USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 852 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 42 MET CE :methyl -161:sc= -0.0757 (180deg=-0.856) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= -0.441 USER MOD Set 2.1: A 21 HIS : no HD1:sc= -0.158 X(o=-0.55,f=-0.25) USER MOD Set 2.2: A 89 GLN : amide:sc= -0.394 K(o=-0.55,f=-1.8) USER MOD Single : A 2 THR OG1 : rot -18:sc= 0.806 USER MOD Single : A 3 THR OG1 : rot 158:sc= 1.26 USER MOD Single : A 4 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-2.2) USER MOD Single : A 10 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.8!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 23 HIS : no HD1:sc= -0.803 K(o=-0.8,f=0.23) USER MOD Single : A 26 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.013) USER MOD Single : A 30 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.79) USER MOD Single : A 32 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.0034) USER MOD Single : A 33 GLN : amide:sc= -0.568 K(o=-0.57,f=-6.9!) USER MOD Single : A 35 ASN : amide:sc= 0.208 K(o=0.21,f=-3.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 2.13 K(o=2.1,f=-10!) USER MOD Single : A 44 THR OG1 : rot 151:sc= 0.269 USER MOD Single : A 45 MET CE :methyl -122:sc= -1.91 (180deg=-2.29) USER MOD Single : A 52 GLN : amide:sc= -5.35! C(o=-5.4!,f=-4.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.985 K(o=-0.99,f=0.26) USER MOD Single : A 65 ASN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= 0.4 (180deg=0.363) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 79 TYR OH : rot -145:sc= -0.329 USER MOD Single : A 81 MET CE :methyl 165:sc= -0.154 (180deg=-0.839) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 87 HIS : no HD1:sc= 0.101 K(o=0.1,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0504) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -17.111 0.014 5.174 1.00 0.00 N ATOM 21 CA THR A 2 -16.329 1.240 5.273 1.00 0.00 C ATOM 22 C THR A 2 -14.824 0.970 5.299 1.00 0.00 C ATOM 23 O THR A 2 -14.026 1.860 4.997 1.00 0.00 O ATOM 24 CB THR A 2 -16.728 2.008 6.539 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.730 1.261 7.243 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.265 3.389 6.189 1.00 0.00 C ATOM 0 HA THR A 2 -16.544 1.833 4.384 1.00 0.00 H new ATOM 0 HB THR A 2 -15.847 2.136 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.130 0.600 6.640 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.541 3.914 7.103 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.497 3.956 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.142 3.287 5.550 1.00 0.00 H new ATOM 34 N THR A 3 -14.441 -0.251 5.655 1.00 0.00 N ATOM 35 CA THR A 3 -13.035 -0.640 5.665 1.00 0.00 C ATOM 36 C THR A 3 -12.403 -0.407 4.295 1.00 0.00 C ATOM 37 O THR A 3 -11.285 0.095 4.193 1.00 0.00 O ATOM 38 CB THR A 3 -12.875 -2.122 6.045 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.583 -2.394 7.259 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.407 -2.492 6.214 1.00 0.00 C ATOM 0 H THR A 3 -15.084 -0.989 5.941 1.00 0.00 H new ATOM 0 HA THR A 3 -12.530 -0.024 6.409 1.00 0.00 H new ATOM 0 HB THR A 3 -13.289 -2.724 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.780 -3.352 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.326 -3.545 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.877 -2.314 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.966 -1.882 7.002 1.00 0.00 H new ATOM 48 N HIS A 4 -13.147 -0.746 3.244 1.00 0.00 N ATOM 49 CA HIS A 4 -12.665 -0.582 1.874 1.00 0.00 C ATOM 50 C HIS A 4 -12.354 0.883 1.586 1.00 0.00 C ATOM 51 O HIS A 4 -11.393 1.196 0.885 1.00 0.00 O ATOM 52 CB HIS A 4 -13.696 -1.107 0.868 1.00 0.00 C ATOM 53 CG HIS A 4 -13.886 -2.596 0.908 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.044 -3.198 1.350 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.064 -3.604 0.532 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.925 -4.510 1.242 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.734 -4.783 0.747 1.00 0.00 N ATOM 0 H HIS A 4 -14.087 -1.136 3.315 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.749 -1.163 1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.654 -0.624 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.388 -0.817 -0.137 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.065 -3.500 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.677 -5.236 1.514 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.370 -5.716 0.555 1.00 0.00 H new ATOM 66 N ASP A 5 -13.158 1.772 2.154 1.00 0.00 N ATOM 67 CA ASP A 5 -12.968 3.208 1.978 1.00 0.00 C ATOM 68 C ASP A 5 -11.715 3.677 2.707 1.00 0.00 C ATOM 69 O ASP A 5 -10.941 4.477 2.180 1.00 0.00 O ATOM 70 CB ASP A 5 -14.190 3.975 2.491 1.00 0.00 C ATOM 71 CG ASP A 5 -13.986 5.477 2.466 1.00 0.00 C ATOM 72 OD1 ASP A 5 -14.000 6.067 1.366 1.00 0.00 O ATOM 73 OD2 ASP A 5 -13.817 6.076 3.550 1.00 0.00 O ATOM 0 H ASP A 5 -13.952 1.523 2.744 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.847 3.408 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.057 3.719 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.412 3.659 3.510 1.00 0.00 H new ATOM 78 N ARG A 6 -11.508 3.157 3.912 1.00 0.00 N ATOM 79 CA ARG A 6 -10.344 3.523 4.710 1.00 0.00 C ATOM 80 C ARG A 6 -9.061 3.041 4.043 1.00 0.00 C ATOM 81 O ARG A 6 -8.026 3.704 4.122 1.00 0.00 O ATOM 82 CB ARG A 6 -10.447 2.952 6.126 1.00 0.00 C ATOM 83 CG ARG A 6 -11.708 3.374 6.863 1.00 0.00 C ATOM 84 CD ARG A 6 -11.616 3.064 8.347 1.00 0.00 C ATOM 85 NE ARG A 6 -10.613 3.894 9.014 1.00 0.00 N ATOM 86 CZ ARG A 6 -10.255 3.757 10.290 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.782 2.790 11.033 1.00 0.00 N ATOM 88 NH2 ARG A 6 -9.360 4.586 10.813 1.00 0.00 N ATOM 0 H ARG A 6 -12.130 2.482 4.357 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.316 4.610 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.414 1.864 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.577 3.269 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.872 4.442 6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.569 2.861 6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.588 3.224 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.366 2.012 8.484 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.158 4.625 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.464 2.149 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.505 2.689 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.950 5.323 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.082 4.486 11.789 1.00 0.00 H new ATOM 102 N VAL A 7 -9.137 1.887 3.381 1.00 0.00 N ATOM 103 CA VAL A 7 -8.004 1.359 2.629 1.00 0.00 C ATOM 104 C VAL A 7 -7.628 2.317 1.500 1.00 0.00 C ATOM 105 O VAL A 7 -6.450 2.575 1.255 1.00 0.00 O ATOM 106 CB VAL A 7 -8.303 -0.041 2.042 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.135 -0.542 1.205 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.619 -1.032 3.151 1.00 0.00 C ATOM 0 H VAL A 7 -9.972 1.302 3.351 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.170 1.262 3.324 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.175 0.047 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.371 -1.528 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.953 0.150 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.243 -0.608 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.826 -2.010 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.766 -1.108 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.492 -0.690 3.707 1.00 0.00 H new ATOM 118 N ARG A 8 -8.642 2.861 0.830 1.00 0.00 N ATOM 119 CA ARG A 8 -8.423 3.835 -0.234 1.00 0.00 C ATOM 120 C ARG A 8 -7.691 5.058 0.311 1.00 0.00 C ATOM 121 O ARG A 8 -6.752 5.559 -0.306 1.00 0.00 O ATOM 122 CB ARG A 8 -9.755 4.260 -0.859 1.00 0.00 C ATOM 123 CG ARG A 8 -9.611 5.336 -1.925 1.00 0.00 C ATOM 124 CD ARG A 8 -10.960 5.784 -2.464 1.00 0.00 C ATOM 125 NE ARG A 8 -11.838 6.271 -1.400 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.104 7.559 -1.176 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.584 8.500 -1.955 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.898 7.904 -0.174 1.00 0.00 N ATOM 0 H ARG A 8 -9.623 2.643 1.006 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.810 3.368 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.236 3.386 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.416 4.625 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.084 6.194 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.001 4.956 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.812 6.572 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.440 4.952 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.275 5.581 -0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.976 8.241 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.793 9.482 -1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.305 7.186 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.103 8.888 -0.001 1.00 0.00 H new ATOM 142 N LEU A 9 -8.126 5.520 1.478 1.00 0.00 N ATOM 143 CA LEU A 9 -7.505 6.664 2.135 1.00 0.00 C ATOM 144 C LEU A 9 -6.054 6.354 2.490 1.00 0.00 C ATOM 145 O LEU A 9 -5.179 7.214 2.377 1.00 0.00 O ATOM 146 CB LEU A 9 -8.283 7.032 3.401 1.00 0.00 C ATOM 147 CG LEU A 9 -9.772 7.310 3.192 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.446 7.611 4.519 1.00 0.00 C ATOM 149 CD2 LEU A 9 -9.972 8.462 2.218 1.00 0.00 C ATOM 0 H LEU A 9 -8.910 5.117 1.991 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.524 7.509 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.179 6.220 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.824 7.914 3.847 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.231 6.419 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.505 7.807 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.335 6.756 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.982 8.487 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.038 8.644 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.498 9.360 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.523 8.209 1.258 1.00 0.00 H new ATOM 161 N GLN A 10 -5.814 5.113 2.907 1.00 0.00 N ATOM 162 CA GLN A 10 -4.474 4.661 3.257 1.00 0.00 C ATOM 163 C GLN A 10 -3.571 4.710 2.027 1.00 0.00 C ATOM 164 O GLN A 10 -2.443 5.200 2.093 1.00 0.00 O ATOM 165 CB GLN A 10 -4.534 3.238 3.839 1.00 0.00 C ATOM 166 CG GLN A 10 -3.261 2.789 4.554 1.00 0.00 C ATOM 167 CD GLN A 10 -2.133 2.422 3.608 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.360 1.927 2.506 1.00 0.00 O ATOM 169 NE2 GLN A 10 -0.905 2.672 4.031 1.00 0.00 N ATOM 0 H GLN A 10 -6.536 4.400 3.010 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.057 5.323 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.368 3.181 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.747 2.538 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.925 3.587 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.491 1.929 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.757 3.084 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.106 2.453 3.436 1.00 0.00 H new ATOM 178 N LEU A 11 -4.084 4.216 0.906 1.00 0.00 N ATOM 179 CA LEU A 11 -3.353 4.238 -0.358 1.00 0.00 C ATOM 180 C LEU A 11 -2.961 5.665 -0.722 1.00 0.00 C ATOM 181 O LEU A 11 -1.836 5.927 -1.151 1.00 0.00 O ATOM 182 CB LEU A 11 -4.213 3.643 -1.475 1.00 0.00 C ATOM 183 CG LEU A 11 -4.647 2.194 -1.265 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.617 1.772 -2.355 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.437 1.270 -1.240 1.00 0.00 C ATOM 0 H LEU A 11 -5.010 3.792 0.846 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.449 3.640 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.105 4.259 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.658 3.706 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.152 2.120 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.918 0.737 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.497 2.415 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.133 1.861 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.767 0.242 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.903 1.344 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.774 1.561 -0.425 1.00 0.00 H new ATOM 197 N GLN A 12 -3.898 6.585 -0.531 1.00 0.00 N ATOM 198 CA GLN A 12 -3.666 7.993 -0.818 1.00 0.00 C ATOM 199 C GLN A 12 -2.593 8.562 0.108 1.00 0.00 C ATOM 200 O GLN A 12 -1.788 9.404 -0.299 1.00 0.00 O ATOM 201 CB GLN A 12 -4.970 8.781 -0.676 1.00 0.00 C ATOM 202 CG GLN A 12 -6.057 8.324 -1.638 1.00 0.00 C ATOM 203 CD GLN A 12 -7.354 9.091 -1.478 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.695 9.548 -0.389 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.090 9.230 -2.569 1.00 0.00 N ATOM 0 H GLN A 12 -4.832 6.378 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.312 8.084 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.335 8.685 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.767 9.839 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.699 8.437 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.248 7.262 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.770 8.835 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.977 9.732 -2.525 1.00 0.00 H new ATOM 214 N ALA A 13 -2.576 8.087 1.346 1.00 0.00 N ATOM 215 CA ALA A 13 -1.578 8.512 2.319 1.00 0.00 C ATOM 216 C ALA A 13 -0.198 7.987 1.940 1.00 0.00 C ATOM 217 O ALA A 13 0.802 8.700 2.054 1.00 0.00 O ATOM 218 CB ALA A 13 -1.962 8.042 3.714 1.00 0.00 C ATOM 0 H ALA A 13 -3.245 7.404 1.702 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.541 9.601 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.206 8.368 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.928 8.467 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.028 6.954 3.726 1.00 0.00 H new ATOM 224 N LEU A 14 -0.150 6.737 1.488 1.00 0.00 N ATOM 225 CA LEU A 14 1.093 6.129 1.029 1.00 0.00 C ATOM 226 C LEU A 14 1.644 6.899 -0.167 1.00 0.00 C ATOM 227 O LEU A 14 2.845 7.167 -0.250 1.00 0.00 O ATOM 228 CB LEU A 14 0.863 4.661 0.655 1.00 0.00 C ATOM 229 CG LEU A 14 2.112 3.897 0.206 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.137 3.831 1.327 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.740 2.498 -0.260 1.00 0.00 C ATOM 0 H LEU A 14 -0.963 6.123 1.430 1.00 0.00 H new ATOM 0 HA LEU A 14 1.821 6.170 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.432 4.147 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.124 4.618 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 14 2.558 4.434 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.015 3.284 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.428 4.842 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.703 3.320 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.639 1.969 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.268 1.955 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.046 2.566 -1.098 1.00 0.00 H new ATOM 243 N GLU A 15 0.753 7.264 -1.083 1.00 0.00 N ATOM 244 CA GLU A 15 1.122 8.091 -2.225 1.00 0.00 C ATOM 245 C GLU A 15 1.688 9.423 -1.748 1.00 0.00 C ATOM 246 O GLU A 15 2.738 9.865 -2.212 1.00 0.00 O ATOM 247 CB GLU A 15 -0.091 8.351 -3.114 1.00 0.00 C ATOM 248 CG GLU A 15 0.220 9.223 -4.318 1.00 0.00 C ATOM 249 CD GLU A 15 -0.981 10.014 -4.781 1.00 0.00 C ATOM 250 OE1 GLU A 15 -1.759 9.500 -5.608 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.157 11.153 -4.304 1.00 0.00 O ATOM 0 H GLU A 15 -0.232 6.999 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 15 1.879 7.557 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.491 7.397 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.871 8.828 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.029 9.909 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.576 8.596 -5.135 1.00 0.00 H new ATOM 258 N ALA A 16 0.987 10.050 -0.807 1.00 0.00 N ATOM 259 CA ALA A 16 1.394 11.341 -0.268 1.00 0.00 C ATOM 260 C ALA A 16 2.766 11.255 0.393 1.00 0.00 C ATOM 261 O ALA A 16 3.527 12.223 0.396 1.00 0.00 O ATOM 262 CB ALA A 16 0.359 11.851 0.724 1.00 0.00 C ATOM 0 H ALA A 16 0.128 9.680 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 16 1.464 12.045 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.677 12.816 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.602 11.963 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.259 11.140 1.544 1.00 0.00 H new ATOM 268 N LEU A 17 3.081 10.090 0.945 1.00 0.00 N ATOM 269 CA LEU A 17 4.379 9.866 1.565 1.00 0.00 C ATOM 270 C LEU A 17 5.488 9.966 0.523 1.00 0.00 C ATOM 271 O LEU A 17 6.460 10.696 0.705 1.00 0.00 O ATOM 272 CB LEU A 17 4.422 8.498 2.247 1.00 0.00 C ATOM 273 CG LEU A 17 5.714 8.196 3.004 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.456 8.120 4.501 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.338 6.906 2.497 1.00 0.00 C ATOM 0 H LEU A 17 2.454 9.286 0.976 1.00 0.00 H new ATOM 0 HA LEU A 17 4.534 10.636 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.586 8.429 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.272 7.727 1.491 1.00 0.00 H new ATOM 0 HG LEU A 17 6.416 9.010 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.390 7.904 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.058 9.073 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.735 7.329 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.258 6.706 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.640 6.082 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.564 7.004 1.435 1.00 0.00 H new ATOM 287 N LEU A 18 5.317 9.251 -0.581 1.00 0.00 N ATOM 288 CA LEU A 18 6.311 9.236 -1.652 1.00 0.00 C ATOM 289 C LEU A 18 6.211 10.491 -2.509 1.00 0.00 C ATOM 290 O LEU A 18 7.087 10.767 -3.331 1.00 0.00 O ATOM 291 CB LEU A 18 6.133 7.988 -2.521 1.00 0.00 C ATOM 292 CG LEU A 18 6.295 6.657 -1.783 1.00 0.00 C ATOM 293 CD1 LEU A 18 5.951 5.494 -2.701 1.00 0.00 C ATOM 294 CD2 LEU A 18 7.712 6.512 -1.247 1.00 0.00 C ATOM 0 H LEU A 18 4.497 8.671 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 18 7.301 9.214 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.142 8.017 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.856 8.025 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 18 5.606 6.646 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.072 4.555 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.919 5.589 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.616 5.503 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.808 5.560 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.420 6.545 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.925 7.327 -0.556 1.00 0.00 H new ATOM 306 N ARG A 19 5.132 11.238 -2.324 1.00 0.00 N ATOM 307 CA ARG A 19 4.965 12.515 -2.997 1.00 0.00 C ATOM 308 C ARG A 19 5.860 13.561 -2.344 1.00 0.00 C ATOM 309 O ARG A 19 6.645 14.224 -3.015 1.00 0.00 O ATOM 310 CB ARG A 19 3.505 12.971 -2.934 1.00 0.00 C ATOM 311 CG ARG A 19 3.232 14.228 -3.742 1.00 0.00 C ATOM 312 CD ARG A 19 1.931 14.897 -3.328 1.00 0.00 C ATOM 313 NE ARG A 19 0.758 14.052 -3.551 1.00 0.00 N ATOM 314 CZ ARG A 19 -0.487 14.439 -3.272 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.708 15.640 -2.752 1.00 0.00 N ATOM 316 NH2 ARG A 19 -1.510 13.628 -3.509 1.00 0.00 N ATOM 0 H ARG A 19 4.358 10.980 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 19 5.247 12.397 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.865 12.167 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.232 13.150 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.057 14.928 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.190 13.976 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.985 15.163 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.814 15.827 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 19 0.900 13.120 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.075 16.267 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.661 15.936 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.346 12.703 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.460 13.929 -3.294 1.00 0.00 H new ATOM 330 N GLU A 20 5.742 13.687 -1.025 1.00 0.00 N ATOM 331 CA GLU A 20 6.539 14.647 -0.275 1.00 0.00 C ATOM 332 C GLU A 20 7.971 14.150 -0.133 1.00 0.00 C ATOM 333 O GLU A 20 8.918 14.936 -0.133 1.00 0.00 O ATOM 334 CB GLU A 20 5.918 14.906 1.097 1.00 0.00 C ATOM 335 CG GLU A 20 4.462 15.331 1.017 1.00 0.00 C ATOM 336 CD GLU A 20 3.922 15.835 2.335 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.786 15.029 3.278 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.612 17.042 2.429 1.00 0.00 O ATOM 0 H GLU A 20 5.101 13.135 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 20 6.554 15.589 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.995 14.002 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.490 15.680 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.358 16.113 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.860 14.486 0.683 1.00 0.00 H new ATOM 345 N HIS A 21 8.131 12.836 -0.021 1.00 0.00 N ATOM 346 CA HIS A 21 9.447 12.217 -0.099 1.00 0.00 C ATOM 347 C HIS A 21 9.709 11.867 -1.552 1.00 0.00 C ATOM 348 O HIS A 21 10.003 10.719 -1.879 1.00 0.00 O ATOM 349 CB HIS A 21 9.540 10.964 0.782 1.00 0.00 C ATOM 350 CG HIS A 21 9.486 11.246 2.254 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.576 11.671 2.981 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.460 11.165 3.136 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.225 11.839 4.241 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.946 11.541 4.362 1.00 0.00 N ATOM 0 H HIS A 21 7.364 12.179 0.124 1.00 0.00 H new ATOM 0 HA HIS A 21 10.199 12.915 0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.725 10.289 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.470 10.442 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.448 10.861 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.875 12.166 5.039 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.406 11.583 5.226 1.00 0.00 H new ATOM 363 N GLN A 22 9.546 12.898 -2.386 1.00 0.00 N ATOM 364 CA GLN A 22 9.618 12.842 -3.855 1.00 0.00 C ATOM 365 C GLN A 22 10.412 11.663 -4.406 1.00 0.00 C ATOM 366 O GLN A 22 11.609 11.766 -4.677 1.00 0.00 O ATOM 367 CB GLN A 22 10.205 14.144 -4.404 1.00 0.00 C ATOM 368 CG GLN A 22 9.372 15.376 -4.093 1.00 0.00 C ATOM 369 CD GLN A 22 9.981 16.642 -4.657 1.00 0.00 C ATOM 370 OE1 GLN A 22 11.200 16.751 -4.789 1.00 0.00 O ATOM 371 NE2 GLN A 22 9.141 17.606 -4.995 1.00 0.00 N ATOM 0 H GLN A 22 9.351 13.839 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 22 8.590 12.703 -4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.205 14.281 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.313 14.055 -5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.369 15.246 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.267 15.477 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.137 17.475 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.497 18.480 -5.381 1.00 0.00 H new ATOM 380 N HIS A 23 9.730 10.542 -4.540 1.00 0.00 N ATOM 381 CA HIS A 23 10.257 9.379 -5.238 1.00 0.00 C ATOM 382 C HIS A 23 9.144 8.747 -6.051 1.00 0.00 C ATOM 383 O HIS A 23 9.306 7.672 -6.621 1.00 0.00 O ATOM 384 CB HIS A 23 10.842 8.350 -4.260 1.00 0.00 C ATOM 385 CG HIS A 23 12.209 8.699 -3.757 1.00 0.00 C ATOM 386 ND1 HIS A 23 13.363 8.256 -4.356 1.00 0.00 N ATOM 387 CD2 HIS A 23 12.603 9.460 -2.710 1.00 0.00 C ATOM 388 CE1 HIS A 23 14.407 8.729 -3.703 1.00 0.00 C ATOM 389 NE2 HIS A 23 13.976 9.468 -2.698 1.00 0.00 N ATOM 0 H HIS A 23 8.790 10.409 -4.167 1.00 0.00 H new ATOM 0 HA HIS A 23 11.065 9.704 -5.894 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.168 8.248 -3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.884 7.378 -4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.956 9.969 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.442 8.543 -3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.564 9.962 -2.026 1.00 0.00 H new ATOM 398 N TRP A 24 8.016 9.448 -6.103 1.00 0.00 N ATOM 399 CA TRP A 24 6.820 8.958 -6.766 1.00 0.00 C ATOM 400 C TRP A 24 6.939 9.117 -8.275 1.00 0.00 C ATOM 401 O TRP A 24 7.296 10.186 -8.769 1.00 0.00 O ATOM 402 CB TRP A 24 5.596 9.719 -6.240 1.00 0.00 C ATOM 403 CG TRP A 24 4.309 9.374 -6.930 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.673 10.114 -7.887 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.497 8.213 -6.715 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.520 9.482 -8.283 1.00 0.00 N ATOM 407 CE2 TRP A 24 2.390 8.314 -7.579 1.00 0.00 C ATOM 408 CE3 TRP A 24 3.600 7.097 -5.879 1.00 0.00 C ATOM 409 CZ2 TRP A 24 1.393 7.342 -7.629 1.00 0.00 C ATOM 410 CZ3 TRP A 24 2.610 6.133 -5.931 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.520 6.261 -6.800 1.00 0.00 C ATOM 0 H TRP A 24 7.909 10.372 -5.685 1.00 0.00 H new ATOM 0 HA TRP A 24 6.703 7.896 -6.548 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.488 9.517 -5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.775 10.789 -6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.026 11.058 -8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.867 9.826 -8.987 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.437 6.990 -5.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.551 7.438 -8.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.679 5.266 -5.290 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.764 5.490 -6.816 1.00 0.00 H new ATOM 422 N ARG A 25 6.647 8.041 -8.993 1.00 0.00 N ATOM 423 CA ARG A 25 6.673 8.051 -10.449 1.00 0.00 C ATOM 424 C ARG A 25 5.660 9.037 -11.018 1.00 0.00 C ATOM 425 O ARG A 25 4.457 8.893 -10.803 1.00 0.00 O ATOM 426 CB ARG A 25 6.350 6.663 -11.002 1.00 0.00 C ATOM 427 CG ARG A 25 7.444 5.628 -10.827 1.00 0.00 C ATOM 428 CD ARG A 25 6.962 4.267 -11.299 1.00 0.00 C ATOM 429 NE ARG A 25 8.038 3.285 -11.392 1.00 0.00 N ATOM 430 CZ ARG A 25 7.850 2.023 -11.774 1.00 0.00 C ATOM 431 NH1 ARG A 25 6.623 1.568 -12.005 1.00 0.00 N ATOM 432 NH2 ARG A 25 8.885 1.208 -11.898 1.00 0.00 N ATOM 0 H ARG A 25 6.387 7.143 -8.586 1.00 0.00 H new ATOM 0 HA ARG A 25 7.678 8.352 -10.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.445 6.298 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.126 6.756 -12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.328 5.924 -11.392 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.739 5.574 -9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.199 3.899 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.488 4.373 -12.275 1.00 0.00 H new ATOM 0 HE ARG A 25 8.984 3.581 -11.152 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.820 2.186 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.484 0.601 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.827 1.546 -11.701 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.741 0.242 -12.191 1.00 0.00 H new ATOM 446 N ASN A 26 6.144 10.022 -11.752 1.00 0.00 N ATOM 447 CA ASN A 26 5.274 10.906 -12.519 1.00 0.00 C ATOM 448 C ASN A 26 5.135 10.352 -13.931 1.00 0.00 C ATOM 449 O ASN A 26 4.932 11.086 -14.898 1.00 0.00 O ATOM 450 CB ASN A 26 5.840 12.331 -12.557 1.00 0.00 C ATOM 451 CG ASN A 26 5.916 12.976 -11.183 1.00 0.00 C ATOM 452 OD1 ASN A 26 6.782 13.812 -10.926 1.00 0.00 O ATOM 453 ND2 ASN A 26 5.013 12.598 -10.289 1.00 0.00 N ATOM 0 H ASN A 26 7.138 10.234 -11.836 1.00 0.00 H new ATOM 0 HA ASN A 26 4.295 10.952 -12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.837 12.309 -12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.218 12.946 -13.207 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.022 13.003 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.310 11.902 -10.537 1.00 0.00 H new ATOM 460 N ASP A 27 5.244 9.032 -14.018 1.00 0.00 N ATOM 461 CA ASP A 27 5.221 8.317 -15.286 1.00 0.00 C ATOM 462 C ASP A 27 3.877 7.594 -15.438 1.00 0.00 C ATOM 463 O ASP A 27 2.897 7.966 -14.788 1.00 0.00 O ATOM 464 CB ASP A 27 6.392 7.323 -15.316 1.00 0.00 C ATOM 465 CG ASP A 27 6.740 6.853 -16.712 1.00 0.00 C ATOM 466 OD1 ASP A 27 7.444 7.588 -17.433 1.00 0.00 O ATOM 467 OD2 ASP A 27 6.321 5.744 -17.090 1.00 0.00 O ATOM 0 H ASP A 27 5.351 8.425 -13.205 1.00 0.00 H new ATOM 0 HA ASP A 27 5.330 9.012 -16.119 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.269 7.791 -14.868 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.142 6.459 -14.700 1.00 0.00 H new ATOM 472 N GLU A 28 3.826 6.569 -16.278 1.00 0.00 N ATOM 473 CA GLU A 28 2.589 5.842 -16.521 1.00 0.00 C ATOM 474 C GLU A 28 2.904 4.379 -16.842 1.00 0.00 C ATOM 475 O GLU A 28 3.810 4.098 -17.624 1.00 0.00 O ATOM 476 CB GLU A 28 1.815 6.504 -17.664 1.00 0.00 C ATOM 477 CG GLU A 28 0.356 6.093 -17.744 1.00 0.00 C ATOM 478 CD GLU A 28 -0.426 6.934 -18.728 1.00 0.00 C ATOM 479 OE1 GLU A 28 -0.482 6.568 -19.916 1.00 0.00 O ATOM 480 OE2 GLU A 28 -0.985 7.972 -18.321 1.00 0.00 O ATOM 0 H GLU A 28 4.629 6.222 -16.803 1.00 0.00 H new ATOM 0 HA GLU A 28 1.966 5.869 -15.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.871 7.586 -17.547 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.302 6.260 -18.608 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.292 5.044 -18.035 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.097 6.178 -16.756 1.00 0.00 H new ATOM 487 N PRO A 29 2.166 3.437 -16.222 1.00 0.00 N ATOM 488 CA PRO A 29 2.431 1.991 -16.336 1.00 0.00 C ATOM 489 C PRO A 29 2.626 1.493 -17.770 1.00 0.00 C ATOM 490 O PRO A 29 1.769 1.687 -18.637 1.00 0.00 O ATOM 491 CB PRO A 29 1.178 1.360 -15.729 1.00 0.00 C ATOM 492 CG PRO A 29 0.683 2.369 -14.755 1.00 0.00 C ATOM 493 CD PRO A 29 1.010 3.711 -15.347 1.00 0.00 C ATOM 0 HA PRO A 29 3.366 1.731 -15.840 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.431 1.148 -16.494 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.409 0.415 -15.238 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.390 2.264 -14.596 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.163 2.243 -13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.169 4.116 -15.910 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.257 4.440 -14.575 1.00 0.00 H new ATOM 501 N GLN A 30 3.761 0.842 -17.996 1.00 0.00 N ATOM 502 CA GLN A 30 4.073 0.224 -19.280 1.00 0.00 C ATOM 503 C GLN A 30 4.114 -1.297 -19.131 1.00 0.00 C ATOM 504 O GLN A 30 4.520 -1.806 -18.088 1.00 0.00 O ATOM 505 CB GLN A 30 5.415 0.737 -19.809 1.00 0.00 C ATOM 506 CG GLN A 30 5.326 2.082 -20.512 1.00 0.00 C ATOM 507 CD GLN A 30 4.541 2.008 -21.809 1.00 0.00 C ATOM 508 OE1 GLN A 30 3.325 2.189 -21.823 1.00 0.00 O ATOM 509 NE2 GLN A 30 5.229 1.747 -22.908 1.00 0.00 N ATOM 0 H GLN A 30 4.492 0.727 -17.294 1.00 0.00 H new ATOM 0 HA GLN A 30 3.294 0.491 -19.994 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.115 0.818 -18.978 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.826 0.003 -20.501 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.855 2.806 -19.847 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.332 2.447 -20.720 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.237 1.603 -22.856 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.751 1.690 -23.807 1.00 0.00 H new ATOM 518 N PRO A 31 3.690 -2.035 -20.174 1.00 0.00 N ATOM 519 CA PRO A 31 3.616 -3.504 -20.153 1.00 0.00 C ATOM 520 C PRO A 31 4.915 -4.191 -19.716 1.00 0.00 C ATOM 521 O PRO A 31 4.873 -5.234 -19.061 1.00 0.00 O ATOM 522 CB PRO A 31 3.280 -3.880 -21.604 1.00 0.00 C ATOM 523 CG PRO A 31 3.452 -2.630 -22.403 1.00 0.00 C ATOM 524 CD PRO A 31 3.220 -1.492 -21.455 1.00 0.00 C ATOM 0 HA PRO A 31 2.879 -3.836 -19.422 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.940 -4.668 -21.966 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.260 -4.257 -21.683 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.451 -2.579 -22.835 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.744 -2.597 -23.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.778 -0.602 -21.747 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.168 -1.209 -21.413 1.00 0.00 H new ATOM 532 N HIS A 32 6.063 -3.614 -20.065 1.00 0.00 N ATOM 533 CA HIS A 32 7.357 -4.201 -19.706 1.00 0.00 C ATOM 534 C HIS A 32 7.549 -4.202 -18.188 1.00 0.00 C ATOM 535 O HIS A 32 8.274 -5.034 -17.648 1.00 0.00 O ATOM 536 CB HIS A 32 8.502 -3.440 -20.391 1.00 0.00 C ATOM 537 CG HIS A 32 9.853 -4.090 -20.269 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.461 -4.754 -21.313 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.728 -4.147 -19.236 1.00 0.00 C ATOM 540 CE1 HIS A 32 11.645 -5.192 -20.926 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.830 -4.837 -19.673 1.00 0.00 N ATOM 0 H HIS A 32 6.126 -2.744 -20.594 1.00 0.00 H new ATOM 0 HA HIS A 32 7.371 -5.234 -20.054 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.263 -3.327 -21.448 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.557 -2.437 -19.968 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.584 -3.727 -18.251 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.343 -5.747 -21.535 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.660 -5.042 -19.116 1.00 0.00 H new ATOM 550 N GLN A 33 6.878 -3.285 -17.503 1.00 0.00 N ATOM 551 CA GLN A 33 6.960 -3.208 -16.049 1.00 0.00 C ATOM 552 C GLN A 33 6.201 -4.368 -15.413 1.00 0.00 C ATOM 553 O GLN A 33 6.465 -4.749 -14.273 1.00 0.00 O ATOM 554 CB GLN A 33 6.398 -1.874 -15.552 1.00 0.00 C ATOM 555 CG GLN A 33 7.171 -0.668 -16.055 1.00 0.00 C ATOM 556 CD GLN A 33 6.515 0.646 -15.686 1.00 0.00 C ATOM 557 OE1 GLN A 33 5.294 0.737 -15.569 1.00 0.00 O ATOM 558 NE2 GLN A 33 7.322 1.677 -15.496 1.00 0.00 N ATOM 0 H GLN A 33 6.271 -2.585 -17.930 1.00 0.00 H new ATOM 0 HA GLN A 33 8.008 -3.274 -15.758 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.358 -1.787 -15.867 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.402 -1.870 -14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.181 -0.692 -15.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.266 -0.729 -17.139 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.330 1.562 -15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.936 2.587 -15.243 1.00 0.00 H new ATOM 567 N PHE A 34 5.271 -4.935 -16.173 1.00 0.00 N ATOM 568 CA PHE A 34 4.462 -6.054 -15.704 1.00 0.00 C ATOM 569 C PHE A 34 4.995 -7.369 -16.268 1.00 0.00 C ATOM 570 O PHE A 34 4.313 -8.395 -16.246 1.00 0.00 O ATOM 571 CB PHE A 34 2.999 -5.856 -16.115 1.00 0.00 C ATOM 572 CG PHE A 34 2.386 -4.595 -15.571 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.898 -4.548 -14.274 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.298 -3.456 -16.357 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.335 -3.390 -13.772 1.00 0.00 C ATOM 576 CE2 PHE A 34 1.737 -2.296 -15.860 1.00 0.00 C ATOM 577 CZ PHE A 34 1.255 -2.262 -14.566 1.00 0.00 C ATOM 0 H PHE A 34 5.057 -4.635 -17.124 1.00 0.00 H new ATOM 0 HA PHE A 34 4.520 -6.094 -14.616 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.935 -5.841 -17.203 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.415 -6.711 -15.773 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.959 -5.427 -13.649 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.673 -3.476 -17.370 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.958 -3.367 -12.760 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.675 -1.416 -16.483 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.816 -1.356 -14.176 1.00 0.00 H new ATOM 587 N ASN A 35 6.220 -7.324 -16.768 1.00 0.00 N ATOM 588 CA ASN A 35 6.867 -8.496 -17.349 1.00 0.00 C ATOM 589 C ASN A 35 7.336 -9.443 -16.239 1.00 0.00 C ATOM 590 O ASN A 35 7.395 -9.053 -15.072 1.00 0.00 O ATOM 591 CB ASN A 35 8.039 -8.035 -18.226 1.00 0.00 C ATOM 592 CG ASN A 35 8.761 -9.162 -18.938 1.00 0.00 C ATOM 593 OD1 ASN A 35 8.172 -10.192 -19.268 1.00 0.00 O ATOM 594 ND2 ASN A 35 10.042 -8.957 -19.192 1.00 0.00 N ATOM 0 H ASN A 35 6.793 -6.480 -16.784 1.00 0.00 H new ATOM 0 HA ASN A 35 6.160 -9.044 -17.971 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.667 -7.330 -18.969 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.754 -7.496 -17.604 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.585 -9.669 -19.681 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.487 -8.087 -18.899 1.00 0.00 H new ATOM 601 N SER A 36 7.626 -10.694 -16.609 1.00 0.00 N ATOM 602 CA SER A 36 8.054 -11.734 -15.663 1.00 0.00 C ATOM 603 C SER A 36 6.917 -12.154 -14.725 1.00 0.00 C ATOM 604 O SER A 36 7.082 -13.081 -13.930 1.00 0.00 O ATOM 605 CB SER A 36 9.275 -11.272 -14.856 1.00 0.00 C ATOM 606 OG SER A 36 10.395 -11.044 -15.701 1.00 0.00 O ATOM 0 H SER A 36 7.571 -11.017 -17.575 1.00 0.00 H new ATOM 0 HA SER A 36 8.336 -12.608 -16.251 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.032 -10.357 -14.316 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.527 -12.025 -14.110 1.00 0.00 H new ATOM 0 HG SER A 36 11.158 -10.749 -15.161 1.00 0.00 H new ATOM 612 N THR A 37 5.771 -11.473 -14.852 1.00 0.00 N ATOM 613 CA THR A 37 4.567 -11.723 -14.052 1.00 0.00 C ATOM 614 C THR A 37 4.893 -12.109 -12.600 1.00 0.00 C ATOM 615 O THR A 37 4.710 -13.249 -12.168 1.00 0.00 O ATOM 616 CB THR A 37 3.618 -12.756 -14.726 1.00 0.00 C ATOM 617 OG1 THR A 37 2.438 -12.940 -13.931 1.00 0.00 O ATOM 618 CG2 THR A 37 4.294 -14.104 -14.965 1.00 0.00 C ATOM 0 H THR A 37 5.653 -10.718 -15.528 1.00 0.00 H new ATOM 0 HA THR A 37 4.029 -10.776 -14.009 1.00 0.00 H new ATOM 0 HB THR A 37 3.348 -12.349 -15.700 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.849 -13.591 -14.366 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.587 -14.787 -15.437 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.157 -13.968 -15.616 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.621 -14.521 -14.012 1.00 0.00 H new ATOM 626 N GLN A 38 5.409 -11.141 -11.859 1.00 0.00 N ATOM 627 CA GLN A 38 5.751 -11.339 -10.460 1.00 0.00 C ATOM 628 C GLN A 38 4.803 -10.545 -9.575 1.00 0.00 C ATOM 629 O GLN A 38 4.413 -9.436 -9.928 1.00 0.00 O ATOM 630 CB GLN A 38 7.193 -10.905 -10.203 1.00 0.00 C ATOM 631 CG GLN A 38 8.230 -11.883 -10.721 1.00 0.00 C ATOM 632 CD GLN A 38 9.619 -11.282 -10.773 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.779 -10.085 -11.012 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.626 -12.095 -10.508 1.00 0.00 N ATOM 0 H GLN A 38 5.601 -10.202 -12.208 1.00 0.00 H new ATOM 0 HA GLN A 38 5.655 -12.398 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.359 -9.934 -10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.337 -10.772 -9.131 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.243 -12.766 -10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.944 -12.216 -11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.448 -13.081 -10.315 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.581 -11.737 -10.496 1.00 0.00 H new ATOM 643 N PRO A 39 4.434 -11.092 -8.408 1.00 0.00 N ATOM 644 CA PRO A 39 3.496 -10.439 -7.490 1.00 0.00 C ATOM 645 C PRO A 39 4.014 -9.092 -6.992 1.00 0.00 C ATOM 646 O PRO A 39 3.234 -8.195 -6.683 1.00 0.00 O ATOM 647 CB PRO A 39 3.371 -11.428 -6.325 1.00 0.00 C ATOM 648 CG PRO A 39 4.573 -12.305 -6.427 1.00 0.00 C ATOM 649 CD PRO A 39 4.894 -12.392 -7.891 1.00 0.00 C ATOM 0 HA PRO A 39 2.546 -10.219 -7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.343 -10.908 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.452 -12.009 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.410 -11.887 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.373 -13.293 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.960 -12.540 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.376 -13.223 -8.369 1.00 0.00 H new ATOM 657 N PHE A 40 5.335 -8.961 -6.925 1.00 0.00 N ATOM 658 CA PHE A 40 5.963 -7.728 -6.459 1.00 0.00 C ATOM 659 C PHE A 40 6.820 -7.103 -7.555 1.00 0.00 C ATOM 660 O PHE A 40 7.397 -6.036 -7.359 1.00 0.00 O ATOM 661 CB PHE A 40 6.834 -8.002 -5.230 1.00 0.00 C ATOM 662 CG PHE A 40 6.089 -8.586 -4.064 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.432 -7.766 -3.163 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.056 -9.957 -3.865 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.758 -8.301 -2.084 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.381 -10.498 -2.789 1.00 0.00 C ATOM 667 CZ PHE A 40 4.731 -9.670 -1.897 1.00 0.00 C ATOM 0 H PHE A 40 5.993 -9.695 -7.188 1.00 0.00 H new ATOM 0 HA PHE A 40 5.168 -7.032 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.636 -8.684 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.303 -7.070 -4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.447 -6.696 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.564 -10.610 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.252 -7.650 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.362 -11.568 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.202 -10.091 -1.055 1.00 0.00 H new ATOM 677 N PHE A 41 6.882 -7.779 -8.705 1.00 0.00 N ATOM 678 CA PHE A 41 7.730 -7.361 -9.829 1.00 0.00 C ATOM 679 C PHE A 41 9.147 -7.030 -9.362 1.00 0.00 C ATOM 680 O PHE A 41 9.516 -5.866 -9.204 1.00 0.00 O ATOM 681 CB PHE A 41 7.104 -6.177 -10.569 1.00 0.00 C ATOM 682 CG PHE A 41 5.740 -6.484 -11.119 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.595 -7.306 -12.226 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.603 -5.963 -10.521 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.341 -7.600 -12.726 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.348 -6.252 -11.020 1.00 0.00 C ATOM 687 CZ PHE A 41 3.216 -7.072 -12.123 1.00 0.00 C ATOM 0 H PHE A 41 6.348 -8.629 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 41 7.800 -8.197 -10.525 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.033 -5.327 -9.890 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.760 -5.878 -11.386 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.471 -7.721 -12.702 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.700 -5.324 -9.656 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.240 -8.243 -13.588 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.470 -5.837 -10.548 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.235 -7.300 -12.513 1.00 0.00 H new ATOM 697 N MET A 42 9.937 -8.072 -9.155 1.00 0.00 N ATOM 698 CA MET A 42 11.251 -7.939 -8.543 1.00 0.00 C ATOM 699 C MET A 42 12.338 -7.796 -9.604 1.00 0.00 C ATOM 700 O MET A 42 13.419 -7.266 -9.336 1.00 0.00 O ATOM 701 CB MET A 42 11.534 -9.164 -7.668 1.00 0.00 C ATOM 702 CG MET A 42 10.436 -9.456 -6.655 1.00 0.00 C ATOM 703 SD MET A 42 10.671 -11.030 -5.808 1.00 0.00 S ATOM 704 CE MET A 42 9.196 -11.103 -4.795 1.00 0.00 C ATOM 0 H MET A 42 9.688 -9.029 -9.405 1.00 0.00 H new ATOM 0 HA MET A 42 11.257 -7.039 -7.928 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.666 -10.035 -8.309 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.475 -9.012 -7.138 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.404 -8.653 -5.919 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.471 -9.462 -7.162 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.346 -11.817 -3.986 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.993 -10.117 -4.376 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.350 -11.419 -5.406 1.00 0.00 H new ATOM 714 N ASP A 43 12.053 -8.284 -10.805 1.00 0.00 N ATOM 715 CA ASP A 43 13.011 -8.223 -11.904 1.00 0.00 C ATOM 716 C ASP A 43 12.802 -6.982 -12.758 1.00 0.00 C ATOM 717 O ASP A 43 13.754 -6.278 -13.087 1.00 0.00 O ATOM 718 CB ASP A 43 12.912 -9.472 -12.784 1.00 0.00 C ATOM 719 CG ASP A 43 13.663 -10.653 -12.211 1.00 0.00 C ATOM 720 OD1 ASP A 43 14.892 -10.736 -12.422 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.030 -11.511 -11.563 1.00 0.00 O ATOM 0 H ASP A 43 11.166 -8.727 -11.044 1.00 0.00 H new ATOM 0 HA ASP A 43 14.005 -8.175 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.863 -9.740 -12.909 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.304 -9.244 -13.775 1.00 0.00 H new ATOM 726 N THR A 44 11.556 -6.713 -13.107 1.00 0.00 N ATOM 727 CA THR A 44 11.234 -5.615 -14.001 1.00 0.00 C ATOM 728 C THR A 44 11.432 -4.260 -13.333 1.00 0.00 C ATOM 729 O THR A 44 11.856 -3.295 -13.974 1.00 0.00 O ATOM 730 CB THR A 44 9.790 -5.737 -14.499 1.00 0.00 C ATOM 731 OG1 THR A 44 8.905 -5.948 -13.388 1.00 0.00 O ATOM 732 CG2 THR A 44 9.668 -6.888 -15.475 1.00 0.00 C ATOM 0 H THR A 44 10.747 -7.243 -12.783 1.00 0.00 H new ATOM 0 HA THR A 44 11.919 -5.677 -14.847 1.00 0.00 H new ATOM 0 HB THR A 44 9.516 -4.812 -15.006 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.022 -5.580 -13.599 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.637 -6.964 -15.821 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.325 -6.714 -16.327 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.954 -7.816 -14.980 1.00 0.00 H new ATOM 740 N MET A 45 11.132 -4.193 -12.049 1.00 0.00 N ATOM 741 CA MET A 45 11.246 -2.953 -11.303 1.00 0.00 C ATOM 742 C MET A 45 11.952 -3.217 -9.987 1.00 0.00 C ATOM 743 O MET A 45 12.286 -4.362 -9.678 1.00 0.00 O ATOM 744 CB MET A 45 9.855 -2.363 -11.042 1.00 0.00 C ATOM 745 CG MET A 45 9.015 -2.199 -12.299 1.00 0.00 C ATOM 746 SD MET A 45 7.398 -1.464 -11.977 1.00 0.00 S ATOM 747 CE MET A 45 6.730 -2.619 -10.782 1.00 0.00 C ATOM 0 H MET A 45 10.806 -4.987 -11.498 1.00 0.00 H new ATOM 0 HA MET A 45 11.825 -2.237 -11.886 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.323 -3.006 -10.341 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.967 -1.391 -10.561 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.556 -1.576 -13.012 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.878 -3.174 -12.767 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.794 -3.031 -11.158 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.443 -3.427 -10.619 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.546 -2.102 -9.840 1.00 0.00 H new ATOM 757 N GLU A 46 12.207 -2.168 -9.229 1.00 0.00 N ATOM 758 CA GLU A 46 12.728 -2.324 -7.885 1.00 0.00 C ATOM 759 C GLU A 46 11.560 -2.477 -6.919 1.00 0.00 C ATOM 760 O GLU A 46 10.494 -1.911 -7.152 1.00 0.00 O ATOM 761 CB GLU A 46 13.602 -1.129 -7.500 1.00 0.00 C ATOM 762 CG GLU A 46 14.824 -0.962 -8.389 1.00 0.00 C ATOM 763 CD GLU A 46 15.773 0.103 -7.884 1.00 0.00 C ATOM 764 OE1 GLU A 46 16.607 -0.207 -7.007 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.692 1.256 -8.362 1.00 0.00 O ATOM 0 H GLU A 46 12.062 -1.201 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 46 13.355 -3.215 -7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.002 -0.220 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.927 -1.245 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.353 -1.913 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.502 -0.706 -9.398 1.00 0.00 H new ATOM 772 N PRO A 47 11.738 -3.244 -5.831 1.00 0.00 N ATOM 773 CA PRO A 47 10.660 -3.537 -4.875 1.00 0.00 C ATOM 774 C PRO A 47 9.944 -2.286 -4.362 1.00 0.00 C ATOM 775 O PRO A 47 8.762 -2.334 -4.025 1.00 0.00 O ATOM 776 CB PRO A 47 11.388 -4.243 -3.730 1.00 0.00 C ATOM 777 CG PRO A 47 12.586 -4.855 -4.367 1.00 0.00 C ATOM 778 CD PRO A 47 13.002 -3.904 -5.454 1.00 0.00 C ATOM 0 HA PRO A 47 9.870 -4.129 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.671 -3.540 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.756 -5.000 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.387 -4.994 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.352 -5.838 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.740 -3.185 -5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.449 -4.429 -6.298 1.00 0.00 H new ATOM 786 N LEU A 48 10.656 -1.167 -4.315 1.00 0.00 N ATOM 787 CA LEU A 48 10.082 0.090 -3.839 1.00 0.00 C ATOM 788 C LEU A 48 9.094 0.660 -4.857 1.00 0.00 C ATOM 789 O LEU A 48 8.137 1.345 -4.497 1.00 0.00 O ATOM 790 CB LEU A 48 11.194 1.106 -3.562 1.00 0.00 C ATOM 791 CG LEU A 48 10.728 2.461 -3.023 1.00 0.00 C ATOM 792 CD1 LEU A 48 10.056 2.298 -1.667 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.898 3.429 -2.929 1.00 0.00 C ATOM 0 H LEU A 48 11.633 -1.102 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 48 9.542 -0.111 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.891 0.670 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.748 1.273 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 48 9.997 2.873 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.732 3.273 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.191 1.642 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.763 1.862 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.548 4.387 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.654 3.022 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.332 3.573 -3.919 1.00 0.00 H new ATOM 805 N GLU A 49 9.314 0.346 -6.127 1.00 0.00 N ATOM 806 CA GLU A 49 8.497 0.886 -7.206 1.00 0.00 C ATOM 807 C GLU A 49 7.166 0.152 -7.310 1.00 0.00 C ATOM 808 O GLU A 49 6.242 0.620 -7.970 1.00 0.00 O ATOM 809 CB GLU A 49 9.239 0.787 -8.537 1.00 0.00 C ATOM 810 CG GLU A 49 10.575 1.510 -8.557 1.00 0.00 C ATOM 811 CD GLU A 49 11.245 1.417 -9.910 1.00 0.00 C ATOM 812 OE1 GLU A 49 11.928 0.409 -10.172 1.00 0.00 O ATOM 813 OE2 GLU A 49 11.067 2.344 -10.732 1.00 0.00 O ATOM 0 H GLU A 49 10.055 -0.283 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 49 8.299 1.933 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.403 -0.265 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.606 1.194 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.425 2.558 -8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.230 1.084 -7.797 1.00 0.00 H new ATOM 820 N TRP A 50 7.074 -0.998 -6.654 1.00 0.00 N ATOM 821 CA TRP A 50 5.864 -1.813 -6.684 1.00 0.00 C ATOM 822 C TRP A 50 4.677 -1.050 -6.095 1.00 0.00 C ATOM 823 O TRP A 50 3.534 -1.202 -6.540 1.00 0.00 O ATOM 824 CB TRP A 50 6.098 -3.117 -5.919 1.00 0.00 C ATOM 825 CG TRP A 50 4.904 -4.017 -5.892 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.331 -4.651 -6.955 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.139 -4.386 -4.742 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.256 -5.391 -6.534 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.116 -5.243 -5.181 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.219 -4.070 -3.385 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.181 -5.794 -4.308 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.292 -4.615 -2.520 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.284 -5.467 -2.984 1.00 0.00 C ATOM 0 H TRP A 50 7.828 -1.390 -6.091 1.00 0.00 H new ATOM 0 HA TRP A 50 5.628 -2.048 -7.722 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.934 -3.650 -6.372 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.388 -2.881 -4.895 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.673 -4.581 -7.977 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.657 -5.960 -7.133 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.992 -3.411 -3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.404 -6.455 -4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.346 -4.380 -1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.572 -5.875 -2.282 1.00 0.00 H new ATOM 844 N LEU A 51 4.960 -0.211 -5.104 1.00 0.00 N ATOM 845 CA LEU A 51 3.939 0.628 -4.488 1.00 0.00 C ATOM 846 C LEU A 51 3.383 1.617 -5.507 1.00 0.00 C ATOM 847 O LEU A 51 2.214 2.003 -5.454 1.00 0.00 O ATOM 848 CB LEU A 51 4.532 1.409 -3.309 1.00 0.00 C ATOM 849 CG LEU A 51 5.165 0.568 -2.200 1.00 0.00 C ATOM 850 CD1 LEU A 51 5.864 1.462 -1.189 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.113 -0.284 -1.508 1.00 0.00 C ATOM 0 H LEU A 51 5.893 -0.094 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 51 3.137 -0.018 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.287 2.093 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.743 2.020 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 51 5.904 -0.093 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.309 0.848 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.645 2.035 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.140 2.146 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.583 -0.875 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.352 0.362 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.649 -0.950 -2.235 1.00 0.00 H new ATOM 863 N GLN A 52 4.225 1.992 -6.456 1.00 0.00 N ATOM 864 CA GLN A 52 3.928 3.084 -7.362 1.00 0.00 C ATOM 865 C GLN A 52 3.332 2.579 -8.667 1.00 0.00 C ATOM 866 O GLN A 52 3.997 1.894 -9.444 1.00 0.00 O ATOM 867 CB GLN A 52 5.200 3.874 -7.646 1.00 0.00 C ATOM 868 CG GLN A 52 6.005 4.177 -6.395 1.00 0.00 C ATOM 869 CD GLN A 52 7.230 5.010 -6.682 1.00 0.00 C ATOM 870 OE1 GLN A 52 7.794 4.955 -7.771 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.655 5.782 -5.701 1.00 0.00 N ATOM 0 H GLN A 52 5.129 1.549 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 52 3.191 3.729 -6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.821 3.312 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.937 4.811 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.373 4.702 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.308 3.241 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.156 5.797 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.483 6.364 -5.832 1.00 0.00 H new ATOM 880 N TRP A 53 2.066 2.918 -8.882 1.00 0.00 N ATOM 881 CA TRP A 53 1.359 2.619 -10.127 1.00 0.00 C ATOM 882 C TRP A 53 1.045 1.133 -10.284 1.00 0.00 C ATOM 883 O TRP A 53 0.478 0.722 -11.295 1.00 0.00 O ATOM 884 CB TRP A 53 2.127 3.150 -11.339 1.00 0.00 C ATOM 885 CG TRP A 53 2.122 4.645 -11.412 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.117 5.490 -11.017 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.059 5.472 -11.896 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.738 6.793 -11.231 1.00 0.00 N ATOM 889 CE2 TRP A 53 1.481 6.808 -11.771 1.00 0.00 C ATOM 890 CE3 TRP A 53 -0.207 5.214 -12.429 1.00 0.00 C ATOM 891 CZ2 TRP A 53 0.682 7.879 -12.155 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -1.000 6.278 -12.809 1.00 0.00 C ATOM 893 CH2 TRP A 53 -0.553 7.596 -12.672 1.00 0.00 C ATOM 0 H TRP A 53 1.496 3.411 -8.195 1.00 0.00 H new ATOM 0 HA TRP A 53 0.401 3.137 -10.073 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.157 2.795 -11.296 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.687 2.744 -12.250 1.00 0.00 H new ATOM 0 HD1 TRP A 53 4.063 5.181 -10.598 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.303 7.616 -11.021 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.559 4.199 -12.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.024 8.898 -12.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.981 6.090 -13.219 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.196 8.407 -12.981 1.00 0.00 H new ATOM 904 N VAL A 54 1.395 0.327 -9.292 1.00 0.00 N ATOM 905 CA VAL A 54 0.920 -1.044 -9.261 1.00 0.00 C ATOM 906 C VAL A 54 0.056 -1.283 -8.036 1.00 0.00 C ATOM 907 O VAL A 54 -1.158 -1.358 -8.153 1.00 0.00 O ATOM 908 CB VAL A 54 2.038 -2.100 -9.289 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.411 -3.490 -9.369 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.986 -1.862 -10.457 1.00 0.00 C ATOM 0 H VAL A 54 1.995 0.594 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 54 0.341 -1.164 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 54 2.626 -2.023 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.198 -4.244 -9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.775 -3.653 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.812 -3.567 -10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.767 -2.623 -10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.431 -1.917 -11.393 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.440 -0.876 -10.362 1.00 0.00 H new ATOM 920 N LEU A 55 0.678 -1.377 -6.860 1.00 0.00 N ATOM 921 CA LEU A 55 -0.051 -1.724 -5.642 1.00 0.00 C ATOM 922 C LEU A 55 -1.230 -0.786 -5.397 1.00 0.00 C ATOM 923 O LEU A 55 -2.364 -1.238 -5.277 1.00 0.00 O ATOM 924 CB LEU A 55 0.867 -1.721 -4.418 1.00 0.00 C ATOM 925 CG LEU A 55 0.168 -2.077 -3.101 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.423 -3.475 -3.167 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.130 -1.959 -1.932 1.00 0.00 C ATOM 0 H LEU A 55 1.677 -1.219 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.437 -2.732 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.679 -2.428 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.319 -0.734 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.646 -1.368 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.914 -3.707 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.151 -3.524 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.372 -4.198 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.613 -2.216 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.968 -2.640 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.501 -0.936 -1.868 1.00 0.00 H new ATOM 939 N ILE A 56 -0.962 0.513 -5.333 1.00 0.00 N ATOM 940 CA ILE A 56 -2.011 1.487 -5.043 1.00 0.00 C ATOM 941 C ILE A 56 -3.156 1.424 -6.073 1.00 0.00 C ATOM 942 O ILE A 56 -4.310 1.237 -5.685 1.00 0.00 O ATOM 943 CB ILE A 56 -1.446 2.926 -4.916 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.479 3.002 -3.730 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.574 3.935 -4.748 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.181 4.355 -3.564 1.00 0.00 C ATOM 0 H ILE A 56 -0.036 0.915 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.430 1.216 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.906 3.172 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.020 2.758 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.294 2.244 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.155 4.938 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.233 3.891 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.142 3.699 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.851 4.330 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.751 4.594 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.583 5.116 -3.407 1.00 0.00 H new ATOM 958 N PRO A 57 -2.883 1.561 -7.394 1.00 0.00 N ATOM 959 CA PRO A 57 -3.932 1.443 -8.421 1.00 0.00 C ATOM 960 C PRO A 57 -4.604 0.069 -8.426 1.00 0.00 C ATOM 961 O PRO A 57 -5.818 -0.030 -8.595 1.00 0.00 O ATOM 962 CB PRO A 57 -3.186 1.670 -9.740 1.00 0.00 C ATOM 963 CG PRO A 57 -1.957 2.404 -9.351 1.00 0.00 C ATOM 964 CD PRO A 57 -1.576 1.863 -8.004 1.00 0.00 C ATOM 0 HA PRO A 57 -4.739 2.154 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.946 0.725 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.788 2.247 -10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.159 2.246 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.139 3.478 -9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.953 0.973 -8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.015 2.592 -7.419 1.00 0.00 H new ATOM 972 N ARG A 58 -3.819 -0.989 -8.224 1.00 0.00 N ATOM 973 CA ARG A 58 -4.359 -2.343 -8.230 1.00 0.00 C ATOM 974 C ARG A 58 -5.304 -2.533 -7.047 1.00 0.00 C ATOM 975 O ARG A 58 -6.320 -3.218 -7.152 1.00 0.00 O ATOM 976 CB ARG A 58 -3.246 -3.391 -8.191 1.00 0.00 C ATOM 977 CG ARG A 58 -3.706 -4.762 -8.658 1.00 0.00 C ATOM 978 CD ARG A 58 -2.541 -5.718 -8.839 1.00 0.00 C ATOM 979 NE ARG A 58 -2.947 -6.934 -9.539 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.108 -7.889 -9.936 1.00 0.00 C ATOM 981 NH1 ARG A 58 -0.808 -7.784 -9.691 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.574 -8.947 -10.585 1.00 0.00 N ATOM 0 H ARG A 58 -2.815 -0.933 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.912 -2.480 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.419 -3.058 -8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.863 -3.469 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.407 -5.176 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.244 -4.663 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.747 -5.223 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.129 -5.979 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.940 -7.060 -9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.447 -6.969 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.170 -8.519 -9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.572 -9.028 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.934 -9.680 -10.891 1.00 0.00 H new ATOM 996 N MET A 59 -4.964 -1.907 -5.922 1.00 0.00 N ATOM 997 CA MET A 59 -5.818 -1.935 -4.743 1.00 0.00 C ATOM 998 C MET A 59 -7.077 -1.115 -4.972 1.00 0.00 C ATOM 999 O MET A 59 -8.136 -1.458 -4.469 1.00 0.00 O ATOM 1000 CB MET A 59 -5.077 -1.426 -3.505 1.00 0.00 C ATOM 1001 CG MET A 59 -4.111 -2.437 -2.911 1.00 0.00 C ATOM 1002 SD MET A 59 -4.945 -3.932 -2.348 1.00 0.00 S ATOM 1003 CE MET A 59 -3.567 -4.867 -1.691 1.00 0.00 C ATOM 0 H MET A 59 -4.102 -1.375 -5.805 1.00 0.00 H new ATOM 0 HA MET A 59 -6.100 -2.973 -4.567 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.527 -0.523 -3.768 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.807 -1.145 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.361 -2.701 -3.657 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.582 -1.982 -2.074 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.926 -5.821 -1.304 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.839 -5.047 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.096 -4.303 -0.886 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.965 -0.034 -5.738 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.142 0.740 -6.132 1.00 0.00 C ATOM 1015 C HIS A 60 -9.109 -0.148 -6.899 1.00 0.00 C ATOM 1016 O HIS A 60 -10.318 -0.116 -6.672 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.758 1.946 -6.993 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.385 3.166 -6.210 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.301 4.122 -5.836 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.191 3.593 -5.744 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.687 5.084 -5.176 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.402 4.790 -5.105 1.00 0.00 N ATOM 0 H HIS A 60 -6.080 0.325 -6.097 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.619 1.110 -5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.920 1.669 -7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.593 2.191 -7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.244 3.086 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.156 5.965 -4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.686 5.357 -4.651 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.557 -0.957 -7.797 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.342 -1.916 -8.564 1.00 0.00 C ATOM 1033 C ASP A 61 -9.927 -2.984 -7.643 1.00 0.00 C ATOM 1034 O ASP A 61 -11.087 -3.375 -7.782 1.00 0.00 O ATOM 1035 CB ASP A 61 -8.469 -2.564 -9.643 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.200 -3.630 -10.435 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.185 -3.295 -11.122 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -8.780 -4.804 -10.380 1.00 0.00 O ATOM 0 H ASP A 61 -7.560 -0.967 -8.012 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.165 -1.389 -9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.112 -1.793 -10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.590 -3.006 -9.174 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.120 -3.436 -6.690 1.00 0.00 N ATOM 1044 CA LEU A 62 -9.557 -4.430 -5.716 1.00 0.00 C ATOM 1045 C LEU A 62 -10.663 -3.867 -4.824 1.00 0.00 C ATOM 1046 O LEU A 62 -11.613 -4.565 -4.490 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.380 -4.892 -4.851 1.00 0.00 C ATOM 1048 CG LEU A 62 -8.719 -5.975 -3.824 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.086 -7.278 -4.519 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -7.559 -6.189 -2.867 1.00 0.00 C ATOM 0 H LEU A 62 -8.155 -3.128 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.950 -5.285 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.593 -5.266 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.974 -4.028 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.581 -5.639 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.323 -8.035 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.953 -7.117 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.245 -7.617 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.821 -6.963 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.677 -6.499 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.345 -5.259 -2.340 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.529 -2.604 -4.443 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.514 -1.944 -3.593 1.00 0.00 C ATOM 1064 C LEU A 63 -12.790 -1.645 -4.367 1.00 0.00 C ATOM 1065 O LEU A 63 -13.880 -1.645 -3.796 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.939 -0.656 -3.005 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.748 -0.852 -2.066 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.212 0.490 -1.604 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.142 -1.711 -0.876 1.00 0.00 C ATOM 0 H LEU A 63 -9.743 -2.012 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.760 -2.623 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.634 -0.005 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.729 -0.137 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.958 -1.368 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.365 0.333 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.890 1.070 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.996 1.032 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.282 -1.839 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.948 -1.224 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.479 -2.686 -1.227 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.651 -1.385 -5.663 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.810 -1.232 -6.536 1.00 0.00 C ATOM 1083 C ASP A 64 -14.563 -2.549 -6.626 1.00 0.00 C ATOM 1084 O ASP A 64 -15.783 -2.592 -6.465 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.395 -0.780 -7.935 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.528 -0.917 -8.933 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.433 -0.056 -8.938 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.525 -1.899 -9.705 1.00 0.00 O ATOM 0 H ASP A 64 -11.751 -1.276 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.457 -0.466 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.067 0.259 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.543 -1.372 -8.270 1.00 0.00 H new ATOM 1093 N ASN A 65 -13.819 -3.622 -6.869 1.00 0.00 N ATOM 1094 CA ASN A 65 -14.381 -4.969 -6.853 1.00 0.00 C ATOM 1095 C ASN A 65 -14.832 -5.318 -5.440 1.00 0.00 C ATOM 1096 O ASN A 65 -15.639 -6.224 -5.234 1.00 0.00 O ATOM 1097 CB ASN A 65 -13.348 -5.994 -7.340 1.00 0.00 C ATOM 1098 CG ASN A 65 -13.168 -6.007 -8.852 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -12.793 -7.029 -9.429 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.431 -4.886 -9.508 1.00 0.00 N ATOM 0 H ASN A 65 -12.822 -3.586 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.238 -4.998 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.388 -5.781 -6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.651 -6.988 -7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.325 -4.851 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.740 -4.058 -8.999 1.00 0.00 H new ATOM 1107 N LYS A 66 -14.284 -4.571 -4.479 1.00 0.00 N ATOM 1108 CA LYS A 66 -14.617 -4.682 -3.064 1.00 0.00 C ATOM 1109 C LYS A 66 -14.005 -5.938 -2.461 1.00 0.00 C ATOM 1110 O LYS A 66 -12.989 -5.851 -1.768 1.00 0.00 O ATOM 1111 CB LYS A 66 -16.134 -4.598 -2.856 1.00 0.00 C ATOM 1112 CG LYS A 66 -16.698 -3.275 -3.356 1.00 0.00 C ATOM 1113 CD LYS A 66 -18.214 -3.264 -3.415 1.00 0.00 C ATOM 1114 CE LYS A 66 -18.723 -1.990 -4.079 1.00 0.00 C ATOM 1115 NZ LYS A 66 -18.248 -1.864 -5.486 1.00 0.00 N ATOM 0 H LYS A 66 -13.581 -3.857 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.181 -3.837 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.619 -5.422 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.363 -4.714 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.359 -2.471 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.299 -3.068 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.567 -4.134 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.622 -3.342 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.813 -1.984 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.390 -1.125 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.603 -0.976 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.208 -1.861 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.601 -2.667 -6.045 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.607 -7.088 -2.736 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.050 -8.384 -2.339 1.00 0.00 C ATOM 1131 C GLN A 67 -13.987 -8.541 -0.812 1.00 0.00 C ATOM 1132 O GLN A 67 -14.109 -7.566 -0.066 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.644 -8.554 -2.940 1.00 0.00 C ATOM 1134 CG GLN A 67 -12.601 -8.379 -4.451 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.328 -9.481 -5.192 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.534 -9.402 -5.421 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -12.597 -10.511 -5.583 1.00 0.00 N ATOM 0 H GLN A 67 -15.492 -7.154 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.713 -9.159 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.972 -7.830 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.267 -9.545 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.044 -7.418 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.562 -8.351 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.599 -10.537 -5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.031 -11.279 -6.095 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.808 -9.780 -0.325 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.597 -10.046 1.100 1.00 0.00 C ATOM 1148 C PRO A 68 -12.191 -9.646 1.547 1.00 0.00 C ATOM 1149 O PRO A 68 -11.861 -9.732 2.728 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.785 -11.567 1.227 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.309 -12.027 -0.094 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.834 -11.024 -1.103 1.00 0.00 C ATOM 0 HA PRO A 68 -14.282 -9.474 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.842 -12.058 1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.482 -11.809 2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.941 -13.025 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.397 -12.083 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.849 -11.278 -1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.509 -10.955 -1.956 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.375 -9.222 0.573 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.004 -8.758 0.809 1.00 0.00 C ATOM 1162 C LEU A 69 -9.067 -9.911 1.172 1.00 0.00 C ATOM 1163 O LEU A 69 -9.483 -10.913 1.754 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.961 -7.679 1.902 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.703 -6.383 1.570 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.611 -5.406 2.731 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.144 -5.757 0.300 1.00 0.00 C ATOM 0 H LEU A 69 -11.651 -9.192 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.655 -8.321 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.382 -8.095 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.919 -7.438 2.111 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.753 -6.621 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.144 -4.489 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.058 -5.853 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.565 -5.174 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.684 -4.836 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.087 -5.533 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.260 -6.453 -0.531 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.785 -9.798 0.790 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.769 -10.774 1.172 1.00 0.00 C ATOM 1181 C PRO A 70 -6.446 -10.686 2.660 1.00 0.00 C ATOM 1182 O PRO A 70 -5.749 -9.773 3.107 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.555 -10.390 0.320 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.749 -8.948 -0.004 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.236 -8.720 -0.053 1.00 0.00 C ATOM 0 HA PRO A 70 -7.093 -11.801 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.625 -10.550 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.502 -10.994 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.284 -8.314 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.286 -8.699 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.503 -7.736 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.616 -8.777 -1.073 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.958 -11.642 3.424 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.825 -11.599 4.870 1.00 0.00 C ATOM 1195 C GLY A 71 -5.462 -12.045 5.359 1.00 0.00 C ATOM 1196 O GLY A 71 -5.264 -12.254 6.557 1.00 0.00 O ATOM 0 H GLY A 71 -7.466 -12.451 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.013 -10.582 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.590 -12.234 5.318 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.522 -12.191 4.436 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.167 -12.589 4.777 1.00 0.00 C ATOM 1202 C ALA A 72 -2.161 -11.728 4.026 1.00 0.00 C ATOM 1203 O ALA A 72 -1.030 -12.146 3.770 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.955 -14.062 4.460 1.00 0.00 C ATOM 0 H ALA A 72 -4.676 -12.038 3.439 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.016 -12.442 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.936 -14.347 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.658 -14.663 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.119 -14.232 3.396 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.578 -10.517 3.683 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.734 -9.605 2.927 1.00 0.00 C ATOM 1212 C PHE A 73 -0.861 -8.779 3.863 1.00 0.00 C ATOM 1213 O PHE A 73 -1.331 -7.835 4.496 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.592 -8.684 2.054 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.796 -7.840 1.098 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.390 -8.356 -0.124 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.453 -6.536 1.417 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.658 -7.586 -1.007 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.722 -5.762 0.537 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.324 -6.288 -0.677 1.00 0.00 C ATOM 0 H PHE A 73 -3.498 -10.144 3.917 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.085 -10.196 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.298 -9.290 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.179 -8.030 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.649 -9.371 -0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.761 -6.120 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.347 -7.999 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.462 -4.747 0.798 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.248 -5.685 -1.367 1.00 0.00 H new ATOM 1230 N ALA A 74 0.408 -9.146 3.947 1.00 0.00 N ATOM 1231 CA ALA A 74 1.358 -8.440 4.791 1.00 0.00 C ATOM 1232 C ALA A 74 2.680 -8.260 4.062 1.00 0.00 C ATOM 1233 O ALA A 74 3.448 -9.211 3.896 1.00 0.00 O ATOM 1234 CB ALA A 74 1.568 -9.184 6.099 1.00 0.00 C ATOM 0 H ALA A 74 0.806 -9.935 3.437 1.00 0.00 H new ATOM 0 HA ALA A 74 0.951 -7.455 5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.282 -8.640 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.618 -9.265 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.954 -10.182 5.892 1.00 0.00 H new ATOM 1240 N VAL A 75 2.944 -7.039 3.627 1.00 0.00 N ATOM 1241 CA VAL A 75 4.134 -6.750 2.841 1.00 0.00 C ATOM 1242 C VAL A 75 5.207 -6.067 3.678 1.00 0.00 C ATOM 1243 O VAL A 75 6.313 -5.822 3.199 1.00 0.00 O ATOM 1244 CB VAL A 75 3.810 -5.876 1.613 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.962 -6.649 0.618 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.108 -4.591 2.032 1.00 0.00 C ATOM 0 H VAL A 75 2.349 -6.230 3.805 1.00 0.00 H new ATOM 0 HA VAL A 75 4.514 -7.711 2.496 1.00 0.00 H new ATOM 0 HB VAL A 75 4.749 -5.607 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.743 -6.016 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.505 -7.535 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.029 -6.951 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.890 -3.991 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.177 -4.835 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.754 -4.026 2.704 1.00 0.00 H new ATOM 1256 N ALA A 76 4.882 -5.770 4.932 1.00 0.00 N ATOM 1257 CA ALA A 76 5.844 -5.163 5.845 1.00 0.00 C ATOM 1258 C ALA A 76 7.111 -6.022 5.992 1.00 0.00 C ATOM 1259 O ALA A 76 8.216 -5.501 5.849 1.00 0.00 O ATOM 1260 CB ALA A 76 5.208 -4.880 7.201 1.00 0.00 C ATOM 0 H ALA A 76 3.962 -5.939 5.339 1.00 0.00 H new ATOM 0 HA ALA A 76 6.149 -4.211 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.947 -4.428 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.369 -4.196 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.853 -5.813 7.638 1.00 0.00 H new ATOM 1266 N PRO A 77 6.993 -7.350 6.257 1.00 0.00 N ATOM 1267 CA PRO A 77 8.166 -8.233 6.344 1.00 0.00 C ATOM 1268 C PRO A 77 8.934 -8.308 5.025 1.00 0.00 C ATOM 1269 O PRO A 77 10.126 -8.611 5.004 1.00 0.00 O ATOM 1270 CB PRO A 77 7.577 -9.605 6.691 1.00 0.00 C ATOM 1271 CG PRO A 77 6.223 -9.320 7.237 1.00 0.00 C ATOM 1272 CD PRO A 77 5.744 -8.094 6.517 1.00 0.00 C ATOM 0 HA PRO A 77 8.884 -7.870 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.520 -10.244 5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.195 -10.126 7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.549 -10.160 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.262 -9.152 8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.225 -8.346 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.049 -7.515 7.125 1.00 0.00 H new ATOM 1280 N TYR A 78 8.245 -8.027 3.924 1.00 0.00 N ATOM 1281 CA TYR A 78 8.875 -8.038 2.610 1.00 0.00 C ATOM 1282 C TYR A 78 9.715 -6.781 2.419 1.00 0.00 C ATOM 1283 O TYR A 78 10.851 -6.844 1.952 1.00 0.00 O ATOM 1284 CB TYR A 78 7.821 -8.144 1.502 1.00 0.00 C ATOM 1285 CG TYR A 78 8.401 -8.081 0.104 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.024 -9.185 -0.462 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.330 -6.911 -0.647 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.559 -9.129 -1.734 1.00 0.00 C ATOM 1289 CE2 TYR A 78 8.861 -6.849 -1.921 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.477 -7.959 -2.459 1.00 0.00 C ATOM 1291 OH TYR A 78 10.009 -7.900 -3.727 1.00 0.00 O ATOM 0 H TYR A 78 7.253 -7.790 3.916 1.00 0.00 H new ATOM 0 HA TYR A 78 9.525 -8.911 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.277 -9.081 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.097 -7.338 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.091 -10.103 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.852 -6.038 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.040 -9.998 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.794 -5.935 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 78 9.866 -7.005 -4.100 1.00 0.00 H new ATOM 1301 N TYR A 79 9.157 -5.638 2.795 1.00 0.00 N ATOM 1302 CA TYR A 79 9.866 -4.374 2.671 1.00 0.00 C ATOM 1303 C TYR A 79 10.911 -4.216 3.762 1.00 0.00 C ATOM 1304 O TYR A 79 11.787 -3.363 3.668 1.00 0.00 O ATOM 1305 CB TYR A 79 8.896 -3.197 2.674 1.00 0.00 C ATOM 1306 CG TYR A 79 8.268 -2.954 1.323 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.079 -3.574 0.958 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.880 -2.111 0.404 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.518 -3.358 -0.286 1.00 0.00 C ATOM 1310 CE2 TYR A 79 8.323 -1.888 -0.838 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.145 -2.516 -1.180 1.00 0.00 C ATOM 1312 OH TYR A 79 6.594 -2.300 -2.420 1.00 0.00 O ATOM 0 H TYR A 79 8.218 -5.561 3.187 1.00 0.00 H new ATOM 0 HA TYR A 79 10.384 -4.382 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.111 -3.381 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.424 -2.298 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.587 -4.234 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.807 -1.622 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.593 -3.846 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.808 -1.225 -1.539 1.00 0.00 H new ATOM 0 HH TYR A 79 7.309 -2.193 -3.082 1.00 0.00 H new ATOM 1322 N GLU A 80 10.819 -5.042 4.791 1.00 0.00 N ATOM 1323 CA GLU A 80 11.879 -5.132 5.783 1.00 0.00 C ATOM 1324 C GLU A 80 13.143 -5.671 5.116 1.00 0.00 C ATOM 1325 O GLU A 80 14.262 -5.325 5.491 1.00 0.00 O ATOM 1326 CB GLU A 80 11.448 -6.040 6.937 1.00 0.00 C ATOM 1327 CG GLU A 80 12.477 -6.153 8.049 1.00 0.00 C ATOM 1328 CD GLU A 80 12.007 -7.030 9.186 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.121 -8.267 9.076 1.00 0.00 O ATOM 1330 OE2 GLU A 80 11.519 -6.488 10.199 1.00 0.00 O ATOM 0 H GLU A 80 10.024 -5.658 4.962 1.00 0.00 H new ATOM 0 HA GLU A 80 12.084 -4.142 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.515 -5.661 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.240 -7.036 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.404 -6.557 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.704 -5.158 8.432 1.00 0.00 H new ATOM 1337 N MET A 81 12.941 -6.504 4.102 1.00 0.00 N ATOM 1338 CA MET A 81 14.036 -7.050 3.312 1.00 0.00 C ATOM 1339 C MET A 81 14.379 -6.114 2.159 1.00 0.00 C ATOM 1340 O MET A 81 15.551 -5.908 1.835 1.00 0.00 O ATOM 1341 CB MET A 81 13.645 -8.412 2.742 1.00 0.00 C ATOM 1342 CG MET A 81 13.415 -9.484 3.790 1.00 0.00 C ATOM 1343 SD MET A 81 12.725 -10.990 3.080 1.00 0.00 S ATOM 1344 CE MET A 81 13.840 -11.254 1.701 1.00 0.00 C ATOM 0 H MET A 81 12.017 -6.819 3.806 1.00 0.00 H new ATOM 0 HA MET A 81 14.904 -7.158 3.963 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.737 -8.298 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.428 -8.747 2.062 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.359 -9.716 4.284 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.740 -9.103 4.556 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.720 -12.270 1.325 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.611 -10.544 0.907 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.868 -11.109 2.032 1.00 0.00 H new ATOM 1354 N ALA A 82 13.341 -5.570 1.534 1.00 0.00 N ATOM 1355 CA ALA A 82 13.503 -4.703 0.376 1.00 0.00 C ATOM 1356 C ALA A 82 14.174 -3.386 0.757 1.00 0.00 C ATOM 1357 O ALA A 82 15.114 -2.943 0.096 1.00 0.00 O ATOM 1358 CB ALA A 82 12.156 -4.440 -0.277 1.00 0.00 C ATOM 0 H ALA A 82 12.371 -5.717 1.814 1.00 0.00 H new ATOM 0 HA ALA A 82 14.150 -5.213 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.291 -3.790 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.717 -5.384 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.492 -3.956 0.440 1.00 0.00 H new ATOM 1364 N LEU A 83 13.686 -2.764 1.820 1.00 0.00 N ATOM 1365 CA LEU A 83 14.259 -1.519 2.301 1.00 0.00 C ATOM 1366 C LEU A 83 15.394 -1.822 3.260 1.00 0.00 C ATOM 1367 O LEU A 83 15.164 -2.202 4.406 1.00 0.00 O ATOM 1368 CB LEU A 83 13.197 -0.666 2.999 1.00 0.00 C ATOM 1369 CG LEU A 83 11.997 -0.278 2.134 1.00 0.00 C ATOM 1370 CD1 LEU A 83 10.955 0.448 2.970 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.438 0.588 0.962 1.00 0.00 C ATOM 0 H LEU A 83 12.893 -3.103 2.365 1.00 0.00 H new ATOM 0 HA LEU A 83 14.641 -0.957 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.834 -1.209 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.670 0.245 3.365 1.00 0.00 H new ATOM 0 HG LEU A 83 11.550 -1.189 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.107 0.718 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.616 -0.204 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.394 1.351 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.570 0.853 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.910 1.496 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.150 0.036 0.349 1.00 0.00 H new ATOM 1383 N ALA A 84 16.614 -1.682 2.774 1.00 0.00 N ATOM 1384 CA ALA A 84 17.797 -1.955 3.572 1.00 0.00 C ATOM 1385 C ALA A 84 18.171 -0.756 4.432 1.00 0.00 C ATOM 1386 O ALA A 84 17.338 0.105 4.716 1.00 0.00 O ATOM 1387 CB ALA A 84 18.949 -2.339 2.659 1.00 0.00 C ATOM 0 H ALA A 84 16.813 -1.378 1.821 1.00 0.00 H new ATOM 0 HA ALA A 84 17.579 -2.785 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.836 -2.544 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.682 -3.230 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.157 -1.519 1.971 1.00 0.00 H new ATOM 1393 N THR A 85 19.428 -0.711 4.844 1.00 0.00 N ATOM 1394 CA THR A 85 19.925 0.345 5.704 1.00 0.00 C ATOM 1395 C THR A 85 20.008 1.684 4.965 1.00 0.00 C ATOM 1396 O THR A 85 20.134 2.744 5.583 1.00 0.00 O ATOM 1397 CB THR A 85 21.308 -0.042 6.246 1.00 0.00 C ATOM 1398 OG1 THR A 85 21.587 -1.411 5.906 1.00 0.00 O ATOM 1399 CG2 THR A 85 21.350 0.119 7.754 1.00 0.00 C ATOM 0 H THR A 85 20.130 -1.406 4.590 1.00 0.00 H new ATOM 0 HA THR A 85 19.225 0.467 6.530 1.00 0.00 H new ATOM 0 HB THR A 85 22.057 0.613 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.470 -1.660 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 85 22.337 -0.159 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 85 21.145 1.157 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.598 -0.525 8.210 1.00 0.00 H new ATOM 1407 N ASP A 86 19.936 1.626 3.640 1.00 0.00 N ATOM 1408 CA ASP A 86 19.940 2.830 2.818 1.00 0.00 C ATOM 1409 C ASP A 86 18.524 3.405 2.761 1.00 0.00 C ATOM 1410 O ASP A 86 17.604 2.825 3.343 1.00 0.00 O ATOM 1411 CB ASP A 86 20.456 2.511 1.409 1.00 0.00 C ATOM 1412 CG ASP A 86 20.897 3.750 0.647 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.049 4.191 0.840 1.00 0.00 O ATOM 1414 OD2 ASP A 86 20.099 4.289 -0.148 1.00 0.00 O ATOM 0 H ASP A 86 19.874 0.756 3.111 1.00 0.00 H new ATOM 0 HA ASP A 86 20.607 3.571 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.294 1.818 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 86 19.672 2.004 0.846 1.00 0.00 H new ATOM 1419 N HIS A 87 18.355 4.525 2.058 1.00 0.00 N ATOM 1420 CA HIS A 87 17.073 5.230 1.982 1.00 0.00 C ATOM 1421 C HIS A 87 16.737 5.911 3.312 1.00 0.00 C ATOM 1422 O HIS A 87 16.661 5.264 4.355 1.00 0.00 O ATOM 1423 CB HIS A 87 15.929 4.287 1.553 1.00 0.00 C ATOM 1424 CG HIS A 87 14.557 4.853 1.779 1.00 0.00 C ATOM 1425 ND1 HIS A 87 13.919 5.677 0.883 1.00 0.00 N ATOM 1426 CD2 HIS A 87 13.714 4.730 2.833 1.00 0.00 C ATOM 1427 CE1 HIS A 87 12.751 6.043 1.374 1.00 0.00 C ATOM 1428 NE2 HIS A 87 12.598 5.482 2.563 1.00 0.00 N ATOM 0 H HIS A 87 19.102 4.970 1.525 1.00 0.00 H new ATOM 0 HA HIS A 87 17.175 6.000 1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 87 16.044 4.050 0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.019 3.349 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 87 13.889 4.146 3.724 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.038 6.692 0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.789 5.590 3.174 1.00 0.00 H new ATOM 1437 N PRO A 88 16.526 7.232 3.280 1.00 0.00 N ATOM 1438 CA PRO A 88 16.135 7.996 4.466 1.00 0.00 C ATOM 1439 C PRO A 88 14.745 7.609 4.971 1.00 0.00 C ATOM 1440 O PRO A 88 13.760 7.698 4.233 1.00 0.00 O ATOM 1441 CB PRO A 88 16.148 9.450 3.982 1.00 0.00 C ATOM 1442 CG PRO A 88 15.998 9.369 2.503 1.00 0.00 C ATOM 1443 CD PRO A 88 16.663 8.089 2.089 1.00 0.00 C ATOM 0 HA PRO A 88 16.804 7.812 5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.335 10.022 4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.077 9.949 4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.946 9.373 2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.464 10.226 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 88 16.178 7.648 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.709 8.247 1.825 1.00 0.00 H new ATOM 1451 N GLN A 89 14.692 7.154 6.222 1.00 0.00 N ATOM 1452 CA GLN A 89 13.436 6.804 6.896 1.00 0.00 C ATOM 1453 C GLN A 89 12.748 5.610 6.228 1.00 0.00 C ATOM 1454 O GLN A 89 11.874 5.772 5.371 1.00 0.00 O ATOM 1455 CB GLN A 89 12.488 8.010 6.947 1.00 0.00 C ATOM 1456 CG GLN A 89 13.117 9.249 7.566 1.00 0.00 C ATOM 1457 CD GLN A 89 12.190 10.448 7.578 1.00 0.00 C ATOM 1458 OE1 GLN A 89 11.312 10.578 6.729 1.00 0.00 O ATOM 1459 NE2 GLN A 89 12.388 11.339 8.537 1.00 0.00 N ATOM 0 H GLN A 89 15.520 7.016 6.801 1.00 0.00 H new ATOM 0 HA GLN A 89 13.686 6.515 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.158 8.246 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.599 7.740 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.420 9.022 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.022 9.503 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.128 11.194 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.800 12.171 8.590 1.00 0.00 H new ATOM 1468 N ARG A 90 13.163 4.410 6.611 1.00 0.00 N ATOM 1469 CA ARG A 90 12.556 3.186 6.096 1.00 0.00 C ATOM 1470 C ARG A 90 11.347 2.794 6.946 1.00 0.00 C ATOM 1471 O ARG A 90 10.398 2.181 6.452 1.00 0.00 O ATOM 1472 CB ARG A 90 13.584 2.039 6.061 1.00 0.00 C ATOM 1473 CG ARG A 90 14.132 1.657 7.428 1.00 0.00 C ATOM 1474 CD ARG A 90 15.297 0.677 7.336 1.00 0.00 C ATOM 1475 NE ARG A 90 14.905 -0.638 6.823 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.844 -1.743 7.569 1.00 0.00 C ATOM 1477 NH1 ARG A 90 15.028 -1.684 8.880 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.593 -2.912 6.998 1.00 0.00 N ATOM 0 H ARG A 90 13.919 4.256 7.278 1.00 0.00 H new ATOM 0 HA ARG A 90 12.220 3.373 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.120 1.162 5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.414 2.328 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.458 2.557 7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.335 1.214 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.067 1.097 6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.741 0.557 8.324 1.00 0.00 H new ATOM 0 HE ARG A 90 14.664 -0.714 5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.218 -0.788 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.979 -2.535 9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.447 -2.966 5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.546 -3.758 7.566 1.00 0.00 H new ATOM 1492 N ALA A 91 11.378 3.182 8.218 1.00 0.00 N ATOM 1493 CA ALA A 91 10.339 2.805 9.170 1.00 0.00 C ATOM 1494 C ALA A 91 8.994 3.443 8.839 1.00 0.00 C ATOM 1495 O ALA A 91 7.950 2.829 9.049 1.00 0.00 O ATOM 1496 CB ALA A 91 10.763 3.171 10.582 1.00 0.00 C ATOM 0 H ALA A 91 12.118 3.762 8.615 1.00 0.00 H new ATOM 0 HA ALA A 91 10.210 1.725 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.979 2.885 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.684 2.645 10.833 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.930 4.246 10.644 1.00 0.00 H new ATOM 1502 N LEU A 92 9.015 4.668 8.318 1.00 0.00 N ATOM 1503 CA LEU A 92 7.775 5.367 7.977 1.00 0.00 C ATOM 1504 C LEU A 92 6.989 4.603 6.917 1.00 0.00 C ATOM 1505 O LEU A 92 5.759 4.531 6.972 1.00 0.00 O ATOM 1506 CB LEU A 92 8.060 6.794 7.498 1.00 0.00 C ATOM 1507 CG LEU A 92 8.630 7.732 8.564 1.00 0.00 C ATOM 1508 CD1 LEU A 92 8.770 9.139 8.009 1.00 0.00 C ATOM 1509 CD2 LEU A 92 7.744 7.736 9.803 1.00 0.00 C ATOM 0 H LEU A 92 9.867 5.194 8.124 1.00 0.00 H new ATOM 0 HA LEU A 92 7.170 5.422 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.760 6.748 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.135 7.224 7.114 1.00 0.00 H new ATOM 0 HG LEU A 92 9.618 7.370 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.177 9.795 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.442 9.126 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.792 9.507 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.166 8.409 10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.743 8.074 9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.688 6.728 10.213 1.00 0.00 H new ATOM 1521 N ILE A 93 7.703 4.016 5.966 1.00 0.00 N ATOM 1522 CA ILE A 93 7.070 3.210 4.934 1.00 0.00 C ATOM 1523 C ILE A 93 6.485 1.946 5.555 1.00 0.00 C ATOM 1524 O ILE A 93 5.355 1.558 5.256 1.00 0.00 O ATOM 1525 CB ILE A 93 8.065 2.826 3.816 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.685 4.086 3.205 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.369 1.998 2.743 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.684 3.805 2.106 1.00 0.00 C ATOM 0 H ILE A 93 8.718 4.083 5.889 1.00 0.00 H new ATOM 0 HA ILE A 93 6.276 3.807 4.485 1.00 0.00 H new ATOM 0 HB ILE A 93 8.861 2.222 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.889 4.715 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.177 4.656 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.085 1.737 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.969 1.087 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.554 2.577 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.079 4.746 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.502 3.203 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.193 3.263 1.298 1.00 0.00 H new ATOM 1540 N LEU A 94 7.258 1.329 6.444 1.00 0.00 N ATOM 1541 CA LEU A 94 6.816 0.131 7.150 1.00 0.00 C ATOM 1542 C LEU A 94 5.566 0.422 7.976 1.00 0.00 C ATOM 1543 O LEU A 94 4.658 -0.402 8.049 1.00 0.00 O ATOM 1544 CB LEU A 94 7.933 -0.399 8.056 1.00 0.00 C ATOM 1545 CG LEU A 94 9.216 -0.813 7.329 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.284 -1.225 8.329 1.00 0.00 C ATOM 1547 CD2 LEU A 94 8.936 -1.948 6.355 1.00 0.00 C ATOM 0 H LEU A 94 8.197 1.640 6.693 1.00 0.00 H new ATOM 0 HA LEU A 94 6.573 -0.630 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.181 0.369 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.554 -1.258 8.610 1.00 0.00 H new ATOM 0 HG LEU A 94 9.582 0.044 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.189 -1.516 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.506 -0.387 8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.924 -2.068 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.859 -2.228 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.546 -2.807 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.202 -1.622 5.618 1.00 0.00 H new ATOM 1559 N ALA A 95 5.523 1.607 8.581 1.00 0.00 N ATOM 1560 CA ALA A 95 4.375 2.026 9.378 1.00 0.00 C ATOM 1561 C ALA A 95 3.098 2.013 8.544 1.00 0.00 C ATOM 1562 O ALA A 95 2.061 1.515 8.987 1.00 0.00 O ATOM 1563 CB ALA A 95 4.613 3.410 9.967 1.00 0.00 C ATOM 0 H ALA A 95 6.274 2.296 8.533 1.00 0.00 H new ATOM 0 HA ALA A 95 4.252 1.316 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.747 3.707 10.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.497 3.387 10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.765 4.127 9.161 1.00 0.00 H new ATOM 1569 N GLU A 96 3.183 2.551 7.335 1.00 0.00 N ATOM 1570 CA GLU A 96 2.054 2.535 6.412 1.00 0.00 C ATOM 1571 C GLU A 96 1.682 1.104 6.030 1.00 0.00 C ATOM 1572 O GLU A 96 0.503 0.751 5.974 1.00 0.00 O ATOM 1573 CB GLU A 96 2.379 3.351 5.158 1.00 0.00 C ATOM 1574 CG GLU A 96 2.371 4.853 5.391 1.00 0.00 C ATOM 1575 CD GLU A 96 0.982 5.393 5.656 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.462 5.195 6.774 1.00 0.00 O ATOM 1577 OE2 GLU A 96 0.403 6.019 4.750 1.00 0.00 O ATOM 0 H GLU A 96 4.021 3.004 6.970 1.00 0.00 H new ATOM 0 HA GLU A 96 1.199 2.987 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.360 3.055 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.656 3.109 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.016 5.089 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.792 5.355 4.519 1.00 0.00 H new ATOM 1584 N LEU A 97 2.693 0.281 5.792 1.00 0.00 N ATOM 1585 CA LEU A 97 2.479 -1.111 5.410 1.00 0.00 C ATOM 1586 C LEU A 97 1.788 -1.887 6.530 1.00 0.00 C ATOM 1587 O LEU A 97 0.880 -2.682 6.279 1.00 0.00 O ATOM 1588 CB LEU A 97 3.811 -1.773 5.063 1.00 0.00 C ATOM 1589 CG LEU A 97 4.609 -1.078 3.961 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.946 -1.767 3.768 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.825 -1.056 2.659 1.00 0.00 C ATOM 0 H LEU A 97 3.674 0.553 5.857 1.00 0.00 H new ATOM 0 HA LEU A 97 1.832 -1.125 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.424 -1.815 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.620 -2.802 4.759 1.00 0.00 H new ATOM 0 HG LEU A 97 4.789 -0.047 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.505 -1.262 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.513 -1.727 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.782 -2.807 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.413 -0.556 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.611 -2.078 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.889 -0.518 2.807 1.00 0.00 H new ATOM 1603 N GLU A 98 2.228 -1.654 7.762 1.00 0.00 N ATOM 1604 CA GLU A 98 1.615 -2.272 8.934 1.00 0.00 C ATOM 1605 C GLU A 98 0.167 -1.821 9.079 1.00 0.00 C ATOM 1606 O GLU A 98 -0.707 -2.600 9.459 1.00 0.00 O ATOM 1607 CB GLU A 98 2.389 -1.900 10.200 1.00 0.00 C ATOM 1608 CG GLU A 98 3.790 -2.482 10.265 1.00 0.00 C ATOM 1609 CD GLU A 98 4.541 -2.016 11.493 1.00 0.00 C ATOM 1610 OE1 GLU A 98 3.926 -1.941 12.578 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.744 -1.704 11.381 1.00 0.00 O ATOM 0 H GLU A 98 3.012 -1.038 7.976 1.00 0.00 H new ATOM 0 HA GLU A 98 1.643 -3.353 8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.455 -0.814 10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.826 -2.239 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.731 -3.570 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.344 -2.195 9.371 1.00 0.00 H new ATOM 1618 N LYS A 99 -0.072 -0.556 8.767 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.397 0.030 8.876 1.00 0.00 C ATOM 1620 C LYS A 99 -2.355 -0.637 7.895 1.00 0.00 C ATOM 1621 O LYS A 99 -3.472 -1.008 8.252 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.314 1.530 8.599 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.515 2.315 9.090 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.333 3.807 8.860 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.027 4.319 9.454 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.888 3.993 10.899 1.00 0.00 N ATOM 0 H LYS A 99 0.644 0.089 8.433 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.776 -0.128 9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.415 1.927 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.205 1.685 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.412 1.972 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.667 2.125 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.351 4.014 7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.170 4.347 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.189 3.888 8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.971 5.400 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.072 4.504 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.752 4.278 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.743 2.969 11.012 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.893 -0.798 6.662 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.682 -1.444 5.623 1.00 0.00 C ATOM 1642 C LEU A 100 -2.944 -2.906 5.984 1.00 0.00 C ATOM 1643 O LEU A 100 -4.058 -3.410 5.829 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.950 -1.349 4.282 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.750 -1.813 3.065 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.990 -0.950 2.882 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.883 -1.776 1.816 1.00 0.00 C ATOM 0 H LEU A 100 -0.971 -0.488 6.357 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.642 -0.934 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.649 -0.313 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.037 -1.941 4.343 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.070 -2.841 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.548 -1.294 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.619 -1.025 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.692 0.088 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.467 -2.109 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.535 -0.757 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.025 -2.435 1.949 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.908 -3.569 6.489 1.00 0.00 N ATOM 1660 CA ASP A 101 -2.003 -4.965 6.918 1.00 0.00 C ATOM 1661 C ASP A 101 -3.079 -5.141 7.988 1.00 0.00 C ATOM 1662 O ASP A 101 -3.850 -6.102 7.954 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.645 -5.437 7.448 1.00 0.00 C ATOM 1664 CG ASP A 101 -0.719 -6.754 8.196 1.00 0.00 C ATOM 1665 OD1 ASP A 101 -1.051 -7.780 7.579 1.00 0.00 O ATOM 1666 OD2 ASP A 101 -0.441 -6.760 9.415 1.00 0.00 O ATOM 0 H ASP A 101 -0.983 -3.158 6.613 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.285 -5.571 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.048 -5.540 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.236 -4.674 8.110 1.00 0.00 H new ATOM 1671 N ALA A 102 -3.141 -4.193 8.919 1.00 0.00 N ATOM 1672 CA ALA A 102 -4.120 -4.234 9.999 1.00 0.00 C ATOM 1673 C ALA A 102 -5.544 -4.120 9.461 1.00 0.00 C ATOM 1674 O ALA A 102 -6.481 -4.680 10.032 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.842 -3.126 11.005 1.00 0.00 C ATOM 0 H ALA A 102 -2.521 -3.383 8.946 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.029 -5.198 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.580 -3.168 11.806 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.844 -3.257 11.424 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.902 -2.159 10.507 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.696 -3.403 8.352 1.00 0.00 N ATOM 1682 CA LEU A 103 -7.002 -3.225 7.729 1.00 0.00 C ATOM 1683 C LEU A 103 -7.499 -4.541 7.138 1.00 0.00 C ATOM 1684 O LEU A 103 -8.674 -4.882 7.263 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.939 -2.147 6.642 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.552 -0.748 7.130 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.476 0.224 5.963 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.542 -0.250 8.173 1.00 0.00 C ATOM 0 H LEU A 103 -4.930 -2.936 7.866 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.704 -2.902 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.222 -2.461 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.912 -2.088 6.155 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.567 -0.809 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.200 1.212 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.727 -0.121 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.447 0.278 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.249 0.745 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.540 -0.207 7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.547 -0.931 9.024 1.00 0.00 H new ATOM 1700 N PHE A 104 -6.595 -5.289 6.516 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.948 -6.583 5.932 1.00 0.00 C ATOM 1702 C PHE A 104 -7.091 -7.651 7.013 1.00 0.00 C ATOM 1703 O PHE A 104 -7.669 -8.713 6.782 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.893 -7.031 4.915 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.756 -6.118 3.729 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.834 -5.882 2.888 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.549 -5.497 3.453 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.709 -5.043 1.797 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.419 -4.658 2.364 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.500 -4.431 1.535 1.00 0.00 C ATOM 0 H PHE A 104 -5.616 -5.026 6.402 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.905 -6.460 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.928 -7.104 5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.145 -8.031 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.782 -6.360 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.700 -5.671 4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.556 -4.867 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.472 -4.180 2.161 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.399 -3.775 0.683 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.562 -7.361 8.193 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.548 -8.323 9.285 1.00 0.00 C ATOM 1722 C ALA A 105 -7.918 -8.464 9.943 1.00 0.00 C ATOM 1723 O ALA A 105 -8.320 -9.567 10.317 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.509 -7.926 10.319 1.00 0.00 C ATOM 0 H ALA A 105 -6.135 -6.463 8.419 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.287 -9.293 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.508 -8.653 11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.524 -7.900 9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.749 -6.939 10.716 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.638 -7.359 10.075 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.909 -7.374 10.792 1.00 0.00 C ATOM 1732 C ASP A 106 -10.938 -6.464 10.134 1.00 0.00 C ATOM 1733 O ASP A 106 -10.729 -5.255 10.014 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.695 -6.954 12.248 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.983 -6.917 13.048 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.566 -7.994 13.292 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.400 -5.816 13.462 1.00 0.00 O ATOM 0 H ASP A 106 -8.369 -6.449 9.700 1.00 0.00 H new ATOM 0 HA ASP A 106 -10.296 -8.392 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.999 -7.646 12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.230 -5.968 12.272 1.00 0.00 H new ATOM 1742 N ASP A 107 -12.046 -7.060 9.712 1.00 0.00 N ATOM 1743 CA ASP A 107 -13.149 -6.315 9.119 1.00 0.00 C ATOM 1744 C ASP A 107 -14.430 -6.576 9.908 1.00 0.00 C ATOM 1745 O ASP A 107 -14.533 -7.572 10.625 1.00 0.00 O ATOM 1746 CB ASP A 107 -13.338 -6.701 7.646 1.00 0.00 C ATOM 1747 CG ASP A 107 -14.486 -5.951 6.993 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.307 -4.776 6.623 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -15.586 -6.522 6.880 1.00 0.00 O ATOM 0 H ASP A 107 -12.205 -8.066 9.770 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.915 -5.251 9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.417 -6.498 7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.521 -7.773 7.575 1.00 0.00 H new