 C ATOM 1298 C THR A 90 5.104 13.766 11.001 1.00 0.00 C ATOM 1299 O THR A 90 4.981 14.480 11.997 1.00 0.00 O ATOM 1300 CB THR A 90 3.094 12.534 11.821 1.00 0.00 C ATOM 1301 OG1 THR A 90 3.411 11.827 13.026 1.00 0.00 O ATOM 1302 CG2 THR A 90 1.856 11.926 11.182 1.00 0.00 C ATOM 0 H THR A 90 6.013 11.504 11.539 1.00 0.00 H new ATOM 0 HA THR A 90 3.920 12.410 9.831 1.00 0.00 H new ATOM 0 HB THR A 90 2.886 13.578 12.055 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.646 11.863 13.638 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.024 11.972 11.885 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.601 12.483 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.054 10.886 10.922 1.00 0.00 H new ATOM 1310 N THR A 91 5.933 14.055 10.003 1.00 0.00 N ATOM 1311 CA THR A 91 6.765 15.251 10.022 1.00 0.00 C ATOM 1312 C THR A 91 6.693 15.993 8.694 1.00 0.00 C ATOM 1313 O THR A 91 6.621 17.221 8.660 1.00 0.00 O ATOM 1314 CB THR A 91 8.236 14.907 10.326 1.00 0.00 C ATOM 1315 OG1 THR A 91 8.829 14.253 9.199 1.00 0.00 O ATOM 1316 CG2 THR A 91 8.340 14.012 11.552 1.00 0.00 C ATOM 0 H THR A 91 6.046 13.476 9.171 1.00 0.00 H new ATOM 0 HA THR A 91 6.378 15.892 10.814 1.00 0.00 H new ATOM 0 HB THR A 91 8.769 15.836 10.528 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.764 14.039 9.400 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.388 13.782 11.747 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.914 14.525 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.793 13.086 11.374 1.00 0.00 H new ATOM 1324 N GLY A 92 6.712 15.240 7.598 1.00 0.00 N ATOM 1325 CA GLY A 92 6.646 15.844 6.280 1.00 0.00 C ATOM 1326 C GLY A 92 7.689 15.283 5.333 1.00 0.00 C ATOM 1327 O GLY A 92 8.829 15.040 5.727 1.00 0.00 O ATOM 0 H GLY A 92 6.772 14.222 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.653 15.683 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.783 16.922 6.370 1.00 0.00 H new ATOM 1331 N ASP A 93 7.296 15.074 4.081 1.00 0.00 N ATOM 1332 CA ASP A 93 8.204 14.537 3.074 1.00 0.00 C ATOM 1333 C ASP A 93 7.508 14.416 1.723 1.00 0.00 C ATOM 1334 O ASP A 93 7.762 15.200 0.809 1.00 0.00 O ATOM 1335 CB ASP A 93 8.735 13.171 3.512 1.00 0.00 C ATOM 1336 CG ASP A 93 10.174 13.232 3.984 1.00 0.00 C ATOM 1337 OD1 ASP A 93 11.031 13.712 3.213 1.00 0.00 O ATOM 1338 OD2 ASP A 93 10.443 12.802 5.125 1.00 0.00 O ATOM 0 H ASP A 93 6.355 15.268 3.739 1.00 0.00 H new ATOM 0 HA ASP A 93 9.041 15.228 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.109 12.782 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.658 12.471 2.680 1.00 0.00 H new ATOM 1343 N GLY A 94 6.627 13.428 1.602 1.00 0.00 N ATOM 1344 CA GLY A 94 5.908 13.221 0.359 1.00 0.00 C ATOM 1345 C GLY A 94 6.701 12.402 -0.640 1.00 0.00 C ATOM 1346 O GLY A 94 6.208 12.085 -1.723 1.00 0.00 O ATOM 0 H GLY A 94 6.398 12.766 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.964 12.718 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.663 14.188 -0.081 1.00 0.00 H new ATOM 1350 N ALA A 95 7.932 12.060 -0.278 1.00 0.00 N ATOM 1351 CA ALA A 95 8.795 11.273 -1.151 1.00 0.00 C ATOM 1352 C ALA A 95 8.717 9.790 -0.807 1.00 0.00 C ATOM 1353 O ALA A 95 8.210 9.414 0.251 1.00 0.00 O ATOM 1354 CB ALA A 95 10.232 11.763 -1.054 1.00 0.00 C ATOM 0 H ALA A 95 8.355 12.315 0.614 1.00 0.00 H new ATOM 0 HA ALA A 95 8.447 11.401 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.865 11.166 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.281 12.809 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.581 11.665 -0.026 1.00 0.00 H new ATOM 1360 N ILE A 96 9.219 8.951 -1.707 1.00 0.00 N ATOM 1361 CA ILE A 96 9.205 7.509 -1.498 1.00 0.00 C ATOM 1362 C ILE A 96 9.752 7.147 -0.121 1.00 0.00 C ATOM 1363 O ILE A 96 10.818 7.617 0.277 1.00 0.00 O ATOM 1364 CB ILE A 96 10.029 6.776 -2.574 1.00 0.00 C ATOM 1365 CG1 ILE A 96 9.598 7.226 -3.971 1.00 0.00 C ATOM 1366 CG2 ILE A 96 9.875 5.270 -2.424 1.00 0.00 C ATOM 1367 CD1 ILE A 96 10.559 8.200 -4.616 1.00 0.00 C ATOM 0 H ILE A 96 9.640 9.245 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 96 8.165 7.190 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 96 11.081 7.028 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.498 6.350 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.613 7.689 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.463 4.766 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.226 4.965 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.825 4.999 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.190 8.475 -5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.641 9.094 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.540 7.734 -4.712 1.00 0.00 H new ATOM 1379 N ASP A 97 9.015 6.310 0.600 1.00 0.00 N ATOM 1380 CA ASP A 97 9.428 5.883 1.933 1.00 0.00 C ATOM 1381 C ASP A 97 9.664 4.376 1.972 1.00 0.00 C ATOM 1382 O ASP A 97 8.789 3.591 1.606 1.00 0.00 O ATOM 1383 CB ASP A 97 8.370 6.272 2.967 1.00 0.00 C ATOM 1384 CG ASP A 97 8.882 6.159 4.389 1.00 0.00 C ATOM 1385 OD1 ASP A 97 10.052 6.523 4.629 1.00 0.00 O ATOM 1386 OD2 ASP A 97 8.112 5.709 5.262 1.00 0.00 O ATOM 0 H ASP A 97 8.129 5.914 0.285 1.00 0.00 H new ATOM 0 HA ASP A 97 10.364 6.386 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.044 7.295 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.496 5.632 2.847 1.00 0.00 H new ATOM 1391 N ASP A 98 10.852 3.979 2.415 1.00 0.00 N ATOM 1392 CA ASP A 98 11.204 2.567 2.500 1.00 0.00 C ATOM 1393 C ASP A 98 11.454 2.157 3.948 1.00 0.00 C ATOM 1394 O ASP A 98 12.375 2.657 4.594 1.00 0.00 O ATOM 1395 CB ASP A 98 12.443 2.276 1.653 1.00 0.00 C ATOM 1396 CG ASP A 98 13.079 0.943 1.997 1.00 0.00 C ATOM 1397 OD1 ASP A 98 12.381 -0.088 1.907 1.00 0.00 O ATOM 1398 OD2 ASP A 98 14.276 0.932 2.356 1.00 0.00 O ATOM 0 H ASP A 98 11.588 4.616 2.721 1.00 0.00 H new ATOM 0 HA ASP A 98 10.367 1.985 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.168 2.283 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.174 3.072 1.797 1.00 0.00 H new ATOM 1403 N ILE A 99 10.628 1.245 4.451 1.00 0.00 N ATOM 1404 CA ILE A 99 10.761 0.768 5.821 1.00 0.00 C ATOM 1405 C ILE A 99 11.440 -0.597 5.865 1.00 0.00 C ATOM 1406 O ILE A 99 10.930 -1.574 5.318 1.00 0.00 O ATOM 1407 CB ILE A 99 9.391 0.671 6.518 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.629 1.990 6.380 1.00 0.00 C ATOM 1409 CG2 ILE A 99 9.568 0.307 7.986 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.386 1.883 5.524 1.00 0.00 C ATOM 0 H ILE A 99 9.860 0.822 3.930 1.00 0.00 H new ATOM 0 HA ILE A 99 11.378 1.494 6.350 1.00 0.00 H new ATOM 0 HB ILE A 99 8.810 -0.115 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.348 2.343 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.293 2.740 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.591 0.242 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.075 -0.655 8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.165 1.073 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.896 2.855 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.662 1.560 4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.703 1.157 5.964 1.00 0.00 H new ATOM 1422 N THR A 100 12.594 -0.656 6.524 1.00 0.00 N ATOM 1423 CA THR A 100 13.344 -1.901 6.641 1.00 0.00 C ATOM 1424 C THR A 100 13.276 -2.452 8.061 1.00 0.00 C ATOM 1425 O THR A 100 13.652 -1.775 9.018 1.00 0.00 O ATOM 1426 CB THR A 100 14.820 -1.707 6.247 1.00 0.00 C ATOM 1427 OG1 THR A 100 15.502 -0.958 7.257 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.933 -0.988 4.911 1.00 0.00 C ATOM 0 H THR A 100 13.029 0.143 6.984 1.00 0.00 H new ATOM 0 HA THR A 100 12.884 -2.613 5.956 1.00 0.00 H new ATOM 0 HB THR A 100 15.280 -2.690 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.931 -0.882 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.985 -0.862 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.438 -1.576 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.458 -0.010 4.983 1.00 0.00 H new ATOM 1436 N PHE A 101 12.795 -3.683 8.190 1.00 0.00 N ATOM 1437 CA PHE A 101 12.679 -4.325 9.495 1.00 0.00 C ATOM 1438 C PHE A 101 12.991 -5.816 9.397 1.00 0.00 C ATOM 1439 O PHE A 101 13.383 -6.311 8.341 1.00 0.00 O ATOM 1440 CB PHE A 101 11.273 -4.124 10.062 1.00 0.00 C ATOM 1441 CG PHE A 101 10.188 -4.231 9.028 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.810 -3.125 8.284 1.00 0.00 C ATOM 1443 CD2 PHE A 101 9.546 -5.438 8.801 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.812 -3.221 7.334 1.00 0.00 C ATOM 1445 CE2 PHE A 101 8.548 -5.541 7.851 1.00 0.00 C ATOM 1446 CZ PHE A 101 8.180 -4.430 7.116 1.00 0.00 C ATOM 0 H PHE A 101 12.479 -4.257 7.408 1.00 0.00 H new ATOM 0 HA PHE A 101 13.404 -3.863 10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.095 -4.865 10.842 1.00 0.00 H new ATOM 0 HB3 PHE A 101 11.217 -3.144 10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.301 -2.177 8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.829 -6.309 9.374 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.526 -2.351 6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.056 -6.488 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.400 -4.507 6.373 1.00 0.00 H new ATOM 1456 N ALA A 102 12.813 -6.526 10.507 1.00 0.00 N ATOM 1457 CA ALA A 102 13.074 -7.959 10.547 1.00 0.00 C ATOM 1458 C ALA A 102 12.117 -8.716 9.634 1.00 0.00 C ATOM 1459 O ALA A 102 11.039 -8.224 9.302 1.00 0.00 O ATOM 1460 CB ALA A 102 12.967 -8.475 11.974 1.00 0.00 C ATOM 0 H ALA A 102 12.489 -6.131 11.390 1.00 0.00 H new ATOM 0 HA ALA A 102 14.089 -8.130 10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.164 -9.547 11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.696 -7.963 12.602 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.964 -8.285 12.355 1.00 0.00 H new ATOM 1466 N ALA A 103 12.517 -9.918 9.231 1.00 0.00 N ATOM 1467 CA ALA A 103 11.693 -10.745 8.358 1.00 0.00 C ATOM 1468 C ALA A 103 10.503 -11.326 9.114 1.00 0.00 C ATOM 1469 O ALA A 103 10.666 -11.959 10.158 1.00 0.00 O ATOM 1470 CB ALA A 103 12.527 -11.860 7.744 1.00 0.00 C ATOM 0 H ALA A 103 13.407 -10.341 9.495 1.00 0.00 H new ATOM 0 HA ALA A 103 11.308 -10.113 7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.898 -12.469 7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.340 -11.427 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.941 -12.483 8.537 1.00 0.00 H new ATOM 1476 N THR A 104 9.305 -11.108 8.581 1.00 0.00 N ATOM 1477 CA THR A 104 8.088 -11.609 9.207 1.00 0.00 C ATOM 1478 C THR A 104 7.127 -12.173 8.166 1.00 0.00 C ATOM 1479 O THR A 104 7.025 -11.654 7.056 1.00 0.00 O ATOM 1480 CB THR A 104 7.371 -10.504 10.005 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.306 -9.302 9.229 1.00 0.00 O ATOM 1482 CG2 THR A 104 8.091 -10.229 11.316 1.00 0.00 C ATOM 0 H THR A 104 9.152 -10.588 7.717 1.00 0.00 H new ATOM 0 HA THR A 104 8.388 -12.404 9.890 1.00 0.00 H new ATOM 0 HB THR A 104 6.361 -10.846 10.229 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.847 -8.605 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.566 -9.445 11.862 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.112 -11.138 11.917 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.112 -9.907 11.110 1.00 0.00 H new ATOM 1490 N ASN A 105 6.424 -13.240 8.534 1.00 0.00 N ATOM 1491 CA ASN A 105 5.471 -13.875 7.631 1.00 0.00 C ATOM 1492 C ASN A 105 4.117 -13.172 7.687 1.00 0.00 C ATOM 1493 O ASN A 105 3.661 -12.768 8.756 1.00 0.00 O ATOM 1494 CB ASN A 105 5.305 -15.353 7.988 1.00 0.00 C ATOM 1495 CG ASN A 105 5.188 -15.578 9.483 1.00 0.00 C ATOM 1496 OD1 ASN A 105 6.179 -15.515 10.211 1.00 0.00 O ATOM 1497 ND2 ASN A 105 3.973 -15.841 9.948 1.00 0.00 N ATOM 0 H ASN A 105 6.496 -13.682 9.450 1.00 0.00 H new ATOM 0 HA ASN A 105 5.861 -13.795 6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.416 -15.746 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.157 -15.914 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.832 -16.001 10.946 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.180 -15.883 9.308 1.00 0.00 H new ATOM 1504 N ALA A 106 3.482 -13.032 6.528 1.00 0.00 N ATOM 1505 CA ALA A 106 2.179 -12.381 6.446 1.00 0.00 C ATOM 1506 C ALA A 106 1.406 -12.856 5.221 1.00 0.00 C ATOM 1507 O ALA A 106 1.993 -13.316 4.242 1.00 0.00 O ATOM 1508 CB ALA A 106 2.347 -10.869 6.414 1.00 0.00 C ATOM 0 H ALA A 106 3.847 -13.360 5.634 1.00 0.00 H new ATOM 0 HA ALA A 106 1.606 -12.653 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.367 -10.395 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.853 -10.540 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.941 -10.587 5.545 1.00 0.00 H new ATOM 1514 N LYS A 107 0.083 -12.742 5.283 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.773 -13.159 4.178 1.00 0.00 C ATOM 1516 C LYS A 107 -1.107 -11.977 3.273 1.00 0.00 C ATOM 1517 O LYS A 107 -0.856 -12.016 2.068 1.00 0.00 O ATOM 1518 CB LYS A 107 -2.063 -13.785 4.714 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.837 -15.066 5.498 1.00 0.00 C ATOM 1520 CD LYS A 107 -3.043 -15.987 5.419 1.00 0.00 C ATOM 1521 CE LYS A 107 -3.060 -16.771 4.116 1.00 0.00 C ATOM 1522 NZ LYS A 107 -4.448 -17.089 3.678 1.00 0.00 N ATOM 0 H LYS A 107 -0.419 -12.364 6.086 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.232 -13.902 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.569 -13.062 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.731 -13.994 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.958 -15.581 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.630 -14.824 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.030 -16.679 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.957 -15.399 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.557 -16.195 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.498 -17.696 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.417 -17.624 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.920 -17.660 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.977 -16.206 3.533 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.673 -10.929 3.860 1.00 0.00 N ATOM 1537 CA PHE A 108 -2.040 -9.736 3.106 1.00 0.00 C ATOM 1538 C PHE A 108 -1.274 -8.517 3.610 1.00 0.00 C ATOM 1539 O PHE A 108 -0.749 -8.515 4.724 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.545 -9.485 3.210 1.00 0.00 C ATOM 1541 CG PHE A 108 -4.360 -10.744 3.292 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -4.161 -11.772 2.384 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -5.321 -10.901 4.276 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -4.909 -12.933 2.457 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -6.073 -12.059 4.354 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.865 -13.076 3.444 1.00 0.00 C ATOM 0 H PHE A 108 -1.888 -10.881 4.856 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.777 -9.902 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.743 -8.876 4.092 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.869 -8.908 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.414 -11.665 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.486 -10.109 4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.746 -13.727 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.821 -12.167 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.449 -13.983 3.504 1.00 0.00 H new ATOM 1556 N VAL A 109 -1.212 -7.479 2.781 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.510 -6.253 3.141 1.00 0.00 C ATOM 1558 C VAL A 109 -1.352 -5.024 2.817 1.00 0.00 C ATOM 1559 O VAL A 109 -1.899 -4.904 1.721 1.00 0.00 O ATOM 1560 CB VAL A 109 0.840 -6.143 2.410 1.00 0.00 C ATOM 1561 CG1 VAL A 109 1.632 -4.951 2.927 1.00 0.00 C ATOM 1562 CG2 VAL A 109 1.636 -7.430 2.565 1.00 0.00 C ATOM 0 H VAL A 109 -1.640 -7.463 1.855 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.330 -6.295 4.215 1.00 0.00 H new ATOM 0 HB VAL A 109 0.647 -5.988 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.583 -4.889 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.064 -4.036 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.817 -5.072 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.588 -7.335 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.821 -7.619 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.071 -8.260 2.142 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.450 -4.110 3.778 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.226 -2.890 3.596 1.00 0.00 C ATOM 1574 C ARG A 110 -1.476 -1.681 4.149 1.00 0.00 C ATOM 1575 O ARG A 110 -0.899 -1.738 5.234 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.587 -3.016 4.284 1.00 0.00 C ATOM 1577 CG ARG A 110 -3.530 -2.800 5.788 1.00 0.00 C ATOM 1578 CD ARG A 110 -3.800 -1.348 6.151 1.00 0.00 C ATOM 1579 NE ARG A 110 -4.477 -1.223 7.440 1.00 0.00 N ATOM 1580 CZ ARG A 110 -5.727 -1.618 7.653 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -6.432 -2.162 6.670 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -6.275 -1.471 8.853 1.00 0.00 N ATOM 0 H ARG A 110 -1.001 -4.192 4.690 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.379 -2.745 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.274 -2.292 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.997 -4.006 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.263 -3.441 6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.549 -3.094 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.858 -0.801 6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.411 -0.888 5.374 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.962 -0.810 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.014 -2.278 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.392 -2.464 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.736 -1.054 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.235 -1.775 9.016 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.486 -0.588 3.392 1.00 0.00 N ATOM 1597 CA VAL A 111 -0.806 0.634 3.804 1.00 0.00 C ATOM 1598 C VAL A 111 -1.760 1.824 3.791 1.00 0.00 C ATOM 1599 O VAL A 111 -2.547 1.991 2.859 1.00 0.00 O ATOM 1600 CB VAL A 111 0.396 0.944 2.894 1.00 0.00 C ATOM 1601 CG1 VAL A 111 1.302 -0.273 2.775 1.00 0.00 C ATOM 1602 CG2 VAL A 111 -0.078 1.401 1.523 1.00 0.00 C ATOM 0 H VAL A 111 -1.958 -0.524 2.490 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.448 0.469 4.820 1.00 0.00 H new ATOM 0 HB VAL A 111 0.971 1.754 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.147 -0.036 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.669 -0.552 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.741 -1.104 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.785 1.616 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.676 0.614 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.683 2.301 1.629 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.683 2.648 4.830 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.541 3.822 4.938 1.00 0.00 C ATOM 1614 C TYR A 112 -1.737 5.047 5.364 1.00 0.00 C ATOM 1615 O TYR A 112 -0.673 4.925 5.970 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.669 3.566 5.939 1.00 0.00 C ATOM 1617 CG TYR A 112 -3.268 3.806 7.377 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -3.394 5.064 7.954 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -2.763 2.775 8.160 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -3.029 5.288 9.267 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -2.395 2.989 9.475 1.00 0.00 C ATOM 1622 CZ TYR A 112 -2.530 4.247 10.023 1.00 0.00 C ATOM 1623 OH TYR A 112 -2.166 4.465 11.332 1.00 0.00 O ATOM 0 H TYR A 112 -1.036 2.525 5.609 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.973 4.016 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.514 4.209 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.011 2.537 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.784 5.881 7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.656 1.789 7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.133 6.272 9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.004 2.176 10.069 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.836 3.629 11.723 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.254 6.228 5.041 1.00 0.00 N ATOM 1634 CA ALA A 113 -1.587 7.475 5.391 1.00 0.00 C ATOM 1635 C ALA A 113 -2.491 8.362 6.241 1.00 0.00 C ATOM 1636 O ALA A 113 -3.619 8.669 5.855 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.152 8.214 4.133 1.00 0.00 C ATOM 0 H ALA A 113 -3.133 6.347 4.537 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.703 7.231 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.655 9.144 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.463 7.590 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.026 8.438 3.522 1.00 0.00 H new ATOM 1643 N THR A 114 -1.989 8.772 7.402 1.00 0.00 N ATOM 1644 CA THR A 114 -2.752 9.621 8.307 1.00 0.00 C ATOM 1645 C THR A 114 -2.696 11.081 7.870 1.00 0.00 C ATOM 1646 O THR A 114 -3.460 11.916 8.356 1.00 0.00 O ATOM 1647 CB THR A 114 -2.233 9.510 9.753 1.00 0.00 C ATOM 1648 OG1 THR A 114 -3.123 10.188 10.647 1.00 0.00 O ATOM 1649 CG2 THR A 114 -0.837 10.104 9.874 1.00 0.00 C ATOM 0 H THR A 114 -1.057 8.529 7.737 1.00 0.00 H new ATOM 0 HA THR A 114 -3.784 9.273 8.271 1.00 0.00 H new ATOM 0 HB THR A 114 -2.187 8.454 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.587 10.905 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.491 10.014 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.155 9.568 9.214 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.863 11.156 9.591 1.00 0.00 H new ATOM 1657 N THR A 115 -1.787 11.383 6.948 1.00 0.00 N ATOM 1658 CA THR A 115 -1.631 12.742 6.446 1.00 0.00 C ATOM 1659 C THR A 115 -2.776 13.117 5.510 1.00 0.00 C ATOM 1660 O THR A 115 -3.451 12.246 4.960 1.00 0.00 O ATOM 1661 CB THR A 115 -0.295 12.915 5.699 1.00 0.00 C ATOM 1662 OG1 THR A 115 0.772 12.349 6.468 1.00 0.00 O ATOM 1663 CG2 THR A 115 -0.010 14.385 5.433 1.00 0.00 C ATOM 0 H THR A 115 -1.148 10.704 6.534 1.00 0.00 H new ATOM 0 HA THR A 115 -1.642 13.403 7.313 1.00 0.00 H new ATOM 0 HB THR A 115 -0.369 12.397 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 115 1.100 11.538 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.938 14.482 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.810 14.806 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 115 0.046 14.922 6.380 1.00 0.00 H new ATOM 1671 N ARG A 116 -2.987 14.417 5.331 1.00 0.00 N ATOM 1672 CA ARG A 116 -4.049 14.906 4.463 1.00 0.00 C ATOM 1673 C ARG A 116 -3.836 14.438 3.025 1.00 0.00 C ATOM 1674 O ARG A 116 -3.050 13.525 2.770 1.00 0.00 O ATOM 1675 CB ARG A 116 -4.112 16.434 4.508 1.00 0.00 C ATOM 1676 CG ARG A 116 -4.060 17.003 5.916 1.00 0.00 C ATOM 1677 CD ARG A 116 -5.191 17.991 6.159 1.00 0.00 C ATOM 1678 NE ARG A 116 -6.503 17.368 6.016 1.00 0.00 N ATOM 1679 CZ ARG A 116 -7.620 18.049 5.788 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -7.584 19.370 5.678 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -8.777 17.410 5.669 1.00 0.00 N ATOM 0 H ARG A 116 -2.435 15.150 5.776 1.00 0.00 H new ATOM 0 HA ARG A 116 -4.994 14.499 4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -3.282 16.841 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.031 16.766 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.123 16.191 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.102 17.498 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.096 18.411 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.105 18.820 5.457 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.565 16.353 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.697 19.865 5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.443 19.891 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.809 16.394 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.634 17.935 5.494 1.00 0.00 H new ATOM 1695 N ALA A 117 -4.541 15.067 2.092 1.00 0.00 N ATOM 1696 CA ALA A 117 -4.427 14.717 0.682 1.00 0.00 C ATOM 1697 C ALA A 117 -5.059 15.786 -0.203 1.00 0.00 C ATOM 1698 O ALA A 117 -6.275 15.809 -0.395 1.00 0.00 O ATOM 1699 CB ALA A 117 -5.072 13.364 0.421 1.00 0.00 C ATOM 0 H ALA A 117 -5.198 15.822 2.287 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.368 14.657 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.980 13.115 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -4.572 12.601 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.127 13.405 0.693 1.00 0.00 H new ATOM 1705 N THR A 118 -4.226 16.672 -0.739 1.00 0.00 N ATOM 1706 CA THR A 118 -4.704 17.746 -1.601 1.00 0.00 C ATOM 1707 C THR A 118 -5.467 17.190 -2.799 1.00 0.00 C ATOM 1708 O THR A 118 -5.949 16.059 -2.769 1.00 0.00 O ATOM 1709 CB THR A 118 -3.540 18.619 -2.109 1.00 0.00 C ATOM 1710 OG1 THR A 118 -2.363 18.363 -1.335 1.00 0.00 O ATOM 1711 CG2 THR A 118 -3.896 20.096 -2.026 1.00 0.00 C ATOM 0 H THR A 118 -3.217 16.667 -0.591 1.00 0.00 H new ATOM 0 HA THR A 118 -5.374 18.360 -0.999 1.00 0.00 H new ATOM 0 HB THR A 118 -3.351 18.365 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.671 17.976 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.060 20.693 -2.390 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.776 20.293 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.108 20.362 -0.990 1.00 0.00 H new ATOM 1719 N ALA A 119 -5.572 17.994 -3.852 1.00 0.00 N ATOM 1720 CA ALA A 119 -6.274 17.582 -5.061 1.00 0.00 C ATOM 1721 C ALA A 119 -5.917 16.148 -5.441 1.00 0.00 C ATOM 1722 O ALA A 119 -6.731 15.428 -6.019 1.00 0.00 O ATOM 1723 CB ALA A 119 -5.953 18.529 -6.207 1.00 0.00 C ATOM 0 H ALA A 119 -5.180 18.935 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.345 17.622 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.484 18.209 -7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -6.264 19.539 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.880 18.518 -6.398 1.00 0.00 H new ATOM 1729 N TYR A 120 -4.695 15.742 -5.113 1.00 0.00 N ATOM 1730 CA TYR A 120 -4.230 14.395 -5.424 1.00 0.00 C ATOM 1731 C TYR A 120 -4.168 13.537 -4.164 1.00 0.00 C ATOM 1732 O TYR A 120 -3.233 13.644 -3.371 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.852 14.450 -6.085 1.00 0.00 C ATOM 1734 CG TYR A 120 -2.721 13.541 -7.288 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.434 12.350 -7.365 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -1.886 13.876 -8.347 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -3.316 11.518 -8.461 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -1.764 13.049 -9.448 1.00 0.00 C ATOM 1739 CZ TYR A 120 -2.481 11.872 -9.500 1.00 0.00 C ATOM 1740 OH TYR A 120 -2.364 11.046 -10.594 1.00 0.00 O ATOM 0 H TYR A 120 -4.010 16.325 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.940 13.942 -6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.645 15.476 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.094 14.178 -5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.091 12.071 -6.554 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.323 14.797 -8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -3.875 10.595 -8.504 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.111 13.323 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.738 11.441 -11.236 1.00 0.00 H new ATOM 1750 N GLY A 121 -5.171 12.682 -3.988 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.214 11.816 -2.824 1.00 0.00 C ATOM 1752 C GLY A 121 -3.892 11.117 -2.574 1.00 0.00 C ATOM 1753 O GLY A 121 -3.018 11.652 -1.892 1.00 0.00 O ATOM 0 H GLY A 121 -5.955 12.574 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.482 12.404 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.997 11.070 -2.959 1.00 0.00 H new ATOM 1757 N TYR A 122 -3.746 9.918 -3.126 1.00 0.00 N ATOM 1758 CA TYR A 122 -2.524 9.141 -2.956 1.00 0.00 C ATOM 1759 C TYR A 122 -2.182 8.375 -4.231 1.00 0.00 C ATOM 1760 O TYR A 122 -3.034 7.700 -4.809 1.00 0.00 O ATOM 1761 CB TYR A 122 -2.672 8.166 -1.786 1.00 0.00 C ATOM 1762 CG TYR A 122 -3.326 6.858 -2.168 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -4.630 6.823 -2.646 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -2.639 5.656 -2.052 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -5.231 5.629 -2.995 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -3.231 4.457 -2.400 1.00 0.00 C ATOM 1767 CZ TYR A 122 -4.528 4.450 -2.870 1.00 0.00 C ATOM 1768 OH TYR A 122 -5.123 3.259 -3.219 1.00 0.00 O ATOM 0 H TYR A 122 -4.459 9.463 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.711 9.835 -2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -1.687 7.961 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -3.260 8.641 -1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.183 7.745 -2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.624 5.659 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.246 5.619 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -2.682 3.532 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 122 -5.452 3.315 -4.140 1.00 0.00 H new ATOM 1778 N SER A 123 -0.930 8.486 -4.662 1.00 0.00 N ATOM 1779 CA SER A 123 -0.475 7.808 -5.870 1.00 0.00 C ATOM 1780 C SER A 123 0.436 6.634 -5.524 1.00 0.00 C ATOM 1781 O SER A 123 1.191 6.685 -4.552 1.00 0.00 O ATOM 1782 CB SER A 123 0.262 8.788 -6.785 1.00 0.00 C ATOM 1783 OG SER A 123 -0.570 9.222 -7.845 1.00 0.00 O ATOM 0 H SER A 123 -0.213 9.039 -4.193 1.00 0.00 H new ATOM 0 HA SER A 123 -1.351 7.424 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.597 9.649 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.154 8.310 -7.191 1.00 0.00 H new ATOM 0 HG SER A 123 -0.815 8.455 -8.404 1.00 0.00 H new ATOM 1789 N LEU A 124 0.358 5.577 -6.325 1.00 0.00 N ATOM 1790 CA LEU A 124 1.175 4.389 -6.104 1.00 0.00 C ATOM 1791 C LEU A 124 1.805 3.911 -7.408 1.00 0.00 C ATOM 1792 O LEU A 124 1.297 2.995 -8.056 1.00 0.00 O ATOM 1793 CB LEU A 124 0.329 3.270 -5.494 1.00 0.00 C ATOM 1794 CG LEU A 124 1.099 2.067 -4.948 1.00 0.00 C ATOM 1795 CD1 LEU A 124 0.787 1.857 -3.474 1.00 0.00 C ATOM 1796 CD2 LEU A 124 0.771 0.815 -5.748 1.00 0.00 C ATOM 0 H LEU A 124 -0.262 5.518 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 124 1.974 4.652 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.267 3.692 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.369 2.915 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 124 2.166 2.268 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.344 0.997 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.074 2.745 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.281 1.679 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.328 -0.031 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.298 0.610 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.047 0.967 -6.791 1.00 0.00 H new ATOM 1808 N TRP A 125 2.914 4.536 -7.787 1.00 0.00 N ATOM 1809 CA TRP A 125 3.615 4.174 -9.014 1.00 0.00 C ATOM 1810 C TRP A 125 4.836 3.313 -8.709 1.00 0.00 C ATOM 1811 O TRP A 125 5.374 2.649 -9.593 1.00 0.00 O ATOM 1812 CB TRP A 125 4.038 5.431 -9.775 1.00 0.00 C ATOM 1813 CG TRP A 125 2.904 6.105 -10.486 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.704 6.474 -9.950 1.00 0.00 C ATOM 1815 CD2 TRP A 125 2.864 6.489 -11.864 1.00 0.00 C ATOM 1816 NE1 TRP A 125 0.920 7.064 -10.912 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.609 7.086 -12.095 1.00 0.00 C ATOM 1818 CE3 TRP A 125 3.768 6.389 -12.926 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.238 7.577 -13.343 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.396 6.877 -14.165 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.140 7.466 -14.365 1.00 0.00 C ATOM 0 H TRP A 125 3.347 5.296 -7.262 1.00 0.00 H new ATOM 0 HA TRP A 125 2.932 3.595 -9.636 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.489 6.135 -9.076 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.806 5.166 -10.501 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.413 6.324 -8.921 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.022 7.427 -10.768 1.00 0.00 H new ATOM 0 HE3 TRP A 125 4.739 5.939 -12.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.270 8.030 -13.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.085 6.803 -14.993 1.00 0.00 H new ATOM 0 HH2 TRP A 125 1.880 7.839 -15.344 1.00 0.00 H new ATOM 1832 N GLU A 126 5.268 3.331 -7.452 1.00 0.00 N ATOM 1833 CA GLU A 126 6.427 2.552 -7.032 1.00 0.00 C ATOM 1834 C GLU A 126 6.195 1.927 -5.659 1.00 0.00 C ATOM 1835 O GLU A 126 6.704 2.415 -4.650 1.00 0.00 O ATOM 1836 CB GLU A 126 7.677 3.433 -6.999 1.00 0.00 C ATOM 1837 CG GLU A 126 7.804 4.356 -8.201 1.00 0.00 C ATOM 1838 CD GLU A 126 9.243 4.718 -8.508 1.00 0.00 C ATOM 1839 OE1 GLU A 126 9.911 3.944 -9.227 1.00 0.00 O ATOM 1840 OE2 GLU A 126 9.703 5.776 -8.031 1.00 0.00 O ATOM 0 H GLU A 126 4.833 3.876 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 126 6.575 1.751 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.664 4.034 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.559 2.795 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.360 3.875 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 126 7.235 5.267 -8.016 1.00 0.00 H new ATOM 1847 N PHE A 127 5.423 0.847 -5.629 1.00 0.00 N ATOM 1848 CA PHE A 127 5.121 0.156 -4.382 1.00 0.00 C ATOM 1849 C PHE A 127 5.440 -1.332 -4.492 1.00 0.00 C ATOM 1850 O PHE A 127 4.677 -2.098 -5.081 1.00 0.00 O ATOM 1851 CB PHE A 127 3.650 0.348 -4.010 1.00 0.00 C ATOM 1852 CG PHE A 127 3.231 -0.427 -2.794 1.00 0.00 C ATOM 1853 CD1 PHE A 127 4.121 -0.640 -1.753 1.00 0.00 C ATOM 1854 CD2 PHE A 127 1.949 -0.942 -2.690 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.740 -1.354 -0.633 1.00 0.00 C ATOM 1856 CE2 PHE A 127 1.562 -1.656 -1.571 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.458 -1.861 -0.541 1.00 0.00 C ATOM 0 H PHE A 127 4.994 0.431 -6.456 1.00 0.00 H new ATOM 0 HA PHE A 127 5.745 0.586 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.463 1.408 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.028 0.048 -4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.123 -0.243 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.244 -0.784 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.444 -1.516 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.560 -2.053 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.157 -2.417 0.335 1.00 0.00 H new ATOM 1867 N GLU A 128 6.572 -1.732 -3.923 1.00 0.00 N ATOM 1868 CA GLU A 128 6.993 -3.128 -3.960 1.00 0.00 C ATOM 1869 C GLU A 128 7.133 -3.691 -2.548 1.00 0.00 C ATOM 1870 O GLU A 128 7.863 -3.146 -1.720 1.00 0.00 O ATOM 1871 CB GLU A 128 8.320 -3.265 -4.709 1.00 0.00 C ATOM 1872 CG GLU A 128 8.226 -2.905 -6.183 1.00 0.00 C ATOM 1873 CD GLU A 128 9.425 -2.112 -6.666 1.00 0.00 C ATOM 1874 OE1 GLU A 128 9.836 -1.168 -5.958 1.00 0.00 O ATOM 1875 OE2 GLU A 128 9.952 -2.434 -7.751 1.00 0.00 O ATOM 0 H GLU A 128 7.214 -1.110 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 128 6.227 -3.698 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.064 -2.625 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 128 8.676 -4.291 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 128 8.138 -3.818 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.319 -2.326 -6.355 1.00 0.00 H new ATOM 1882 N VAL A 129 6.426 -4.785 -2.281 1.00 0.00 N ATOM 1883 CA VAL A 129 6.472 -5.423 -0.971 1.00 0.00 C ATOM 1884 C VAL A 129 6.458 -6.942 -1.098 1.00 0.00 C ATOM 1885 O VAL A 129 5.466 -7.531 -1.527 1.00 0.00 O ATOM 1886 CB VAL A 129 5.287 -4.982 -0.091 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.974 -5.155 -0.839 1.00 0.00 C ATOM 1888 CG2 VAL A 129 5.274 -5.764 1.213 1.00 0.00 C ATOM 0 H VAL A 129 5.815 -5.247 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 129 7.403 -5.110 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 129 5.406 -3.925 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 129 3.148 -4.839 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.988 -4.547 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.844 -6.203 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 129 4.431 -5.440 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 129 5.179 -6.828 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 129 6.203 -5.585 1.754 1.00 0.00 H new ATOM 1898 N TYR A 130 7.566 -7.571 -0.724 1.00 0.00 N ATOM 1899 CA TYR A 130 7.684 -9.023 -0.798 1.00 0.00 C ATOM 1900 C TYR A 130 9.074 -9.480 -0.366 1.00 0.00 C ATOM 1901 O TYR A 130 10.020 -8.693 -0.344 1.00 0.00 O ATOM 1902 CB TYR A 130 7.394 -9.507 -2.219 1.00 0.00 C ATOM 1903 CG TYR A 130 8.067 -8.679 -3.290 1.00 0.00 C ATOM 1904 CD1 TYR A 130 9.442 -8.734 -3.477 1.00 0.00 C ATOM 1905 CD2 TYR A 130 7.327 -7.841 -4.116 1.00 0.00 C ATOM 1906 CE1 TYR A 130 10.062 -7.978 -4.454 1.00 0.00 C ATOM 1907 CE2 TYR A 130 7.938 -7.083 -5.097 1.00 0.00 C ATOM 1908 CZ TYR A 130 9.306 -7.155 -5.261 1.00 0.00 C ATOM 1909 OH TYR A 130 9.918 -6.402 -6.236 1.00 0.00 O ATOM 0 H TYR A 130 8.396 -7.098 -0.366 1.00 0.00 H new ATOM 0 HA TYR A 130 6.952 -9.457 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.719 -10.543 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 130 6.317 -9.495 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 130 10.037 -9.379 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.256 -7.781 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 130 11.133 -8.032 -4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.348 -6.438 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 130 9.243 -5.878 -6.716 1.00 0.00 H new ATOM 1919 N GLY A 131 9.190 -10.760 -0.025 1.00 0.00 N ATOM 1920 CA GLY A 131 10.468 -11.301 0.400 1.00 0.00 C ATOM 1921 C GLY A 131 11.440 -11.465 -0.750 1.00 0.00 C ATOM 1922 O GLY A 131 12.579 -11.890 -0.554 1.00 0.00 O ATOM 0 H GLY A 131 8.422 -11.432 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 131 10.906 -10.643 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.309 -12.268 0.878 1.00 0.00 H new