USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 884 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 84 MET CE :methyl -155:sc= -3.84! (180deg=-5.43!) USER MOD Set 1.2: B 9 GLN : amide:sc= -5.89! C(o=-8.9!,f=-8!) USER MOD Set 1.3: B 11 THR OG1 : rot -3:sc= 0.785 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 178:sc= 0.131 (180deg=0.13) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 63:sc= 0.0857 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.13) USER MOD Single : A 21 SER OG : rot 1:sc= -1.33! USER MOD Single : A 23 SER OG : rot 180:sc= 0.0955 USER MOD Single : A 29 SER OG : rot 42:sc= 0.165 USER MOD Single : A 33 ASN : amide:sc= -11.7! C(o=-12!,f=-24!) USER MOD Single : A 35 SER OG : rot 70:sc= -2.18! USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 0.0688 (180deg=-0.123) USER MOD Single : A 38 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.2!) USER MOD Single : A 39 HIS : no HE2:sc= -0.153 K(o=-0.15,f=-1.6) USER MOD Single : A 48 SER OG : rot 46:sc= 0.79 USER MOD Single : A 51 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.54) USER MOD Single : A 56 SER OG : rot -90:sc= -1.55 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.4!) USER MOD Single : A 66 GLN : amide:sc= -5.97 K(o=-6,f=-13!) USER MOD Single : A 71 ASN : amide:sc= -9.73! K(o=-9.7!,f=-5.7) USER MOD Single : A 74 SER OG : rot 180:sc=-0.00955 USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= 0.148 (180deg=-0.0942) USER MOD Single : A 80 ASN : amide:sc= -4.16! C(o=-4.2!,f=-5.7!) USER MOD Single : A 81 GLN : amide:sc= -2.8 K(o=-2.8,f=-4.3!) USER MOD Single : A 86 THR OG1 : rot 80:sc= -0.804 USER MOD Single : A 90 SER OG : rot 110:sc= 1.75 USER MOD Single : A 91 MET CE :methyl 180:sc= -7.21! (180deg=-7.21!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.13! K(o=-2.1!,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -165:sc= -3.19 (180deg=-4.03) USER MOD Single : A 102 GLN : amide:sc= -9.46! C(o=-9.5!,f=-13!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 HIS : no HD1:sc=-0.00937 X(o=-0.0094,f=-0.099) USER MOD Single : B 8 SER OG : rot -36:sc= -1.03 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -6.259 -11.628 -5.658 1.00 0.00 N ATOM 2 CA GLY A 7 -7.672 -11.410 -5.417 1.00 0.00 C ATOM 3 C GLY A 7 -8.151 -10.073 -5.950 1.00 0.00 C ATOM 4 O GLY A 7 -9.094 -10.014 -6.741 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.245 -12.211 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.867 -11.462 -4.346 1.00 0.00 H new ATOM 8 N THR A 8 -7.504 -8.998 -5.516 1.00 0.00 N ATOM 9 CA THR A 8 -7.868 -7.656 -5.953 1.00 0.00 C ATOM 10 C THR A 8 -6.704 -6.687 -5.766 1.00 0.00 C ATOM 11 O THR A 8 -6.798 -5.728 -5.002 1.00 0.00 O ATOM 12 CB THR A 8 -9.091 -7.161 -5.178 1.00 0.00 C ATOM 13 OG1 THR A 8 -8.885 -7.284 -3.782 1.00 0.00 O ATOM 14 CG2 THR A 8 -10.361 -7.909 -5.522 1.00 0.00 C ATOM 0 H THR A 8 -6.723 -9.030 -4.861 1.00 0.00 H new ATOM 0 HA THR A 8 -8.112 -7.699 -7.015 1.00 0.00 H new ATOM 0 HB THR A 8 -9.213 -6.117 -5.468 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.132 -6.719 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.189 -7.508 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.576 -7.791 -6.584 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.234 -8.967 -5.293 1.00 0.00 H new ATOM 22 N ARG A 9 -5.607 -6.943 -6.472 1.00 0.00 N ATOM 23 CA ARG A 9 -4.425 -6.092 -6.383 1.00 0.00 C ATOM 24 C ARG A 9 -4.418 -5.056 -7.503 1.00 0.00 C ATOM 25 O ARG A 9 -4.901 -5.316 -8.605 1.00 0.00 O ATOM 26 CB ARG A 9 -3.154 -6.940 -6.449 1.00 0.00 C ATOM 27 CG ARG A 9 -2.038 -6.433 -5.550 1.00 0.00 C ATOM 28 CD ARG A 9 -0.905 -7.441 -5.446 1.00 0.00 C ATOM 29 NE ARG A 9 -0.430 -7.868 -6.759 1.00 0.00 N ATOM 30 CZ ARG A 9 0.391 -7.147 -7.521 1.00 0.00 C ATOM 31 NH1 ARG A 9 0.826 -5.964 -7.104 1.00 0.00 N ATOM 32 NH2 ARG A 9 0.775 -7.609 -8.702 1.00 0.00 N ATOM 0 H ARG A 9 -5.512 -7.732 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.454 -5.569 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.396 -7.966 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.797 -6.965 -7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.654 -5.491 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.435 -6.227 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.079 -7.001 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.244 -8.310 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.745 -8.771 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.532 -5.603 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.455 -5.416 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.442 -8.516 -9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.404 -7.057 -9.286 1.00 0.00 H new ATOM 46 N GLU A 10 -3.869 -3.880 -7.213 1.00 0.00 N ATOM 47 CA GLU A 10 -3.803 -2.808 -8.200 1.00 0.00 C ATOM 48 C GLU A 10 -2.606 -1.897 -7.944 1.00 0.00 C ATOM 49 O GLU A 10 -2.220 -1.669 -6.797 1.00 0.00 O ATOM 50 CB GLU A 10 -5.095 -1.987 -8.179 1.00 0.00 C ATOM 51 CG GLU A 10 -5.337 -1.268 -6.863 1.00 0.00 C ATOM 52 CD GLU A 10 -6.044 0.061 -7.046 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.748 0.760 -8.038 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.896 0.403 -6.199 1.00 0.00 O ATOM 0 H GLU A 10 -3.465 -3.646 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.683 -3.264 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.062 -1.253 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.938 -2.647 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.933 -1.905 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.383 -1.102 -6.363 1.00 0.00 H new ATOM 61 N PHE A 11 -2.024 -1.380 -9.023 1.00 0.00 N ATOM 62 CA PHE A 11 -0.872 -0.491 -8.924 1.00 0.00 C ATOM 63 C PHE A 11 -1.317 0.965 -8.844 1.00 0.00 C ATOM 64 O PHE A 11 -2.324 1.350 -9.438 1.00 0.00 O ATOM 65 CB PHE A 11 0.056 -0.689 -10.124 1.00 0.00 C ATOM 66 CG PHE A 11 0.327 -2.131 -10.442 1.00 0.00 C ATOM 67 CD1 PHE A 11 -0.589 -2.879 -11.162 1.00 0.00 C ATOM 68 CD2 PHE A 11 1.500 -2.737 -10.021 1.00 0.00 C ATOM 69 CE1 PHE A 11 -0.341 -4.208 -11.456 1.00 0.00 C ATOM 70 CE2 PHE A 11 1.753 -4.064 -10.313 1.00 0.00 C ATOM 71 CZ PHE A 11 0.832 -4.800 -11.030 1.00 0.00 C ATOM 0 H PHE A 11 -2.333 -1.563 -9.978 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.330 -0.738 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.386 -0.210 -10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.002 -0.185 -9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.507 -2.420 -11.498 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.224 -2.166 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.063 -4.782 -12.018 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.671 -4.525 -9.980 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.028 -5.837 -11.258 1.00 0.00 H new ATOM 81 N LEU A 12 -0.565 1.772 -8.101 1.00 0.00 N ATOM 82 CA LEU A 12 -0.889 3.186 -7.943 1.00 0.00 C ATOM 83 C LEU A 12 0.367 4.047 -8.008 1.00 0.00 C ATOM 84 O LEU A 12 1.191 4.035 -7.095 1.00 0.00 O ATOM 85 CB LEU A 12 -1.607 3.427 -6.612 1.00 0.00 C ATOM 86 CG LEU A 12 -2.564 2.317 -6.173 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.495 2.115 -4.666 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.987 2.638 -6.605 1.00 0.00 C ATOM 0 H LEU A 12 0.271 1.472 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.549 3.468 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.857 3.566 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.167 4.359 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.259 1.389 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.183 1.322 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.480 1.838 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.773 3.040 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.654 1.838 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.302 3.577 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.026 2.730 -7.690 1.00 0.00 H new ATOM 100 N THR A 13 0.497 4.805 -9.090 1.00 0.00 N ATOM 101 CA THR A 13 1.642 5.688 -9.276 1.00 0.00 C ATOM 102 C THR A 13 1.358 7.052 -8.655 1.00 0.00 C ATOM 103 O THR A 13 0.386 7.715 -9.017 1.00 0.00 O ATOM 104 CB THR A 13 1.959 5.840 -10.764 1.00 0.00 C ATOM 105 OG1 THR A 13 2.257 4.582 -11.344 1.00 0.00 O ATOM 106 CG2 THR A 13 3.129 6.758 -11.036 1.00 0.00 C ATOM 0 H THR A 13 -0.178 4.826 -9.854 1.00 0.00 H new ATOM 0 HA THR A 13 2.507 5.249 -8.780 1.00 0.00 H new ATOM 0 HB THR A 13 1.064 6.278 -11.206 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.455 4.700 -12.296 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.300 6.821 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.911 7.751 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.021 6.364 -10.549 1.00 0.00 H new ATOM 114 N PHE A 14 2.197 7.462 -7.709 1.00 0.00 N ATOM 115 CA PHE A 14 2.009 8.741 -7.035 1.00 0.00 C ATOM 116 C PHE A 14 3.290 9.567 -6.992 1.00 0.00 C ATOM 117 O PHE A 14 4.395 9.028 -6.950 1.00 0.00 O ATOM 118 CB PHE A 14 1.502 8.509 -5.611 1.00 0.00 C ATOM 119 CG PHE A 14 0.179 7.805 -5.552 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.909 8.287 -6.263 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.021 6.660 -4.788 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.129 7.640 -6.213 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.196 6.009 -4.734 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.272 6.500 -5.447 1.00 0.00 C ATOM 0 H PHE A 14 3.009 6.931 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 14 1.273 9.304 -7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.240 7.924 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.416 9.470 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.802 9.179 -6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.859 6.272 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.969 8.025 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.306 5.117 -4.135 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.225 5.993 -5.406 1.00 0.00 H new ATOM 134 N GLU A 15 3.116 10.883 -6.981 1.00 0.00 N ATOM 135 CA GLU A 15 4.231 11.822 -6.915 1.00 0.00 C ATOM 136 C GLU A 15 4.192 12.542 -5.573 1.00 0.00 C ATOM 137 O GLU A 15 3.273 13.315 -5.300 1.00 0.00 O ATOM 138 CB GLU A 15 4.162 12.827 -8.069 1.00 0.00 C ATOM 139 CG GLU A 15 3.318 12.360 -9.246 1.00 0.00 C ATOM 140 CD GLU A 15 1.882 12.836 -9.160 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.634 14.030 -9.429 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.004 12.015 -8.823 1.00 0.00 O ATOM 0 H GLU A 15 2.200 11.330 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 15 5.170 11.276 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.757 13.767 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.173 13.033 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.762 12.723 -10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.334 11.271 -9.290 1.00 0.00 H new ATOM 149 N VAL A 16 5.167 12.252 -4.720 1.00 0.00 N ATOM 150 CA VAL A 16 5.210 12.837 -3.386 1.00 0.00 C ATOM 151 C VAL A 16 6.179 14.014 -3.276 1.00 0.00 C ATOM 152 O VAL A 16 7.392 13.841 -3.396 1.00 0.00 O ATOM 153 CB VAL A 16 5.607 11.782 -2.339 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.355 12.302 -0.933 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.857 10.480 -2.577 1.00 0.00 C ATOM 0 H VAL A 16 5.937 11.616 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 16 4.203 13.207 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 16 6.674 11.582 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.642 11.541 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.945 13.203 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.297 12.535 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.152 9.747 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.784 10.660 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.096 10.098 -3.570 1.00 0.00 H new ATOM 165 N PRO A 17 5.656 15.228 -3.010 1.00 0.00 N ATOM 166 CA PRO A 17 6.477 16.422 -2.845 1.00 0.00 C ATOM 167 C PRO A 17 6.966 16.550 -1.405 1.00 0.00 C ATOM 168 O PRO A 17 6.173 16.465 -0.470 1.00 0.00 O ATOM 169 CB PRO A 17 5.502 17.542 -3.185 1.00 0.00 C ATOM 170 CG PRO A 17 4.176 17.037 -2.720 1.00 0.00 C ATOM 171 CD PRO A 17 4.223 15.529 -2.820 1.00 0.00 C ATOM 0 HA PRO A 17 7.375 16.422 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.772 18.470 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.494 17.751 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.981 17.350 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.371 17.440 -3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.832 15.057 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.625 15.166 -3.655 1.00 0.00 H new ATOM 179 N LEU A 18 8.271 16.726 -1.223 1.00 0.00 N ATOM 180 CA LEU A 18 8.837 16.830 0.118 1.00 0.00 C ATOM 181 C LEU A 18 9.704 18.067 0.281 1.00 0.00 C ATOM 182 O LEU A 18 10.637 18.078 1.084 1.00 0.00 O ATOM 183 CB LEU A 18 9.668 15.592 0.418 1.00 0.00 C ATOM 184 CG LEU A 18 10.734 15.312 -0.631 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.049 14.923 0.029 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.266 14.229 -1.591 1.00 0.00 C ATOM 0 H LEU A 18 8.951 16.799 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 18 8.006 16.911 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.147 15.712 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.007 14.729 0.493 1.00 0.00 H new ATOM 0 HG LEU A 18 10.902 16.224 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.797 14.727 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.390 15.737 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.903 14.026 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.041 14.042 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.067 13.312 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.355 14.556 -2.092 1.00 0.00 H new ATOM 198 N ASN A 19 9.388 19.108 -0.473 1.00 0.00 N ATOM 199 CA ASN A 19 10.129 20.369 -0.406 1.00 0.00 C ATOM 200 C ASN A 19 10.519 20.708 1.034 1.00 0.00 C ATOM 201 O ASN A 19 11.574 21.289 1.286 1.00 0.00 O ATOM 202 CB ASN A 19 9.283 21.499 -0.992 1.00 0.00 C ATOM 203 CG ASN A 19 8.176 21.956 -0.054 1.00 0.00 C ATOM 204 OD1 ASN A 19 8.098 23.133 0.299 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.314 21.029 0.354 1.00 0.00 N ATOM 0 H ASN A 19 8.620 19.109 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 19 11.044 20.256 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.928 22.346 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.842 21.166 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.552 21.283 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.415 20.065 0.038 1.00 0.00 H new ATOM 212 N ASP A 20 9.657 20.326 1.968 1.00 0.00 N ATOM 213 CA ASP A 20 9.895 20.568 3.385 1.00 0.00 C ATOM 214 C ASP A 20 10.240 19.266 4.090 1.00 0.00 C ATOM 215 O ASP A 20 11.034 19.241 5.028 1.00 0.00 O ATOM 216 CB ASP A 20 8.662 21.191 4.039 1.00 0.00 C ATOM 217 CG ASP A 20 8.283 22.521 3.418 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.135 23.434 3.406 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.135 22.649 2.944 1.00 0.00 O ATOM 0 H ASP A 20 8.781 19.844 1.767 1.00 0.00 H new ATOM 0 HA ASP A 20 10.732 21.260 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.822 20.502 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.852 21.332 5.103 1.00 0.00 H new ATOM 224 N SER A 21 9.632 18.184 3.620 1.00 0.00 N ATOM 225 CA SER A 21 9.864 16.868 4.189 1.00 0.00 C ATOM 226 C SER A 21 11.267 16.361 3.858 1.00 0.00 C ATOM 227 O SER A 21 11.684 15.316 4.356 1.00 0.00 O ATOM 228 CB SER A 21 8.813 15.881 3.676 1.00 0.00 C ATOM 229 OG SER A 21 9.224 14.542 3.882 1.00 0.00 O ATOM 0 H SER A 21 8.972 18.195 2.842 1.00 0.00 H new ATOM 0 HA SER A 21 9.782 16.949 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.866 16.056 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.638 16.051 2.614 1.00 0.00 H new ATOM 0 HG SER A 21 10.093 14.533 4.334 1.00 0.00 H new ATOM 235 N GLY A 22 11.994 17.105 3.018 1.00 0.00 N ATOM 236 CA GLY A 22 13.345 16.709 2.647 1.00 0.00 C ATOM 237 C GLY A 22 14.151 16.193 3.826 1.00 0.00 C ATOM 238 O GLY A 22 15.020 15.336 3.664 1.00 0.00 O ATOM 0 H GLY A 22 11.670 17.972 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.295 15.935 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.861 17.562 2.206 1.00 0.00 H new ATOM 242 N SER A 23 13.855 16.710 5.015 1.00 0.00 N ATOM 243 CA SER A 23 14.548 16.290 6.225 1.00 0.00 C ATOM 244 C SER A 23 13.918 15.022 6.794 1.00 0.00 C ATOM 245 O SER A 23 14.616 14.132 7.274 1.00 0.00 O ATOM 246 CB SER A 23 14.515 17.406 7.272 1.00 0.00 C ATOM 247 OG SER A 23 13.379 18.237 7.096 1.00 0.00 O ATOM 0 H SER A 23 13.139 17.421 5.165 1.00 0.00 H new ATOM 0 HA SER A 23 15.586 16.077 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.500 16.971 8.271 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.423 18.005 7.198 1.00 0.00 H new ATOM 0 HG SER A 23 13.380 18.941 7.778 1.00 0.00 H new ATOM 253 N ALA A 24 12.591 14.950 6.727 1.00 0.00 N ATOM 254 CA ALA A 24 11.861 13.793 7.228 1.00 0.00 C ATOM 255 C ALA A 24 11.838 12.659 6.202 1.00 0.00 C ATOM 256 O ALA A 24 11.231 11.613 6.439 1.00 0.00 O ATOM 257 CB ALA A 24 10.438 14.194 7.596 1.00 0.00 C ATOM 0 H ALA A 24 12.001 15.681 6.330 1.00 0.00 H new ATOM 0 HA ALA A 24 12.376 13.430 8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.900 13.323 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.465 14.963 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.930 14.584 6.714 1.00 0.00 H new ATOM 263 N GLY A 25 12.492 12.869 5.060 1.00 0.00 N ATOM 264 CA GLY A 25 12.518 11.852 4.023 1.00 0.00 C ATOM 265 C GLY A 25 11.298 11.925 3.126 1.00 0.00 C ATOM 266 O GLY A 25 11.416 12.023 1.905 1.00 0.00 O ATOM 0 H GLY A 25 13.003 13.723 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.419 11.971 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.571 10.866 4.484 1.00 0.00 H new ATOM 270 N LEU A 26 10.122 11.891 3.742 1.00 0.00 N ATOM 271 CA LEU A 26 8.864 11.964 3.009 1.00 0.00 C ATOM 272 C LEU A 26 7.685 12.012 3.972 1.00 0.00 C ATOM 273 O LEU A 26 6.697 12.700 3.722 1.00 0.00 O ATOM 274 CB LEU A 26 8.720 10.783 2.050 1.00 0.00 C ATOM 275 CG LEU A 26 8.003 11.107 0.736 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.639 12.315 0.060 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.021 9.903 -0.194 1.00 0.00 C ATOM 0 H LEU A 26 10.014 11.813 4.753 1.00 0.00 H new ATOM 0 HA LEU A 26 8.870 12.882 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.713 10.396 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.177 9.985 2.557 1.00 0.00 H new ATOM 0 HG LEU A 26 6.965 11.350 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.115 12.528 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.571 13.179 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.687 12.103 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.507 10.153 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.053 9.628 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.516 9.065 0.286 1.00 0.00 H new ATOM 289 N GLY A 27 7.798 11.291 5.083 1.00 0.00 N ATOM 290 CA GLY A 27 6.735 11.287 6.070 1.00 0.00 C ATOM 291 C GLY A 27 5.973 9.979 6.133 1.00 0.00 C ATOM 292 O GLY A 27 4.743 9.980 6.152 1.00 0.00 O ATOM 0 H GLY A 27 8.604 10.711 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.160 11.498 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.038 12.094 5.845 1.00 0.00 H new ATOM 296 N VAL A 28 6.692 8.862 6.180 1.00 0.00 N ATOM 297 CA VAL A 28 6.048 7.554 6.255 1.00 0.00 C ATOM 298 C VAL A 28 6.985 6.495 6.823 1.00 0.00 C ATOM 299 O VAL A 28 8.205 6.619 6.739 1.00 0.00 O ATOM 300 CB VAL A 28 5.563 7.081 4.868 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.612 8.090 4.255 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.745 6.828 3.941 1.00 0.00 C ATOM 0 H VAL A 28 7.712 8.835 6.168 1.00 0.00 H new ATOM 0 HA VAL A 28 5.193 7.675 6.920 1.00 0.00 H new ATOM 0 HB VAL A 28 5.024 6.143 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.284 7.734 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.746 8.215 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.121 9.047 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.380 6.495 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.315 7.749 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.386 6.058 4.371 1.00 0.00 H new ATOM 312 N SER A 29 6.399 5.437 7.374 1.00 0.00 N ATOM 313 CA SER A 29 7.170 4.332 7.925 1.00 0.00 C ATOM 314 C SER A 29 6.914 3.081 7.092 1.00 0.00 C ATOM 315 O SER A 29 5.794 2.580 7.049 1.00 0.00 O ATOM 316 CB SER A 29 6.795 4.082 9.388 1.00 0.00 C ATOM 317 OG SER A 29 5.559 4.693 9.712 1.00 0.00 O ATOM 0 H SER A 29 5.388 5.323 7.450 1.00 0.00 H new ATOM 0 HA SER A 29 8.230 4.585 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.733 3.009 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.578 4.472 10.038 1.00 0.00 H new ATOM 0 HG SER A 29 4.923 4.554 8.979 1.00 0.00 H new ATOM 323 N VAL A 30 7.947 2.602 6.411 1.00 0.00 N ATOM 324 CA VAL A 30 7.812 1.425 5.556 1.00 0.00 C ATOM 325 C VAL A 30 8.477 0.198 6.166 1.00 0.00 C ATOM 326 O VAL A 30 9.496 0.297 6.850 1.00 0.00 O ATOM 327 CB VAL A 30 8.407 1.673 4.156 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.380 2.330 3.247 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.670 2.517 4.242 1.00 0.00 C ATOM 0 H VAL A 30 8.883 3.006 6.432 1.00 0.00 H new ATOM 0 HA VAL A 30 6.742 1.237 5.466 1.00 0.00 H new ATOM 0 HB VAL A 30 8.677 0.708 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.819 2.497 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.510 1.680 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.074 3.285 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.070 2.677 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.434 3.479 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.412 2.000 4.850 1.00 0.00 H new ATOM 339 N LYS A 31 7.890 -0.966 5.899 1.00 0.00 N ATOM 340 CA LYS A 31 8.414 -2.230 6.400 1.00 0.00 C ATOM 341 C LYS A 31 8.120 -3.355 5.411 1.00 0.00 C ATOM 342 O LYS A 31 6.991 -3.503 4.943 1.00 0.00 O ATOM 343 CB LYS A 31 7.811 -2.554 7.770 1.00 0.00 C ATOM 344 CG LYS A 31 6.332 -2.902 7.725 1.00 0.00 C ATOM 345 CD LYS A 31 6.095 -4.371 8.040 1.00 0.00 C ATOM 346 CE LYS A 31 4.644 -4.763 7.816 1.00 0.00 C ATOM 347 NZ LYS A 31 4.101 -5.557 8.953 1.00 0.00 N ATOM 0 H LYS A 31 7.046 -1.058 5.334 1.00 0.00 H new ATOM 0 HA LYS A 31 9.494 -2.137 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.358 -3.389 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.953 -1.698 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.790 -2.283 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.933 -2.672 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.740 -4.987 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.371 -4.571 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.042 -3.864 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.562 -5.343 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.100 -5.776 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.638 -6.443 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.186 -5.008 9.832 1.00 0.00 H new ATOM 361 N GLY A 32 9.143 -4.138 5.087 1.00 0.00 N ATOM 362 CA GLY A 32 8.969 -5.227 4.144 1.00 0.00 C ATOM 363 C GLY A 32 8.815 -6.573 4.819 1.00 0.00 C ATOM 364 O GLY A 32 8.893 -6.677 6.044 1.00 0.00 O ATOM 0 H GLY A 32 10.087 -4.039 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.090 -5.032 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.827 -5.259 3.472 1.00 0.00 H new ATOM 368 N ASN A 33 8.589 -7.609 4.016 1.00 0.00 N ATOM 369 CA ASN A 33 8.415 -8.961 4.540 1.00 0.00 C ATOM 370 C ASN A 33 9.383 -9.940 3.897 1.00 0.00 C ATOM 371 O ASN A 33 10.245 -9.560 3.105 1.00 0.00 O ATOM 372 CB ASN A 33 6.982 -9.441 4.312 1.00 0.00 C ATOM 373 CG ASN A 33 6.655 -9.589 2.843 1.00 0.00 C ATOM 374 OD1 ASN A 33 7.513 -9.388 1.984 1.00 0.00 O ATOM 375 ND2 ASN A 33 5.407 -9.938 2.548 1.00 0.00 N ATOM 0 H ASN A 33 8.522 -7.539 3.001 1.00 0.00 H new ATOM 0 HA ASN A 33 8.623 -8.924 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.838 -10.398 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.288 -8.735 4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.125 -10.050 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.731 -10.094 3.296 1.00 0.00 H new ATOM 382 N ARG A 34 9.215 -11.211 4.242 1.00 0.00 N ATOM 383 CA ARG A 34 10.044 -12.277 3.704 1.00 0.00 C ATOM 384 C ARG A 34 9.204 -13.533 3.511 1.00 0.00 C ATOM 385 O ARG A 34 8.534 -13.986 4.439 1.00 0.00 O ATOM 386 CB ARG A 34 11.223 -12.563 4.637 1.00 0.00 C ATOM 387 CG ARG A 34 12.526 -11.923 4.188 1.00 0.00 C ATOM 388 CD ARG A 34 13.697 -12.378 5.044 1.00 0.00 C ATOM 389 NE ARG A 34 14.253 -11.284 5.837 1.00 0.00 N ATOM 390 CZ ARG A 34 15.009 -11.461 6.919 1.00 0.00 C ATOM 391 NH1 ARG A 34 15.299 -12.686 7.342 1.00 0.00 N ATOM 392 NH2 ARG A 34 15.478 -10.411 7.579 1.00 0.00 N ATOM 0 H ARG A 34 8.503 -11.528 4.900 1.00 0.00 H new ATOM 0 HA ARG A 34 10.441 -11.962 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.979 -12.205 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.364 -13.641 4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.716 -12.177 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.436 -10.838 4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.371 -13.178 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.475 -12.793 4.403 1.00 0.00 H new ATOM 0 HE ARG A 34 14.050 -10.328 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.942 -13.498 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.879 -12.815 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.260 -9.468 7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.057 -10.547 8.408 1.00 0.00 H new ATOM 406 N SER A 35 9.230 -14.073 2.294 1.00 0.00 N ATOM 407 CA SER A 35 8.457 -15.270 1.943 1.00 0.00 C ATOM 408 C SER A 35 8.228 -16.184 3.147 1.00 0.00 C ATOM 409 O SER A 35 9.101 -16.336 4.002 1.00 0.00 O ATOM 410 CB SER A 35 9.164 -16.054 0.834 1.00 0.00 C ATOM 411 OG SER A 35 9.143 -15.346 -0.393 1.00 0.00 O ATOM 0 H SER A 35 9.784 -13.698 1.524 1.00 0.00 H new ATOM 0 HA SER A 35 7.483 -14.928 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.196 -16.249 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.680 -17.022 0.706 1.00 0.00 H new ATOM 0 HG SER A 35 9.732 -14.566 -0.330 1.00 0.00 H new ATOM 417 N LYS A 36 7.045 -16.787 3.206 1.00 0.00 N ATOM 418 CA LYS A 36 6.692 -17.684 4.303 1.00 0.00 C ATOM 419 C LYS A 36 7.537 -18.954 4.276 1.00 0.00 C ATOM 420 O LYS A 36 7.920 -19.478 5.322 1.00 0.00 O ATOM 421 CB LYS A 36 5.209 -18.049 4.233 1.00 0.00 C ATOM 422 CG LYS A 36 4.292 -16.986 4.814 1.00 0.00 C ATOM 423 CD LYS A 36 3.762 -16.056 3.733 1.00 0.00 C ATOM 424 CE LYS A 36 2.740 -16.752 2.850 1.00 0.00 C ATOM 425 NZ LYS A 36 1.501 -17.097 3.601 1.00 0.00 N ATOM 0 H LYS A 36 6.312 -16.671 2.506 1.00 0.00 H new ATOM 0 HA LYS A 36 6.892 -17.160 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.935 -18.224 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.049 -18.986 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.457 -17.464 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.833 -16.406 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.308 -15.180 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.590 -15.699 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.487 -16.106 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.177 -17.660 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.747 -17.348 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.689 -17.905 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.200 -16.279 4.169 1.00 0.00 H new ATOM 439 N GLU A 37 7.823 -19.446 3.076 1.00 0.00 N ATOM 440 CA GLU A 37 8.618 -20.658 2.918 1.00 0.00 C ATOM 441 C GLU A 37 10.097 -20.372 3.145 1.00 0.00 C ATOM 442 O GLU A 37 10.708 -20.900 4.073 1.00 0.00 O ATOM 443 CB GLU A 37 8.410 -21.253 1.524 1.00 0.00 C ATOM 444 CG GLU A 37 8.826 -22.711 1.415 1.00 0.00 C ATOM 445 CD GLU A 37 9.785 -22.961 0.268 1.00 0.00 C ATOM 446 OE1 GLU A 37 9.348 -22.878 -0.899 1.00 0.00 O ATOM 447 OE2 GLU A 37 10.972 -23.243 0.537 1.00 0.00 O ATOM 0 H GLU A 37 7.517 -19.025 2.199 1.00 0.00 H new ATOM 0 HA GLU A 37 8.287 -21.379 3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.358 -21.163 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.977 -20.667 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.294 -23.022 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.938 -23.329 1.282 1.00 0.00 H new ATOM 454 N ASN A 38 10.667 -19.532 2.289 1.00 0.00 N ATOM 455 CA ASN A 38 12.074 -19.173 2.392 1.00 0.00 C ATOM 456 C ASN A 38 12.234 -17.704 2.769 1.00 0.00 C ATOM 457 O ASN A 38 11.247 -16.989 2.944 1.00 0.00 O ATOM 458 CB ASN A 38 12.790 -19.455 1.070 1.00 0.00 C ATOM 459 CG ASN A 38 12.027 -18.920 -0.126 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.955 -17.710 -0.339 1.00 0.00 O ATOM 461 ND2 ASN A 38 11.453 -19.822 -0.913 1.00 0.00 N ATOM 0 H ASN A 38 10.174 -19.087 1.515 1.00 0.00 H new ATOM 0 HA ASN A 38 12.523 -19.781 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.783 -19.006 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.929 -20.530 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.926 -19.522 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.539 -20.815 -0.698 1.00 0.00 H new ATOM 468 N HIS A 39 13.479 -17.259 2.891 1.00 0.00 N ATOM 469 CA HIS A 39 13.762 -15.873 3.247 1.00 0.00 C ATOM 470 C HIS A 39 13.817 -14.992 2.001 1.00 0.00 C ATOM 471 O HIS A 39 14.794 -14.279 1.772 1.00 0.00 O ATOM 472 CB HIS A 39 15.082 -15.781 4.015 1.00 0.00 C ATOM 473 CG HIS A 39 15.021 -16.389 5.383 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.995 -16.142 6.271 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.866 -17.238 6.013 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.212 -16.812 7.388 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.339 -17.485 7.257 1.00 0.00 N ATOM 0 H HIS A 39 14.308 -17.836 2.749 1.00 0.00 H new ATOM 0 HA HIS A 39 12.955 -15.515 3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.863 -16.278 3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.369 -14.733 4.104 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.194 -15.536 6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.783 -17.645 5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.575 -16.809 8.260 1.00 0.00 H new ATOM 486 N ALA A 40 12.759 -15.047 1.199 1.00 0.00 N ATOM 487 CA ALA A 40 12.680 -14.255 -0.022 1.00 0.00 C ATOM 488 C ALA A 40 11.747 -13.064 0.157 1.00 0.00 C ATOM 489 O ALA A 40 10.525 -13.214 0.171 1.00 0.00 O ATOM 490 CB ALA A 40 12.217 -15.120 -1.184 1.00 0.00 C ATOM 0 H ALA A 40 11.943 -15.633 1.374 1.00 0.00 H new ATOM 0 HA ALA A 40 13.677 -13.873 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.163 -14.515 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.924 -15.936 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.232 -15.530 -0.962 1.00 0.00 H new ATOM 496 N ASP A 41 12.334 -11.879 0.293 1.00 0.00 N ATOM 497 CA ASP A 41 11.562 -10.654 0.471 1.00 0.00 C ATOM 498 C ASP A 41 10.448 -10.538 -0.565 1.00 0.00 C ATOM 499 O ASP A 41 10.647 -10.852 -1.740 1.00 0.00 O ATOM 500 CB ASP A 41 12.484 -9.441 0.365 1.00 0.00 C ATOM 501 CG ASP A 41 13.238 -9.411 -0.950 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.216 -10.176 -1.091 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.852 -8.624 -1.839 1.00 0.00 O ATOM 0 H ASP A 41 13.345 -11.741 0.283 1.00 0.00 H new ATOM 0 HA ASP A 41 11.105 -10.689 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.896 -8.529 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.196 -9.454 1.190 1.00 0.00 H new ATOM 508 N LEU A 42 9.282 -10.071 -0.131 1.00 0.00 N ATOM 509 CA LEU A 42 8.150 -9.902 -1.033 1.00 0.00 C ATOM 510 C LEU A 42 7.958 -8.429 -1.390 1.00 0.00 C ATOM 511 O LEU A 42 7.275 -8.101 -2.359 1.00 0.00 O ATOM 512 CB LEU A 42 6.868 -10.466 -0.410 1.00 0.00 C ATOM 513 CG LEU A 42 7.047 -11.749 0.413 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.695 -12.312 0.827 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.831 -12.779 -0.384 1.00 0.00 C ATOM 0 H LEU A 42 9.097 -9.804 0.836 1.00 0.00 H new ATOM 0 HA LEU A 42 8.364 -10.456 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.429 -9.702 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.152 -10.663 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 42 7.607 -11.507 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.842 -13.221 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.164 -11.576 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.109 -12.542 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.951 -13.685 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.292 -13.016 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.812 -12.376 -0.634 1.00 0.00 H new ATOM 527 N GLY A 43 8.576 -7.543 -0.607 1.00 0.00 N ATOM 528 CA GLY A 43 8.464 -6.120 -0.869 1.00 0.00 C ATOM 529 C GLY A 43 8.257 -5.299 0.390 1.00 0.00 C ATOM 530 O GLY A 43 8.232 -5.840 1.499 1.00 0.00 O ATOM 0 H GLY A 43 9.149 -7.787 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.367 -5.777 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.631 -5.946 -1.550 1.00 0.00 H new ATOM 534 N ILE A 44 8.104 -3.987 0.211 1.00 0.00 N ATOM 535 CA ILE A 44 7.891 -3.071 1.327 1.00 0.00 C ATOM 536 C ILE A 44 6.518 -2.416 1.231 1.00 0.00 C ATOM 537 O ILE A 44 6.096 -1.991 0.156 1.00 0.00 O ATOM 538 CB ILE A 44 8.961 -1.959 1.367 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.323 -1.512 -0.053 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.199 -2.430 2.120 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.440 -2.319 -0.681 1.00 0.00 C ATOM 0 H ILE A 44 8.124 -3.534 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 44 7.961 -3.665 2.238 1.00 0.00 H new ATOM 0 HB ILE A 44 8.548 -1.102 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.437 -1.583 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.614 -0.462 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.941 -1.631 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.925 -2.692 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.618 -3.304 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.640 -1.944 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.341 -2.228 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.145 -3.367 -0.737 1.00 0.00 H new ATOM 553 N PHE A 45 5.822 -2.332 2.360 1.00 0.00 N ATOM 554 CA PHE A 45 4.495 -1.723 2.395 1.00 0.00 C ATOM 555 C PHE A 45 4.428 -0.631 3.455 1.00 0.00 C ATOM 556 O PHE A 45 5.034 -0.747 4.521 1.00 0.00 O ATOM 557 CB PHE A 45 3.413 -2.778 2.663 1.00 0.00 C ATOM 558 CG PHE A 45 3.947 -4.171 2.840 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.217 -4.967 1.739 1.00 0.00 C ATOM 560 CD2 PHE A 45 4.179 -4.681 4.107 1.00 0.00 C ATOM 561 CE1 PHE A 45 4.711 -6.247 1.900 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.672 -5.960 4.271 1.00 0.00 C ATOM 563 CZ PHE A 45 4.938 -6.743 3.167 1.00 0.00 C ATOM 0 H PHE A 45 6.153 -2.677 3.261 1.00 0.00 H new ATOM 0 HA PHE A 45 4.311 -1.276 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.859 -2.496 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.704 -2.774 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.040 -4.583 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.972 -4.072 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.919 -6.859 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.849 -6.347 5.263 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.324 -7.744 3.294 1.00 0.00 H new ATOM 573 N VAL A 46 3.684 0.425 3.154 1.00 0.00 N ATOM 574 CA VAL A 46 3.528 1.539 4.080 1.00 0.00 C ATOM 575 C VAL A 46 2.975 1.059 5.417 1.00 0.00 C ATOM 576 O VAL A 46 1.839 0.599 5.500 1.00 0.00 O ATOM 577 CB VAL A 46 2.594 2.620 3.499 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.534 3.829 4.418 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.050 3.025 2.106 1.00 0.00 C ATOM 0 H VAL A 46 3.178 0.534 2.275 1.00 0.00 H new ATOM 0 HA VAL A 46 4.516 1.973 4.235 1.00 0.00 H new ATOM 0 HB VAL A 46 1.590 2.202 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.870 4.579 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.156 3.525 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.533 4.251 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.380 3.788 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.064 3.423 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.034 2.154 1.450 1.00 0.00 H new ATOM 589 N LYS A 47 3.792 1.167 6.460 1.00 0.00 N ATOM 590 CA LYS A 47 3.386 0.745 7.795 1.00 0.00 C ATOM 591 C LYS A 47 2.581 1.840 8.483 1.00 0.00 C ATOM 592 O LYS A 47 1.614 1.564 9.192 1.00 0.00 O ATOM 593 CB LYS A 47 4.613 0.387 8.637 1.00 0.00 C ATOM 594 CG LYS A 47 4.282 -0.006 10.068 1.00 0.00 C ATOM 595 CD LYS A 47 3.757 -1.429 10.149 1.00 0.00 C ATOM 596 CE LYS A 47 2.926 -1.647 11.403 1.00 0.00 C ATOM 597 NZ LYS A 47 2.293 -2.994 11.423 1.00 0.00 N ATOM 0 H LYS A 47 4.739 1.543 6.406 1.00 0.00 H new ATOM 0 HA LYS A 47 2.756 -0.139 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.143 -0.436 8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.293 1.239 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.174 0.089 10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.538 0.681 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.152 -1.645 9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.594 -2.127 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.559 -1.530 12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.152 -0.882 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.735 -3.103 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.669 -3.097 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.032 -3.725 11.391 1.00 0.00 H new ATOM 611 N SER A 48 2.987 3.085 8.266 1.00 0.00 N ATOM 612 CA SER A 48 2.301 4.225 8.863 1.00 0.00 C ATOM 613 C SER A 48 2.771 5.535 8.241 1.00 0.00 C ATOM 614 O SER A 48 3.951 5.876 8.301 1.00 0.00 O ATOM 615 CB SER A 48 2.533 4.252 10.376 1.00 0.00 C ATOM 616 OG SER A 48 1.470 3.617 11.066 1.00 0.00 O ATOM 0 H SER A 48 3.786 3.331 7.682 1.00 0.00 H new ATOM 0 HA SER A 48 1.234 4.116 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.473 3.753 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.626 5.284 10.715 1.00 0.00 H new ATOM 0 HG SER A 48 1.257 2.767 10.627 1.00 0.00 H new ATOM 622 N ILE A 49 1.837 6.268 7.645 1.00 0.00 N ATOM 623 CA ILE A 49 2.156 7.542 7.013 1.00 0.00 C ATOM 624 C ILE A 49 2.122 8.679 8.029 1.00 0.00 C ATOM 625 O ILE A 49 1.094 8.936 8.656 1.00 0.00 O ATOM 626 CB ILE A 49 1.178 7.858 5.864 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.182 6.724 4.842 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.531 9.182 5.199 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.096 6.849 3.796 1.00 0.00 C ATOM 0 H ILE A 49 0.854 6.002 7.586 1.00 0.00 H new ATOM 0 HA ILE A 49 3.163 7.454 6.605 1.00 0.00 H new ATOM 0 HB ILE A 49 0.175 7.949 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.152 6.697 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.064 5.775 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.827 9.383 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.478 9.984 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.541 9.128 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.159 6.009 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.880 6.846 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.225 7.782 3.247 1.00 0.00 H new ATOM 641 N ILE A 50 3.252 9.359 8.181 1.00 0.00 N ATOM 642 CA ILE A 50 3.355 10.473 9.115 1.00 0.00 C ATOM 643 C ILE A 50 2.318 11.546 8.789 1.00 0.00 C ATOM 644 O ILE A 50 2.480 12.307 7.836 1.00 0.00 O ATOM 645 CB ILE A 50 4.779 11.088 9.094 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.731 10.230 9.928 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.782 12.525 9.610 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.889 9.656 9.142 1.00 0.00 C ATOM 0 H ILE A 50 4.111 9.158 7.669 1.00 0.00 H new ATOM 0 HA ILE A 50 3.161 10.087 10.116 1.00 0.00 H new ATOM 0 HB ILE A 50 5.118 11.107 8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.124 10.833 10.747 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.168 9.411 10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.797 12.920 9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.135 13.138 8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.416 12.544 10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.518 9.060 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.507 9.025 8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.478 10.468 8.716 1.00 0.00 H new ATOM 660 N ASN A 51 1.257 11.597 9.587 1.00 0.00 N ATOM 661 CA ASN A 51 0.195 12.576 9.386 1.00 0.00 C ATOM 662 C ASN A 51 0.748 13.992 9.492 1.00 0.00 C ATOM 663 O ASN A 51 0.678 14.623 10.546 1.00 0.00 O ATOM 664 CB ASN A 51 -0.925 12.373 10.408 1.00 0.00 C ATOM 665 CG ASN A 51 -0.396 12.194 11.816 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.176 13.168 12.538 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.188 10.946 12.217 1.00 0.00 N ATOM 0 H ASN A 51 1.110 10.972 10.379 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.215 12.433 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.597 13.231 10.382 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.513 11.498 10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.167 10.764 13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.384 10.168 11.587 1.00 0.00 H new ATOM 674 N GLY A 52 1.309 14.476 8.392 1.00 0.00 N ATOM 675 CA GLY A 52 1.883 15.804 8.364 1.00 0.00 C ATOM 676 C GLY A 52 3.051 15.888 7.404 1.00 0.00 C ATOM 677 O GLY A 52 3.334 16.952 6.852 1.00 0.00 O ATOM 0 H GLY A 52 1.376 13.966 7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.119 16.525 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.214 16.079 9.365 1.00 0.00 H new ATOM 681 N GLY A 53 3.729 14.761 7.201 1.00 0.00 N ATOM 682 CA GLY A 53 4.859 14.732 6.299 1.00 0.00 C ATOM 683 C GLY A 53 4.455 14.953 4.853 1.00 0.00 C ATOM 684 O GLY A 53 3.287 15.208 4.556 1.00 0.00 O ATOM 0 H GLY A 53 3.513 13.869 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.575 15.499 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.366 13.771 6.388 1.00 0.00 H new ATOM 688 N ALA A 54 5.428 14.861 3.957 1.00 0.00 N ATOM 689 CA ALA A 54 5.189 15.058 2.533 1.00 0.00 C ATOM 690 C ALA A 54 4.215 14.033 1.965 1.00 0.00 C ATOM 691 O ALA A 54 3.377 14.360 1.123 1.00 0.00 O ATOM 692 CB ALA A 54 6.504 15.004 1.780 1.00 0.00 C ATOM 0 H ALA A 54 6.397 14.650 4.193 1.00 0.00 H new ATOM 0 HA ALA A 54 4.733 16.040 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.320 15.152 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.166 15.789 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.973 14.032 1.936 1.00 0.00 H new ATOM 698 N ALA A 55 4.335 12.791 2.415 1.00 0.00 N ATOM 699 CA ALA A 55 3.466 11.721 1.933 1.00 0.00 C ATOM 700 C ALA A 55 2.017 11.964 2.320 1.00 0.00 C ATOM 701 O ALA A 55 1.116 11.874 1.488 1.00 0.00 O ATOM 702 CB ALA A 55 3.931 10.379 2.465 1.00 0.00 C ATOM 0 H ALA A 55 5.022 12.498 3.110 1.00 0.00 H new ATOM 0 HA ALA A 55 3.526 11.712 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.272 9.593 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.949 10.187 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.906 10.391 3.555 1.00 0.00 H new ATOM 708 N SER A 56 1.800 12.279 3.589 1.00 0.00 N ATOM 709 CA SER A 56 0.455 12.541 4.085 1.00 0.00 C ATOM 710 C SER A 56 -0.126 13.771 3.399 1.00 0.00 C ATOM 711 O SER A 56 -1.339 13.893 3.236 1.00 0.00 O ATOM 712 CB SER A 56 0.475 12.741 5.600 1.00 0.00 C ATOM 713 OG SER A 56 -0.072 11.619 6.271 1.00 0.00 O ATOM 0 H SER A 56 2.534 12.359 4.292 1.00 0.00 H new ATOM 0 HA SER A 56 -0.174 11.681 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.499 12.905 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.092 13.635 5.859 1.00 0.00 H new ATOM 0 HG SER A 56 -1.037 11.746 6.388 1.00 0.00 H new ATOM 719 N LYS A 57 0.757 14.677 2.997 1.00 0.00 N ATOM 720 CA LYS A 57 0.354 15.901 2.323 1.00 0.00 C ATOM 721 C LYS A 57 0.008 15.631 0.865 1.00 0.00 C ATOM 722 O LYS A 57 -0.825 16.323 0.276 1.00 0.00 O ATOM 723 CB LYS A 57 1.464 16.926 2.423 1.00 0.00 C ATOM 724 CG LYS A 57 1.553 17.529 3.807 1.00 0.00 C ATOM 725 CD LYS A 57 2.687 18.514 3.899 1.00 0.00 C ATOM 726 CE LYS A 57 2.198 19.933 3.669 1.00 0.00 C ATOM 727 NZ LYS A 57 3.182 20.951 4.135 1.00 0.00 N ATOM 0 H LYS A 57 1.764 14.584 3.128 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.539 16.291 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.415 16.457 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.294 17.717 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.615 18.027 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.694 16.738 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.156 18.442 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.450 18.265 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.001 20.080 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.252 20.079 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.806 21.904 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.351 20.829 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.077 20.831 3.619 1.00 0.00 H new ATOM 741 N ASP A 58 0.645 14.614 0.289 1.00 0.00 N ATOM 742 CA ASP A 58 0.398 14.245 -1.101 1.00 0.00 C ATOM 743 C ASP A 58 -1.083 13.964 -1.321 1.00 0.00 C ATOM 744 O ASP A 58 -1.620 14.208 -2.402 1.00 0.00 O ATOM 745 CB ASP A 58 1.227 13.017 -1.478 1.00 0.00 C ATOM 746 CG ASP A 58 1.753 13.091 -2.899 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.648 14.172 -3.517 1.00 0.00 O ATOM 748 OD2 ASP A 58 2.273 12.068 -3.393 1.00 0.00 O ATOM 0 H ASP A 58 1.335 14.032 0.764 1.00 0.00 H new ATOM 0 HA ASP A 58 0.694 15.079 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.065 12.921 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.617 12.121 -1.365 1.00 0.00 H new ATOM 753 N GLY A 59 -1.739 13.457 -0.282 1.00 0.00 N ATOM 754 CA GLY A 59 -3.159 13.160 -0.369 1.00 0.00 C ATOM 755 C GLY A 59 -3.466 11.925 -1.198 1.00 0.00 C ATOM 756 O GLY A 59 -4.619 11.692 -1.562 1.00 0.00 O ATOM 0 H GLY A 59 -1.313 13.246 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.556 13.022 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.676 14.017 -0.801 1.00 0.00 H new ATOM 760 N ARG A 60 -2.444 11.127 -1.498 1.00 0.00 N ATOM 761 CA ARG A 60 -2.638 9.914 -2.287 1.00 0.00 C ATOM 762 C ARG A 60 -1.876 8.732 -1.688 1.00 0.00 C ATOM 763 O ARG A 60 -1.818 7.656 -2.283 1.00 0.00 O ATOM 764 CB ARG A 60 -2.194 10.142 -3.731 1.00 0.00 C ATOM 765 CG ARG A 60 -0.740 10.558 -3.861 1.00 0.00 C ATOM 766 CD ARG A 60 -0.519 11.428 -5.088 1.00 0.00 C ATOM 767 NE ARG A 60 -0.405 12.840 -4.737 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.135 13.803 -5.617 1.00 0.00 C ATOM 769 NH1 ARG A 60 0.028 13.512 -6.902 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.028 15.061 -5.210 1.00 0.00 N ATOM 0 H ARG A 60 -1.481 11.297 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.701 9.675 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.354 9.226 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.824 10.910 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.435 11.102 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.110 9.670 -3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.387 11.107 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.347 11.292 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.540 13.105 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.053 12.546 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.235 14.254 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.152 15.290 -4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.179 15.799 -5.883 1.00 0.00 H new ATOM 784 N LEU A 61 -1.299 8.937 -0.507 1.00 0.00 N ATOM 785 CA LEU A 61 -0.547 7.885 0.168 1.00 0.00 C ATOM 786 C LEU A 61 -1.408 7.214 1.234 1.00 0.00 C ATOM 787 O LEU A 61 -2.071 7.886 2.024 1.00 0.00 O ATOM 788 CB LEU A 61 0.720 8.464 0.799 1.00 0.00 C ATOM 789 CG LEU A 61 2.017 8.104 0.071 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.767 9.361 -0.348 1.00 0.00 C ATOM 791 CD2 LEU A 61 2.897 7.220 0.946 1.00 0.00 C ATOM 0 H LEU A 61 -1.338 9.821 0.001 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.261 7.135 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.629 9.550 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.789 8.115 1.830 1.00 0.00 H new ATOM 0 HG LEU A 61 1.758 7.546 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.686 9.082 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.141 9.952 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.012 9.950 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.814 6.975 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.145 7.750 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.363 6.302 1.189 1.00 0.00 H new ATOM 803 N ARG A 62 -1.392 5.887 1.250 1.00 0.00 N ATOM 804 CA ARG A 62 -2.173 5.128 2.218 1.00 0.00 C ATOM 805 C ARG A 62 -1.375 3.945 2.753 1.00 0.00 C ATOM 806 O ARG A 62 -0.632 3.300 2.015 1.00 0.00 O ATOM 807 CB ARG A 62 -3.474 4.634 1.582 1.00 0.00 C ATOM 808 CG ARG A 62 -4.398 5.755 1.136 1.00 0.00 C ATOM 809 CD ARG A 62 -4.145 6.144 -0.313 1.00 0.00 C ATOM 810 NE ARG A 62 -4.376 5.029 -1.228 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.536 5.169 -2.541 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.499 6.374 -3.096 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.733 4.102 -3.302 1.00 0.00 N ATOM 0 H ARG A 62 -0.847 5.315 0.605 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.412 5.789 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.234 4.009 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.001 4.003 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.435 5.441 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.253 6.624 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.795 6.976 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.118 6.494 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.417 4.088 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.347 7.199 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.622 6.475 -4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.762 3.173 -2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.856 4.209 -4.309 1.00 0.00 H new ATOM 827 N VAL A 63 -1.537 3.665 4.041 1.00 0.00 N ATOM 828 CA VAL A 63 -0.835 2.558 4.676 1.00 0.00 C ATOM 829 C VAL A 63 -1.181 1.234 4.000 1.00 0.00 C ATOM 830 O VAL A 63 -2.296 1.051 3.510 1.00 0.00 O ATOM 831 CB VAL A 63 -1.169 2.478 6.180 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.394 1.357 6.855 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.879 3.810 6.855 1.00 0.00 C ATOM 0 H VAL A 63 -2.149 4.190 4.666 1.00 0.00 H new ATOM 0 HA VAL A 63 0.234 2.742 4.565 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.232 2.257 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.649 1.325 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.652 0.405 6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.675 1.537 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.119 3.740 7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.176 4.055 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.486 4.590 6.396 1.00 0.00 H new ATOM 843 N ASN A 64 -0.211 0.317 3.973 1.00 0.00 N ATOM 844 CA ASN A 64 -0.384 -1.001 3.355 1.00 0.00 C ATOM 845 C ASN A 64 -0.100 -0.952 1.854 1.00 0.00 C ATOM 846 O ASN A 64 -0.412 -1.895 1.127 1.00 0.00 O ATOM 847 CB ASN A 64 -1.794 -1.553 3.602 1.00 0.00 C ATOM 848 CG ASN A 64 -2.257 -1.347 5.031 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.517 -1.609 5.979 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.487 -0.873 5.191 1.00 0.00 N ATOM 0 H ASN A 64 0.714 0.466 4.377 1.00 0.00 H new ATOM 0 HA ASN A 64 0.337 -1.671 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.495 -1.067 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.810 -2.618 3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.853 -0.712 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.065 -0.670 4.376 1.00 0.00 H new ATOM 857 N ASP A 65 0.499 0.145 1.397 1.00 0.00 N ATOM 858 CA ASP A 65 0.829 0.300 -0.014 1.00 0.00 C ATOM 859 C ASP A 65 2.176 -0.347 -0.325 1.00 0.00 C ATOM 860 O ASP A 65 3.224 0.146 0.091 1.00 0.00 O ATOM 861 CB ASP A 65 0.859 1.783 -0.393 1.00 0.00 C ATOM 862 CG ASP A 65 -0.374 2.206 -1.169 1.00 0.00 C ATOM 863 OD1 ASP A 65 -0.933 1.363 -1.901 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.780 3.380 -1.044 1.00 0.00 O ATOM 0 H ASP A 65 0.764 0.937 1.983 1.00 0.00 H new ATOM 0 HA ASP A 65 0.059 -0.199 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.940 2.385 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.748 1.985 -0.990 1.00 0.00 H new ATOM 869 N GLN A 66 2.137 -1.458 -1.055 1.00 0.00 N ATOM 870 CA GLN A 66 3.350 -2.181 -1.422 1.00 0.00 C ATOM 871 C GLN A 66 4.123 -1.431 -2.503 1.00 0.00 C ATOM 872 O GLN A 66 3.678 -1.340 -3.648 1.00 0.00 O ATOM 873 CB GLN A 66 2.995 -3.592 -1.903 1.00 0.00 C ATOM 874 CG GLN A 66 4.141 -4.323 -2.589 1.00 0.00 C ATOM 875 CD GLN A 66 5.305 -4.590 -1.656 1.00 0.00 C ATOM 876 OE1 GLN A 66 6.225 -3.781 -1.546 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.271 -5.732 -0.979 1.00 0.00 N ATOM 0 H GLN A 66 1.276 -1.878 -1.405 1.00 0.00 H new ATOM 0 HA GLN A 66 3.987 -2.257 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.662 -4.182 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.154 -3.528 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.776 -5.269 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.488 -3.732 -3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.488 -6.374 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.028 -5.967 -0.337 1.00 0.00 H new ATOM 886 N LEU A 67 5.287 -0.900 -2.138 1.00 0.00 N ATOM 887 CA LEU A 67 6.120 -0.166 -3.083 1.00 0.00 C ATOM 888 C LEU A 67 6.643 -1.094 -4.172 1.00 0.00 C ATOM 889 O LEU A 67 6.991 -2.244 -3.906 1.00 0.00 O ATOM 890 CB LEU A 67 7.294 0.499 -2.362 1.00 0.00 C ATOM 891 CG LEU A 67 6.913 1.413 -1.198 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.094 1.596 -0.257 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.431 2.759 -1.717 1.00 0.00 C ATOM 0 H LEU A 67 5.673 -0.965 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 67 5.505 0.607 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.958 -0.280 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.862 1.080 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 67 6.100 0.946 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.805 2.250 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.398 0.627 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.926 2.043 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.163 3.399 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.225 3.232 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.558 2.612 -2.353 1.00 0.00 H new ATOM 905 N ILE A 68 6.694 -0.588 -5.399 1.00 0.00 N ATOM 906 CA ILE A 68 7.175 -1.377 -6.525 1.00 0.00 C ATOM 907 C ILE A 68 8.237 -0.625 -7.319 1.00 0.00 C ATOM 908 O ILE A 68 9.224 -1.211 -7.763 1.00 0.00 O ATOM 909 CB ILE A 68 6.022 -1.768 -7.470 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.867 -2.376 -6.672 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.512 -2.743 -8.531 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.674 -2.749 -7.524 1.00 0.00 C ATOM 0 H ILE A 68 6.409 0.362 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 68 7.617 -2.282 -6.107 1.00 0.00 H new ATOM 0 HB ILE A 68 5.661 -0.870 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.224 -3.265 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.550 -1.666 -5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.686 -3.009 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.306 -2.277 -9.115 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.896 -3.642 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.894 -3.174 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.291 -1.859 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.976 -3.483 -8.271 1.00 0.00 H new ATOM 924 N ALA A 69 8.034 0.678 -7.496 1.00 0.00 N ATOM 925 CA ALA A 69 8.982 1.498 -8.237 1.00 0.00 C ATOM 926 C ALA A 69 9.040 2.915 -7.679 1.00 0.00 C ATOM 927 O ALA A 69 8.023 3.604 -7.591 1.00 0.00 O ATOM 928 CB ALA A 69 8.617 1.522 -9.712 1.00 0.00 C ATOM 0 H ALA A 69 7.225 1.185 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 69 9.971 1.054 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.334 2.139 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.638 0.507 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.617 1.938 -9.833 1.00 0.00 H new ATOM 934 N VAL A 70 10.242 3.341 -7.307 1.00 0.00 N ATOM 935 CA VAL A 70 10.449 4.678 -6.762 1.00 0.00 C ATOM 936 C VAL A 70 11.429 5.462 -7.631 1.00 0.00 C ATOM 937 O VAL A 70 12.542 5.005 -7.891 1.00 0.00 O ATOM 938 CB VAL A 70 10.974 4.614 -5.310 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.393 4.064 -5.268 1.00 0.00 C ATOM 940 CG2 VAL A 70 10.904 5.986 -4.652 1.00 0.00 C ATOM 0 H VAL A 70 11.090 2.778 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 70 9.486 5.188 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 70 10.334 3.934 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.739 4.029 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.406 3.059 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.051 4.710 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.278 5.919 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.514 6.692 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.870 6.330 -4.638 1.00 0.00 H new ATOM 950 N ASN A 71 11.007 6.636 -8.089 1.00 0.00 N ATOM 951 CA ASN A 71 11.851 7.470 -8.943 1.00 0.00 C ATOM 952 C ASN A 71 12.195 6.735 -10.234 1.00 0.00 C ATOM 953 O ASN A 71 13.338 6.762 -10.692 1.00 0.00 O ATOM 954 CB ASN A 71 13.138 7.860 -8.211 1.00 0.00 C ATOM 955 CG ASN A 71 12.913 8.941 -7.177 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.337 10.083 -7.350 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.242 8.583 -6.092 1.00 0.00 N ATOM 0 H ASN A 71 10.089 7.032 -7.885 1.00 0.00 H new ATOM 0 HA ASN A 71 11.296 8.376 -9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.557 6.979 -7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.875 8.204 -8.937 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.058 9.266 -5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.909 7.624 -5.991 1.00 0.00 H new ATOM 964 N GLY A 72 11.201 6.071 -10.811 1.00 0.00 N ATOM 965 CA GLY A 72 11.421 5.329 -12.036 1.00 0.00 C ATOM 966 C GLY A 72 12.378 4.169 -11.840 1.00 0.00 C ATOM 967 O GLY A 72 12.984 3.686 -12.797 1.00 0.00 O ATOM 0 H GLY A 72 10.247 6.034 -10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.468 4.952 -12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.817 6.000 -12.799 1.00 0.00 H new ATOM 971 N GLU A 73 12.516 3.725 -10.593 1.00 0.00 N ATOM 972 CA GLU A 73 13.411 2.619 -10.269 1.00 0.00 C ATOM 973 C GLU A 73 12.671 1.534 -9.491 1.00 0.00 C ATOM 974 O GLU A 73 12.166 1.778 -8.397 1.00 0.00 O ATOM 975 CB GLU A 73 14.609 3.119 -9.454 1.00 0.00 C ATOM 976 CG GLU A 73 14.954 4.581 -9.699 1.00 0.00 C ATOM 977 CD GLU A 73 16.449 4.835 -9.701 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.076 4.696 -8.630 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.991 5.175 -10.773 1.00 0.00 O ATOM 0 H GLU A 73 12.020 4.114 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 73 13.773 2.193 -11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.399 2.978 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.479 2.506 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.535 4.894 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.486 5.195 -8.929 1.00 0.00 H new ATOM 986 N SER A 74 12.610 0.337 -10.066 1.00 0.00 N ATOM 987 CA SER A 74 11.930 -0.783 -9.426 1.00 0.00 C ATOM 988 C SER A 74 12.571 -1.114 -8.082 1.00 0.00 C ATOM 989 O SER A 74 13.758 -0.867 -7.870 1.00 0.00 O ATOM 990 CB SER A 74 11.962 -2.011 -10.336 1.00 0.00 C ATOM 991 OG SER A 74 11.600 -3.183 -9.626 1.00 0.00 O ATOM 0 H SER A 74 13.023 0.118 -10.973 1.00 0.00 H new ATOM 0 HA SER A 74 10.893 -0.495 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.280 -1.864 -11.174 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.961 -2.130 -10.756 1.00 0.00 H new ATOM 0 HG SER A 74 11.627 -3.953 -10.231 1.00 0.00 H new ATOM 997 N LEU A 75 11.775 -1.671 -7.175 1.00 0.00 N ATOM 998 CA LEU A 75 12.263 -2.033 -5.848 1.00 0.00 C ATOM 999 C LEU A 75 12.144 -3.536 -5.606 1.00 0.00 C ATOM 1000 O LEU A 75 12.955 -4.123 -4.890 1.00 0.00 O ATOM 1001 CB LEU A 75 11.484 -1.275 -4.773 1.00 0.00 C ATOM 1002 CG LEU A 75 11.693 0.241 -4.767 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.560 0.930 -4.022 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.036 0.588 -4.142 1.00 0.00 C ATOM 0 H LEU A 75 10.790 -1.882 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 75 13.316 -1.758 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.421 -1.479 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.766 -1.669 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 75 11.692 0.597 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.724 2.008 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.613 0.705 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.531 0.572 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.170 1.670 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.065 0.222 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.836 0.122 -4.717 1.00 0.00 H new ATOM 1016 N LEU A 76 11.127 -4.153 -6.201 1.00 0.00 N ATOM 1017 CA LEU A 76 10.902 -5.587 -6.043 1.00 0.00 C ATOM 1018 C LEU A 76 12.152 -6.386 -6.406 1.00 0.00 C ATOM 1019 O LEU A 76 12.386 -7.468 -5.867 1.00 0.00 O ATOM 1020 CB LEU A 76 9.723 -6.036 -6.911 1.00 0.00 C ATOM 1021 CG LEU A 76 8.393 -6.183 -6.170 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.225 -5.990 -7.125 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.310 -7.541 -5.490 1.00 0.00 C ATOM 0 H LEU A 76 10.446 -3.683 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 76 10.669 -5.777 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.593 -5.318 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.973 -6.992 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 76 8.339 -5.411 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.287 -6.098 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.276 -4.994 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.274 -6.739 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.357 -7.629 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.387 -8.329 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.127 -7.640 -4.775 1.00 0.00 H new ATOM 1035 N GLY A 77 12.949 -5.848 -7.321 1.00 0.00 N ATOM 1036 CA GLY A 77 14.164 -6.525 -7.738 1.00 0.00 C ATOM 1037 C GLY A 77 15.221 -6.560 -6.651 1.00 0.00 C ATOM 1038 O GLY A 77 16.218 -7.272 -6.771 1.00 0.00 O ATOM 0 H GLY A 77 12.776 -4.955 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.922 -7.545 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.570 -6.024 -8.617 1.00 0.00 H new ATOM 1042 N LYS A 78 15.010 -5.788 -5.587 1.00 0.00 N ATOM 1043 CA LYS A 78 15.958 -5.736 -4.481 1.00 0.00 C ATOM 1044 C LYS A 78 15.273 -6.029 -3.155 1.00 0.00 C ATOM 1045 O LYS A 78 14.063 -5.855 -3.009 1.00 0.00 O ATOM 1046 CB LYS A 78 16.643 -4.371 -4.431 1.00 0.00 C ATOM 1047 CG LYS A 78 15.676 -3.204 -4.323 1.00 0.00 C ATOM 1048 CD LYS A 78 16.409 -1.873 -4.306 1.00 0.00 C ATOM 1049 CE LYS A 78 17.230 -1.671 -5.568 1.00 0.00 C ATOM 1050 NZ LYS A 78 16.392 -1.745 -6.795 1.00 0.00 N ATOM 0 H LYS A 78 14.191 -5.191 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 78 16.712 -6.505 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.323 -4.347 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.250 -4.246 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.981 -3.227 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.082 -3.305 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.688 -1.061 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.063 -1.828 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.727 -0.702 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.012 -2.428 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.888 -1.281 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.216 -2.741 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.486 -1.264 -6.626 1.00 0.00 H new ATOM 1064 N ALA A 79 16.066 -6.484 -2.197 1.00 0.00 N ATOM 1065 CA ALA A 79 15.572 -6.823 -0.873 1.00 0.00 C ATOM 1066 C ALA A 79 14.785 -5.674 -0.248 1.00 0.00 C ATOM 1067 O ALA A 79 14.889 -4.528 -0.685 1.00 0.00 O ATOM 1068 CB ALA A 79 16.737 -7.217 0.014 1.00 0.00 C ATOM 0 H ALA A 79 17.069 -6.628 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 79 14.885 -7.664 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.368 -7.472 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.246 -8.080 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.435 -6.384 0.089 1.00 0.00 H new ATOM 1074 N ASN A 80 13.997 -5.991 0.778 1.00 0.00 N ATOM 1075 CA ASN A 80 13.187 -4.986 1.464 1.00 0.00 C ATOM 1076 C ASN A 80 14.049 -3.825 1.950 1.00 0.00 C ATOM 1077 O ASN A 80 13.808 -2.672 1.596 1.00 0.00 O ATOM 1078 CB ASN A 80 12.459 -5.607 2.658 1.00 0.00 C ATOM 1079 CG ASN A 80 11.791 -6.923 2.319 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.800 -6.961 1.591 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.333 -8.014 2.849 1.00 0.00 N ATOM 0 H ASN A 80 13.902 -6.935 1.152 1.00 0.00 H new ATOM 0 HA ASN A 80 12.456 -4.609 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.170 -5.764 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.708 -4.907 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.927 -8.930 2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.155 -7.936 3.447 1.00 0.00 H new ATOM 1088 N GLN A 81 15.047 -4.139 2.768 1.00 0.00 N ATOM 1089 CA GLN A 81 15.940 -3.119 3.309 1.00 0.00 C ATOM 1090 C GLN A 81 16.655 -2.369 2.192 1.00 0.00 C ATOM 1091 O GLN A 81 16.894 -1.164 2.292 1.00 0.00 O ATOM 1092 CB GLN A 81 16.963 -3.746 4.255 1.00 0.00 C ATOM 1093 CG GLN A 81 17.681 -4.943 3.666 1.00 0.00 C ATOM 1094 CD GLN A 81 18.809 -4.547 2.738 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.386 -3.467 2.865 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.133 -5.423 1.795 1.00 0.00 N ATOM 0 H GLN A 81 15.259 -5.090 3.071 1.00 0.00 H new ATOM 0 HA GLN A 81 15.332 -2.407 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.699 -2.992 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.458 -4.051 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.079 -5.557 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.966 -5.559 3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.629 -6.307 1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.886 -5.212 1.140 1.00 0.00 H new ATOM 1105 N GLU A 82 16.983 -3.083 1.122 1.00 0.00 N ATOM 1106 CA GLU A 82 17.658 -2.480 -0.016 1.00 0.00 C ATOM 1107 C GLU A 82 16.700 -1.561 -0.749 1.00 0.00 C ATOM 1108 O GLU A 82 17.071 -0.469 -1.184 1.00 0.00 O ATOM 1109 CB GLU A 82 18.184 -3.563 -0.962 1.00 0.00 C ATOM 1110 CG GLU A 82 19.685 -3.499 -1.183 1.00 0.00 C ATOM 1111 CD GLU A 82 20.096 -2.331 -2.058 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.666 -1.194 -1.771 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.849 -2.553 -3.030 1.00 0.00 O ATOM 0 H GLU A 82 16.792 -4.080 1.020 1.00 0.00 H new ATOM 0 HA GLU A 82 18.507 -1.898 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.926 -4.542 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.679 -3.470 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.187 -3.420 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.021 -4.428 -1.643 1.00 0.00 H new ATOM 1120 N ALA A 83 15.459 -2.012 -0.875 1.00 0.00 N ATOM 1121 CA ALA A 83 14.437 -1.236 -1.545 1.00 0.00 C ATOM 1122 C ALA A 83 14.074 -0.010 -0.720 1.00 0.00 C ATOM 1123 O ALA A 83 13.857 1.075 -1.260 1.00 0.00 O ATOM 1124 CB ALA A 83 13.210 -2.088 -1.815 1.00 0.00 C ATOM 0 H ALA A 83 15.140 -2.913 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 83 14.832 -0.898 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.453 -1.487 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.485 -2.931 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.810 -2.459 -0.871 1.00 0.00 H new ATOM 1130 N MET A 84 14.023 -0.188 0.597 1.00 0.00 N ATOM 1131 CA MET A 84 13.703 0.912 1.495 1.00 0.00 C ATOM 1132 C MET A 84 14.808 1.958 1.446 1.00 0.00 C ATOM 1133 O MET A 84 14.560 3.151 1.608 1.00 0.00 O ATOM 1134 CB MET A 84 13.508 0.405 2.924 1.00 0.00 C ATOM 1135 CG MET A 84 12.061 0.484 3.388 1.00 0.00 C ATOM 1136 SD MET A 84 11.728 -0.516 4.851 1.00 0.00 S ATOM 1137 CE MET A 84 12.708 -1.968 4.499 1.00 0.00 C ATOM 0 H MET A 84 14.198 -1.079 1.062 1.00 0.00 H new ATOM 0 HA MET A 84 12.769 1.369 1.169 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.849 -0.628 2.987 1.00 0.00 H new ATOM 0 HB3 MET A 84 14.133 0.989 3.600 1.00 0.00 H new ATOM 0 HG2 MET A 84 11.811 1.523 3.602 1.00 0.00 H new ATOM 0 HG3 MET A 84 11.408 0.159 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.294 -2.824 5.031 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.694 -2.165 3.427 1.00 0.00 H new ATOM 0 HE3 MET A 84 13.735 -1.801 4.824 1.00 0.00 H new ATOM 1147 N GLU A 85 16.030 1.497 1.194 1.00 0.00 N ATOM 1148 CA GLU A 85 17.176 2.387 1.089 1.00 0.00 C ATOM 1149 C GLU A 85 17.187 3.036 -0.292 1.00 0.00 C ATOM 1150 O GLU A 85 17.618 4.179 -0.454 1.00 0.00 O ATOM 1151 CB GLU A 85 18.474 1.606 1.327 1.00 0.00 C ATOM 1152 CG GLU A 85 19.728 2.326 0.852 1.00 0.00 C ATOM 1153 CD GLU A 85 20.004 3.596 1.634 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.485 3.493 2.782 1.00 0.00 O ATOM 1155 OE2 GLU A 85 19.738 4.691 1.099 1.00 0.00 O ATOM 0 H GLU A 85 16.249 0.510 1.059 1.00 0.00 H new ATOM 0 HA GLU A 85 17.102 3.166 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.570 1.397 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.405 0.644 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.583 1.656 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.624 2.570 -0.205 1.00 0.00 H new ATOM 1162 N THR A 86 16.696 2.293 -1.279 1.00 0.00 N ATOM 1163 CA THR A 86 16.627 2.776 -2.652 1.00 0.00 C ATOM 1164 C THR A 86 15.583 3.882 -2.773 1.00 0.00 C ATOM 1165 O THR A 86 15.764 4.839 -3.523 1.00 0.00 O ATOM 1166 CB THR A 86 16.299 1.612 -3.597 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.469 0.874 -3.902 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.676 2.038 -4.912 1.00 0.00 C ATOM 0 H THR A 86 16.338 1.347 -1.151 1.00 0.00 H new ATOM 0 HA THR A 86 17.595 3.191 -2.933 1.00 0.00 H new ATOM 0 HB THR A 86 15.569 1.010 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.673 0.264 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.475 1.157 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.742 2.566 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.362 2.698 -5.443 1.00 0.00 H new ATOM 1176 N LEU A 87 14.500 3.756 -2.015 1.00 0.00 N ATOM 1177 CA LEU A 87 13.448 4.763 -2.028 1.00 0.00 C ATOM 1178 C LEU A 87 13.883 5.944 -1.181 1.00 0.00 C ATOM 1179 O LEU A 87 13.578 7.097 -1.483 1.00 0.00 O ATOM 1180 CB LEU A 87 12.123 4.188 -1.517 1.00 0.00 C ATOM 1181 CG LEU A 87 12.158 3.611 -0.099 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.137 4.728 0.936 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.985 2.664 0.113 1.00 0.00 C ATOM 0 H LEU A 87 14.328 2.971 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 87 13.284 5.091 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.368 4.974 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.799 3.404 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 87 13.085 3.050 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.162 4.297 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.006 5.371 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.227 5.317 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.021 2.261 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.050 3.206 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.043 1.847 -0.606 1.00 0.00 H new ATOM 1195 N ARG A 88 14.615 5.631 -0.117 1.00 0.00 N ATOM 1196 CA ARG A 88 15.131 6.633 0.798 1.00 0.00 C ATOM 1197 C ARG A 88 16.072 7.588 0.073 1.00 0.00 C ATOM 1198 O ARG A 88 15.914 8.807 0.140 1.00 0.00 O ATOM 1199 CB ARG A 88 15.864 5.937 1.943 1.00 0.00 C ATOM 1200 CG ARG A 88 15.214 6.150 3.297 1.00 0.00 C ATOM 1201 CD ARG A 88 15.701 5.132 4.316 1.00 0.00 C ATOM 1202 NE ARG A 88 17.102 5.342 4.675 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.668 4.848 5.773 1.00 0.00 C ATOM 1204 NH1 ARG A 88 16.956 4.116 6.623 1.00 0.00 N ATOM 1205 NH2 ARG A 88 18.947 5.088 6.025 1.00 0.00 N ATOM 0 H ARG A 88 14.865 4.674 0.132 1.00 0.00 H new ATOM 0 HA ARG A 88 14.300 7.215 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.912 4.868 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.891 6.301 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.434 7.156 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.131 6.077 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.084 5.193 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.577 4.127 3.912 1.00 0.00 H new ATOM 0 HE ARG A 88 17.680 5.900 4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.971 3.930 6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.395 3.740 7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 88 19.497 5.652 5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.381 4.709 6.867 1.00 0.00 H new ATOM 1219 N ARG A 89 17.051 7.024 -0.624 1.00 0.00 N ATOM 1220 CA ARG A 89 18.013 7.822 -1.369 1.00 0.00 C ATOM 1221 C ARG A 89 17.347 8.422 -2.607 1.00 0.00 C ATOM 1222 O ARG A 89 17.675 9.531 -3.026 1.00 0.00 O ATOM 1223 CB ARG A 89 19.242 6.967 -1.733 1.00 0.00 C ATOM 1224 CG ARG A 89 19.521 6.832 -3.223 1.00 0.00 C ATOM 1225 CD ARG A 89 18.644 5.762 -3.841 1.00 0.00 C ATOM 1226 NE ARG A 89 18.514 5.923 -5.287 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.417 5.494 -6.166 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.521 4.886 -5.751 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.216 5.676 -7.463 1.00 0.00 N ATOM 0 H ARG A 89 17.198 6.017 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 89 18.361 8.648 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.120 7.399 -1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.108 5.970 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.342 7.786 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.571 6.583 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.063 4.780 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.655 5.795 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 89 17.682 6.392 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.681 4.745 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.209 4.560 -6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.370 6.144 -7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.907 5.348 -8.137 1.00 0.00 H new ATOM 1243 N SER A 90 16.406 7.684 -3.181 1.00 0.00 N ATOM 1244 CA SER A 90 15.687 8.147 -4.360 1.00 0.00 C ATOM 1245 C SER A 90 14.739 9.282 -3.994 1.00 0.00 C ATOM 1246 O SER A 90 14.451 10.155 -4.812 1.00 0.00 O ATOM 1247 CB SER A 90 14.906 6.993 -4.994 1.00 0.00 C ATOM 1248 OG SER A 90 15.773 6.098 -5.666 1.00 0.00 O ATOM 0 H SER A 90 16.123 6.762 -2.849 1.00 0.00 H new ATOM 0 HA SER A 90 16.413 8.518 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.353 6.457 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.172 7.389 -5.696 1.00 0.00 H new ATOM 0 HG SER A 90 15.820 5.254 -5.170 1.00 0.00 H new ATOM 1254 N MET A 91 14.257 9.259 -2.756 1.00 0.00 N ATOM 1255 CA MET A 91 13.339 10.281 -2.272 1.00 0.00 C ATOM 1256 C MET A 91 14.091 11.463 -1.667 1.00 0.00 C ATOM 1257 O MET A 91 13.542 12.559 -1.550 1.00 0.00 O ATOM 1258 CB MET A 91 12.384 9.683 -1.234 1.00 0.00 C ATOM 1259 CG MET A 91 13.024 9.419 0.122 1.00 0.00 C ATOM 1260 SD MET A 91 11.832 8.870 1.361 1.00 0.00 S ATOM 1261 CE MET A 91 10.586 8.101 0.330 1.00 0.00 C ATOM 0 H MET A 91 14.488 8.542 -2.069 1.00 0.00 H new ATOM 0 HA MET A 91 12.765 10.646 -3.124 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.541 10.360 -1.100 1.00 0.00 H new ATOM 0 HB3 MET A 91 11.983 8.747 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.801 8.663 0.011 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.512 10.329 0.472 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.783 7.714 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.181 8.839 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.034 7.282 -0.233 1.00 0.00 H new ATOM 1271 N SER A 92 15.339 11.238 -1.265 1.00 0.00 N ATOM 1272 CA SER A 92 16.137 12.298 -0.652 1.00 0.00 C ATOM 1273 C SER A 92 17.416 12.589 -1.435 1.00 0.00 C ATOM 1274 O SER A 92 18.433 12.965 -0.851 1.00 0.00 O ATOM 1275 CB SER A 92 16.489 11.923 0.788 1.00 0.00 C ATOM 1276 OG SER A 92 16.394 13.048 1.647 1.00 0.00 O ATOM 0 H SER A 92 15.817 10.341 -1.351 1.00 0.00 H new ATOM 0 HA SER A 92 15.531 13.204 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.818 11.138 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.500 11.518 0.825 1.00 0.00 H new ATOM 0 HG SER A 92 16.622 12.781 2.562 1.00 0.00 H new ATOM 1282 N THR A 93 17.371 12.420 -2.753 1.00 0.00 N ATOM 1283 CA THR A 93 18.544 12.676 -3.583 1.00 0.00 C ATOM 1284 C THR A 93 18.168 12.900 -5.051 1.00 0.00 C ATOM 1285 O THR A 93 18.841 13.648 -5.758 1.00 0.00 O ATOM 1286 CB THR A 93 19.539 11.520 -3.441 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.831 12.009 -3.131 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.666 10.643 -4.671 1.00 0.00 C ATOM 0 H THR A 93 16.545 12.110 -3.265 1.00 0.00 H new ATOM 0 HA THR A 93 19.013 13.596 -3.234 1.00 0.00 H new ATOM 0 HB THR A 93 19.132 10.908 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.453 11.257 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.391 9.852 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.698 10.200 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.001 11.246 -5.515 1.00 0.00 H new ATOM 1296 N GLU A 94 17.105 12.247 -5.506 1.00 0.00 N ATOM 1297 CA GLU A 94 16.665 12.383 -6.890 1.00 0.00 C ATOM 1298 C GLU A 94 15.286 13.024 -6.970 1.00 0.00 C ATOM 1299 O GLU A 94 15.057 13.933 -7.768 1.00 0.00 O ATOM 1300 CB GLU A 94 16.649 11.020 -7.579 1.00 0.00 C ATOM 1301 CG GLU A 94 17.889 10.195 -7.298 1.00 0.00 C ATOM 1302 CD GLU A 94 18.251 9.272 -8.445 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.725 8.140 -8.484 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.060 9.679 -9.304 1.00 0.00 O ATOM 0 H GLU A 94 16.533 11.620 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 94 17.373 13.034 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.769 10.465 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.553 11.165 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.727 10.863 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.730 9.603 -6.397 1.00 0.00 H new ATOM 1311 N GLY A 95 14.373 12.548 -6.136 1.00 0.00 N ATOM 1312 CA GLY A 95 13.028 13.090 -6.124 1.00 0.00 C ATOM 1313 C GLY A 95 12.977 14.461 -5.489 1.00 0.00 C ATOM 1314 O GLY A 95 12.208 15.325 -5.912 1.00 0.00 O ATOM 0 H GLY A 95 14.539 11.796 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.651 13.149 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.369 12.413 -5.580 1.00 0.00 H new ATOM 1318 N ASN A 96 13.806 14.665 -4.474 1.00 0.00 N ATOM 1319 CA ASN A 96 13.865 15.942 -3.780 1.00 0.00 C ATOM 1320 C ASN A 96 14.514 16.995 -4.674 1.00 0.00 C ATOM 1321 O ASN A 96 14.153 18.171 -4.630 1.00 0.00 O ATOM 1322 CB ASN A 96 14.638 15.781 -2.462 1.00 0.00 C ATOM 1323 CG ASN A 96 15.266 17.073 -1.972 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.381 17.076 -1.451 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.549 18.176 -2.137 1.00 0.00 N ATOM 0 H ASN A 96 14.448 13.960 -4.113 1.00 0.00 H new ATOM 0 HA ASN A 96 12.854 16.275 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.962 15.401 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.420 15.033 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.918 19.075 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.629 18.126 -2.574 1.00 0.00 H new ATOM 1332 N LYS A 97 15.472 16.558 -5.489 1.00 0.00 N ATOM 1333 CA LYS A 97 16.181 17.452 -6.404 1.00 0.00 C ATOM 1334 C LYS A 97 15.236 18.456 -7.059 1.00 0.00 C ATOM 1335 O LYS A 97 15.619 19.591 -7.342 1.00 0.00 O ATOM 1336 CB LYS A 97 16.898 16.640 -7.469 1.00 0.00 C ATOM 1337 CG LYS A 97 18.261 16.172 -7.014 1.00 0.00 C ATOM 1338 CD LYS A 97 18.913 15.291 -8.052 1.00 0.00 C ATOM 1339 CE LYS A 97 19.289 16.089 -9.286 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.080 15.279 -10.253 1.00 0.00 N ATOM 0 H LYS A 97 15.777 15.586 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 97 16.910 18.015 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.290 15.775 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.006 17.243 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.897 17.035 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.166 15.624 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.804 14.825 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.233 14.485 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.384 16.453 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.866 16.965 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.317 15.861 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 20.956 14.953 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.521 14.456 -10.556 1.00 0.00 H new ATOM 1354 N ARG A 98 13.998 18.033 -7.288 1.00 0.00 N ATOM 1355 CA ARG A 98 12.996 18.895 -7.900 1.00 0.00 C ATOM 1356 C ARG A 98 11.963 19.342 -6.869 1.00 0.00 C ATOM 1357 O ARG A 98 11.369 20.413 -6.996 1.00 0.00 O ATOM 1358 CB ARG A 98 12.304 18.178 -9.056 1.00 0.00 C ATOM 1359 CG ARG A 98 11.740 16.824 -8.672 1.00 0.00 C ATOM 1360 CD ARG A 98 12.505 15.688 -9.333 1.00 0.00 C ATOM 1361 NE ARG A 98 11.696 14.991 -10.330 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.004 13.798 -10.832 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.103 13.167 -10.435 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.215 13.234 -11.735 1.00 0.00 N ATOM 0 H ARG A 98 13.665 17.097 -7.058 1.00 0.00 H new ATOM 0 HA ARG A 98 13.504 19.778 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.497 18.806 -9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.015 18.049 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.779 16.707 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.690 16.772 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.403 16.083 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.832 14.980 -8.572 1.00 0.00 H new ATOM 0 HE ARG A 98 10.845 15.446 -10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.716 13.597 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.334 12.253 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.371 13.715 -12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.452 12.319 -12.119 1.00 0.00 H new ATOM 1378 N GLY A 99 11.753 18.513 -5.849 1.00 0.00 N ATOM 1379 CA GLY A 99 10.791 18.842 -4.814 1.00 0.00 C ATOM 1380 C GLY A 99 9.793 17.725 -4.564 1.00 0.00 C ATOM 1381 O GLY A 99 9.016 17.785 -3.612 1.00 0.00 O ATOM 0 H GLY A 99 12.232 17.621 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.322 19.063 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.254 19.747 -5.098 1.00 0.00 H new ATOM 1385 N MET A 100 9.812 16.707 -5.422 1.00 0.00 N ATOM 1386 CA MET A 100 8.901 15.576 -5.291 1.00 0.00 C ATOM 1387 C MET A 100 9.492 14.326 -5.933 1.00 0.00 C ATOM 1388 O MET A 100 10.182 14.402 -6.948 1.00 0.00 O ATOM 1389 CB MET A 100 7.559 15.904 -5.941 1.00 0.00 C ATOM 1390 CG MET A 100 7.661 16.142 -7.437 1.00 0.00 C ATOM 1391 SD MET A 100 6.598 15.056 -8.398 1.00 0.00 S ATOM 1392 CE MET A 100 7.596 13.569 -8.444 1.00 0.00 C ATOM 0 H MET A 100 10.450 16.644 -6.216 1.00 0.00 H new ATOM 0 HA MET A 100 8.750 15.383 -4.229 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.864 15.085 -5.757 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.140 16.791 -5.466 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.401 17.178 -7.652 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.695 16.000 -7.752 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.213 12.897 -9.212 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.629 13.831 -8.673 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.554 13.073 -7.475 1.00 0.00 H new ATOM 1402 N ILE A 101 9.223 13.176 -5.326 1.00 0.00 N ATOM 1403 CA ILE A 101 9.734 11.909 -5.827 1.00 0.00 C ATOM 1404 C ILE A 101 8.630 11.073 -6.472 1.00 0.00 C ATOM 1405 O ILE A 101 7.491 11.063 -6.008 1.00 0.00 O ATOM 1406 CB ILE A 101 10.416 11.090 -4.699 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.746 9.722 -4.517 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.411 11.862 -3.388 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.366 8.888 -3.419 1.00 0.00 C ATOM 0 H ILE A 101 8.652 13.097 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 101 10.477 12.148 -6.587 1.00 0.00 H new ATOM 0 HB ILE A 101 11.451 10.921 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.689 9.871 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.802 9.171 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.894 11.267 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.952 12.800 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.383 12.074 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.842 7.935 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.417 8.709 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.287 9.419 -2.470 1.00 0.00 H new ATOM 1421 N GLN A 102 8.991 10.348 -7.528 1.00 0.00 N ATOM 1422 CA GLN A 102 8.044 9.481 -8.215 1.00 0.00 C ATOM 1423 C GLN A 102 7.844 8.215 -7.393 1.00 0.00 C ATOM 1424 O GLN A 102 8.803 7.660 -6.857 1.00 0.00 O ATOM 1425 CB GLN A 102 8.559 9.131 -9.613 1.00 0.00 C ATOM 1426 CG GLN A 102 7.490 8.571 -10.541 1.00 0.00 C ATOM 1427 CD GLN A 102 6.898 7.267 -10.041 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.686 7.064 -10.092 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.752 6.373 -9.552 1.00 0.00 N ATOM 0 H GLN A 102 9.931 10.345 -7.924 1.00 0.00 H new ATOM 0 HA GLN A 102 7.091 9.999 -8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.988 10.025 -10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.365 8.403 -9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.693 9.306 -10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.921 8.413 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.750 6.581 -9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.409 5.479 -9.201 1.00 0.00 H new ATOM 1438 N LEU A 103 6.601 7.770 -7.270 1.00 0.00 N ATOM 1439 CA LEU A 103 6.310 6.581 -6.481 1.00 0.00 C ATOM 1440 C LEU A 103 5.339 5.646 -7.187 1.00 0.00 C ATOM 1441 O LEU A 103 4.440 6.081 -7.906 1.00 0.00 O ATOM 1442 CB LEU A 103 5.730 6.989 -5.124 1.00 0.00 C ATOM 1443 CG LEU A 103 6.697 6.885 -3.945 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.426 7.991 -2.939 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.581 5.519 -3.288 1.00 0.00 C ATOM 0 H LEU A 103 5.787 8.208 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 103 7.248 6.043 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.376 8.017 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.861 6.365 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 103 7.715 7.003 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.123 7.903 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.556 8.960 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.404 7.904 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.275 5.458 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.563 5.374 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.822 4.744 -4.015 1.00 0.00 H new ATOM 1457 N ILE A 104 5.524 4.355 -6.949 1.00 0.00 N ATOM 1458 CA ILE A 104 4.665 3.328 -7.520 1.00 0.00 C ATOM 1459 C ILE A 104 4.413 2.244 -6.477 1.00 0.00 C ATOM 1460 O ILE A 104 5.334 1.527 -6.080 1.00 0.00 O ATOM 1461 CB ILE A 104 5.289 2.700 -8.787 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.397 3.746 -9.900 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.467 1.508 -9.259 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.658 3.622 -10.726 1.00 0.00 C ATOM 0 H ILE A 104 6.271 3.991 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 104 3.724 3.795 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 104 6.290 2.348 -8.538 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.532 3.656 -10.557 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.359 4.741 -9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.924 1.081 -10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.434 0.754 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.453 1.834 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.667 4.395 -11.495 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.529 3.742 -10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.689 2.640 -11.198 1.00 0.00 H new ATOM 1476 N VAL A 105 3.170 2.140 -6.020 1.00 0.00 N ATOM 1477 CA VAL A 105 2.815 1.156 -5.004 1.00 0.00 C ATOM 1478 C VAL A 105 1.709 0.224 -5.485 1.00 0.00 C ATOM 1479 O VAL A 105 1.176 0.385 -6.581 1.00 0.00 O ATOM 1480 CB VAL A 105 2.362 1.840 -3.697 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.461 2.741 -3.156 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.080 2.632 -3.915 1.00 0.00 C ATOM 0 H VAL A 105 2.394 2.722 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 105 3.713 0.569 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 105 2.160 1.063 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.123 3.214 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.352 2.147 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.697 3.509 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.781 3.105 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.250 3.399 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.290 1.960 -4.251 1.00 0.00 H new ATOM 1492 N ALA A 106 1.370 -0.750 -4.649 1.00 0.00 N ATOM 1493 CA ALA A 106 0.324 -1.712 -4.973 1.00 0.00 C ATOM 1494 C ALA A 106 -0.408 -2.152 -3.711 1.00 0.00 C ATOM 1495 O ALA A 106 0.219 -2.485 -2.705 1.00 0.00 O ATOM 1496 CB ALA A 106 0.915 -2.913 -5.695 1.00 0.00 C ATOM 0 H ALA A 106 1.806 -0.895 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.396 -1.231 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.122 -3.623 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.393 -2.584 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.654 -3.395 -5.055 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.735 -2.149 -3.765 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.538 -2.550 -2.614 1.00 0.00 C ATOM 1504 C ARG A 107 -3.771 -3.334 -3.048 1.00 0.00 C ATOM 1505 O ARG A 107 -3.984 -3.568 -4.239 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.957 -1.327 -1.793 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.288 -0.103 -2.628 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.743 -0.102 -3.067 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.585 0.680 -2.165 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.850 1.002 -2.425 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.422 0.612 -3.557 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.546 1.716 -1.549 1.00 0.00 N ATOM 0 H ARG A 107 -2.275 -1.876 -4.586 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.921 -3.198 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.827 -1.588 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.154 -1.075 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.081 0.798 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.642 -0.075 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.817 0.304 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.110 -1.127 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.180 0.998 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.892 0.062 -4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.392 0.862 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.111 2.018 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.515 1.963 -1.748 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.575 -3.742 -2.075 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.784 -4.506 -2.352 1.00 0.00 C ATOM 1528 C ARG A 108 -7.007 -3.595 -2.420 1.00 0.00 C ATOM 1529 O ARG A 108 -7.119 -2.630 -1.663 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.990 -5.577 -1.280 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.631 -6.979 -1.743 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.384 -8.035 -0.951 1.00 0.00 C ATOM 1533 NE ARG A 108 -6.184 -7.883 0.489 1.00 0.00 N ATOM 1534 CZ ARG A 108 -5.184 -8.446 1.166 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -4.281 -9.189 0.538 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -5.084 -8.259 2.475 1.00 0.00 N ATOM 0 H ARG A 108 -4.411 -3.556 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.663 -4.988 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.387 -5.326 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.032 -5.564 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.862 -7.084 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.558 -7.136 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.448 -7.969 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.052 -9.026 -1.261 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.851 -7.311 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.350 -9.332 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.518 -9.617 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.772 -7.685 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.319 -8.689 2.995 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.922 -3.912 -3.331 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.139 -3.128 -3.499 1.00 0.00 C ATOM 1552 C ILE A 109 -10.059 -3.276 -2.289 1.00 0.00 C ATOM 1553 O ILE A 109 -10.907 -2.421 -2.034 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.905 -3.549 -4.768 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.975 -3.519 -5.981 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -11.104 -2.641 -4.993 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -9.650 -3.935 -7.271 1.00 0.00 C ATOM 0 H ILE A 109 -7.843 -4.707 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.835 -2.086 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.268 -4.568 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.576 -2.511 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.127 -4.178 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.633 -2.953 -5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.775 -2.706 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.764 -1.612 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.931 -3.890 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.025 -4.954 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.481 -3.261 -7.481 1.00 0.00 H new ATOM 1569 N SER A 110 -9.886 -4.368 -1.547 1.00 0.00 N ATOM 1570 CA SER A 110 -10.700 -4.630 -0.365 1.00 0.00 C ATOM 1571 C SER A 110 -12.142 -4.940 -0.755 1.00 0.00 C ATOM 1572 O SER A 110 -13.081 -4.554 -0.059 1.00 0.00 O ATOM 1573 CB SER A 110 -10.662 -3.433 0.589 1.00 0.00 C ATOM 1574 OG SER A 110 -10.611 -3.857 1.941 1.00 0.00 O ATOM 0 H SER A 110 -9.188 -5.085 -1.745 1.00 0.00 H new ATOM 0 HA SER A 110 -10.284 -5.500 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.793 -2.814 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.544 -2.812 0.433 1.00 0.00 H new ATOM 0 HG SER A 110 -10.586 -3.073 2.529 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.694 -12.113 6.230 1.00 0.00 N ATOM 1582 CA ASP B 3 3.643 -12.883 5.435 1.00 0.00 C ATOM 1583 C ASP B 3 5.074 -12.432 5.708 1.00 0.00 C ATOM 1584 O ASP B 3 5.909 -12.404 4.805 1.00 0.00 O ATOM 1585 CB ASP B 3 3.326 -12.737 3.945 1.00 0.00 C ATOM 1586 CG ASP B 3 1.876 -13.049 3.629 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.363 -14.067 4.138 1.00 0.00 O ATOM 1588 OD2 ASP B 3 1.253 -12.273 2.874 1.00 0.00 O ATOM 0 HA ASP B 3 3.551 -13.931 5.719 1.00 0.00 H new ATOM 0 HB2 ASP B 3 3.554 -11.720 3.626 1.00 0.00 H new ATOM 0 HB3 ASP B 3 3.971 -13.403 3.372 1.00 0.00 H new ATOM 1593 N GLU B 4 5.350 -12.080 6.960 1.00 0.00 N ATOM 1594 CA GLU B 4 6.681 -11.628 7.353 1.00 0.00 C ATOM 1595 C GLU B 4 7.473 -12.756 8.005 1.00 0.00 C ATOM 1596 O GLU B 4 6.917 -13.798 8.352 1.00 0.00 O ATOM 1597 CB GLU B 4 6.581 -10.437 8.308 1.00 0.00 C ATOM 1598 CG GLU B 4 5.523 -10.601 9.386 1.00 0.00 C ATOM 1599 CD GLU B 4 5.529 -9.465 10.389 1.00 0.00 C ATOM 1600 OE1 GLU B 4 5.052 -8.364 10.041 1.00 0.00 O ATOM 1601 OE2 GLU B 4 6.012 -9.676 11.522 1.00 0.00 O ATOM 0 H GLU B 4 4.670 -12.099 7.720 1.00 0.00 H new ATOM 0 HA GLU B 4 7.208 -11.316 6.452 1.00 0.00 H new ATOM 0 HB2 GLU B 4 7.550 -10.282 8.783 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.362 -9.538 7.731 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.540 -10.662 8.918 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.686 -11.543 9.909 1.00 0.00 H new ATOM 1608 N ASP B 5 8.773 -12.538 8.169 1.00 0.00 N ATOM 1609 CA ASP B 5 9.647 -13.534 8.779 1.00 0.00 C ATOM 1610 C ASP B 5 9.275 -13.763 10.239 1.00 0.00 C ATOM 1611 O ASP B 5 8.831 -14.847 10.616 1.00 0.00 O ATOM 1612 CB ASP B 5 11.110 -13.093 8.672 1.00 0.00 C ATOM 1613 CG ASP B 5 11.945 -14.048 7.841 1.00 0.00 C ATOM 1614 OD1 ASP B 5 11.365 -14.772 7.005 1.00 0.00 O ATOM 1615 OD2 ASP B 5 13.180 -14.073 8.028 1.00 0.00 O ATOM 0 H ASP B 5 9.246 -11.679 7.888 1.00 0.00 H new ATOM 0 HA ASP B 5 9.519 -14.473 8.241 1.00 0.00 H new ATOM 0 HB2 ASP B 5 11.155 -12.098 8.230 1.00 0.00 H new ATOM 0 HB3 ASP B 5 11.537 -13.017 9.672 1.00 0.00 H new ATOM 1620 N GLN B 6 9.461 -12.732 11.054 1.00 0.00 N ATOM 1621 CA GLN B 6 9.147 -12.816 12.476 1.00 0.00 C ATOM 1622 C GLN B 6 8.297 -11.627 12.918 1.00 0.00 C ATOM 1623 O GLN B 6 7.092 -11.759 13.130 1.00 0.00 O ATOM 1624 CB GLN B 6 10.434 -12.875 13.300 1.00 0.00 C ATOM 1625 CG GLN B 6 10.850 -14.288 13.677 1.00 0.00 C ATOM 1626 CD GLN B 6 12.077 -14.757 12.921 1.00 0.00 C ATOM 1627 OE1 GLN B 6 13.206 -14.419 13.277 1.00 0.00 O ATOM 1628 NE2 GLN B 6 11.862 -15.540 11.869 1.00 0.00 N ATOM 0 H GLN B 6 9.827 -11.828 10.755 1.00 0.00 H new ATOM 0 HA GLN B 6 8.575 -13.728 12.644 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.240 -12.407 12.735 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.301 -12.289 14.210 1.00 0.00 H new ATOM 0 HG2 GLN B 6 11.050 -14.330 14.748 1.00 0.00 H new ATOM 0 HG3 GLN B 6 10.024 -14.971 13.480 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.909 -15.795 11.610 1.00 0.00 H new ATOM 0 HE22 GLN B 6 12.650 -15.886 11.321 1.00 0.00 H new ATOM 1637 N HIS B 7 8.934 -10.468 13.057 1.00 0.00 N ATOM 1638 CA HIS B 7 8.233 -9.258 13.477 1.00 0.00 C ATOM 1639 C HIS B 7 8.471 -8.113 12.495 1.00 0.00 C ATOM 1640 O HIS B 7 8.320 -6.943 12.846 1.00 0.00 O ATOM 1641 CB HIS B 7 8.683 -8.847 14.882 1.00 0.00 C ATOM 1642 CG HIS B 7 7.575 -8.852 15.889 1.00 0.00 C ATOM 1643 ND1 HIS B 7 6.372 -8.210 15.687 1.00 0.00 N ATOM 1644 CD2 HIS B 7 7.493 -9.427 17.112 1.00 0.00 C ATOM 1645 CE1 HIS B 7 5.597 -8.389 16.742 1.00 0.00 C ATOM 1646 NE2 HIS B 7 6.253 -9.124 17.621 1.00 0.00 N ATOM 0 H HIS B 7 9.931 -10.341 12.886 1.00 0.00 H new ATOM 0 HA HIS B 7 7.165 -9.476 13.492 1.00 0.00 H new ATOM 0 HB2 HIS B 7 9.470 -9.524 15.216 1.00 0.00 H new ATOM 0 HB3 HIS B 7 9.119 -7.849 14.838 1.00 0.00 H new ATOM 0 HD2 HIS B 7 8.259 -10.014 17.597 1.00 0.00 H new ATOM 0 HE1 HIS B 7 4.597 -8.000 16.865 1.00 0.00 H new ATOM 0 HE2 HIS B 7 5.897 -9.419 18.530 1.00 0.00 H new ATOM 1655 N SER B 8 8.837 -8.455 11.263 1.00 0.00 N ATOM 1656 CA SER B 8 9.090 -7.451 10.233 1.00 0.00 C ATOM 1657 C SER B 8 10.143 -6.443 10.694 1.00 0.00 C ATOM 1658 O SER B 8 10.919 -6.718 11.609 1.00 0.00 O ATOM 1659 CB SER B 8 7.786 -6.734 9.868 1.00 0.00 C ATOM 1660 OG SER B 8 7.572 -6.748 8.468 1.00 0.00 O ATOM 0 H SER B 8 8.965 -9.418 10.953 1.00 0.00 H new ATOM 0 HA SER B 8 9.476 -7.957 9.348 1.00 0.00 H new ATOM 0 HB2 SER B 8 6.949 -7.216 10.372 1.00 0.00 H new ATOM 0 HB3 SER B 8 7.822 -5.704 10.223 1.00 0.00 H new ATOM 0 HG SER B 8 8.432 -6.666 8.005 1.00 0.00 H new ATOM 1666 N GLN B 9 10.163 -5.274 10.056 1.00 0.00 N ATOM 1667 CA GLN B 9 11.114 -4.229 10.393 1.00 0.00 C ATOM 1668 C GLN B 9 10.655 -2.912 9.785 1.00 0.00 C ATOM 1669 O GLN B 9 10.478 -2.809 8.571 1.00 0.00 O ATOM 1670 CB GLN B 9 12.511 -4.611 9.886 1.00 0.00 C ATOM 1671 CG GLN B 9 13.573 -3.541 10.108 1.00 0.00 C ATOM 1672 CD GLN B 9 13.422 -2.345 9.186 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.728 -1.216 9.568 1.00 0.00 O ATOM 1674 NE2 GLN B 9 12.952 -2.580 7.964 1.00 0.00 N ATOM 0 H GLN B 9 9.525 -5.031 9.299 1.00 0.00 H new ATOM 0 HA GLN B 9 11.166 -4.113 11.476 1.00 0.00 H new ATOM 0 HB2 GLN B 9 12.827 -5.528 10.383 1.00 0.00 H new ATOM 0 HB3 GLN B 9 12.450 -4.831 8.820 1.00 0.00 H new ATOM 0 HG2 GLN B 9 13.526 -3.202 11.143 1.00 0.00 H new ATOM 0 HG3 GLN B 9 14.559 -3.982 9.962 1.00 0.00 H new ATOM 0 HE21 GLN B 9 12.710 -3.531 7.685 1.00 0.00 H new ATOM 0 HE22 GLN B 9 12.834 -1.810 7.306 1.00 0.00 H new ATOM 1683 N ILE B 10 10.439 -1.913 10.630 1.00 0.00 N ATOM 1684 CA ILE B 10 9.974 -0.615 10.157 1.00 0.00 C ATOM 1685 C ILE B 10 11.130 0.347 9.920 1.00 0.00 C ATOM 1686 O ILE B 10 12.137 0.320 10.627 1.00 0.00 O ATOM 1687 CB ILE B 10 8.972 0.033 11.132 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.150 -1.035 11.856 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.059 0.983 10.377 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.218 -1.808 10.946 1.00 0.00 C ATOM 0 H ILE B 10 10.577 -1.974 11.639 1.00 0.00 H new ATOM 0 HA ILE B 10 9.469 -0.806 9.210 1.00 0.00 H new ATOM 0 HB ILE B 10 9.529 0.596 11.881 1.00 0.00 H new ATOM 0 HG12 ILE B 10 8.829 -1.734 12.344 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.564 -0.559 12.642 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.353 1.438 11.072 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.656 1.763 9.904 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.512 0.431 9.613 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.669 -2.547 11.530 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.514 -1.120 10.477 1.00 0.00 H new ATOM 0 HD13 ILE B 10 7.799 -2.314 10.175 1.00 0.00 H new ATOM 1702 N THR B 11 10.968 1.193 8.913 1.00 0.00 N ATOM 1703 CA THR B 11 11.981 2.176 8.553 1.00 0.00 C ATOM 1704 C THR B 11 11.327 3.502 8.171 1.00 0.00 C ATOM 1705 O THR B 11 10.730 3.623 7.102 1.00 0.00 O ATOM 1706 CB THR B 11 12.828 1.646 7.394 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.574 0.512 7.795 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.804 2.659 6.836 1.00 0.00 C ATOM 0 H THR B 11 10.135 1.218 8.325 1.00 0.00 H new ATOM 0 HA THR B 11 12.627 2.349 9.414 1.00 0.00 H new ATOM 0 HB THR B 11 12.109 1.397 6.613 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.422 0.341 8.748 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.367 2.209 6.018 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.257 3.526 6.466 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.492 2.972 7.621 1.00 0.00 H new ATOM 1716 N LYS B 12 11.439 4.488 9.054 1.00 0.00 N ATOM 1717 CA LYS B 12 10.850 5.801 8.809 1.00 0.00 C ATOM 1718 C LYS B 12 11.573 6.530 7.681 1.00 0.00 C ATOM 1719 O LYS B 12 12.736 6.909 7.817 1.00 0.00 O ATOM 1720 CB LYS B 12 10.889 6.647 10.083 1.00 0.00 C ATOM 1721 CG LYS B 12 9.903 7.803 10.074 1.00 0.00 C ATOM 1722 CD LYS B 12 9.338 8.066 11.460 1.00 0.00 C ATOM 1723 CE LYS B 12 8.159 7.157 11.764 1.00 0.00 C ATOM 1724 NZ LYS B 12 7.585 7.422 13.112 1.00 0.00 N ATOM 0 H LYS B 12 11.931 4.404 9.944 1.00 0.00 H new ATOM 0 HA LYS B 12 9.813 5.650 8.509 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.679 6.008 10.941 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.897 7.040 10.218 1.00 0.00 H new ATOM 0 HG2 LYS B 12 10.398 8.702 9.706 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.089 7.582 9.384 1.00 0.00 H new ATOM 0 HD2 LYS B 12 10.118 7.914 12.206 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.024 9.107 11.534 1.00 0.00 H new ATOM 0 HE2 LYS B 12 7.387 7.298 11.007 1.00 0.00 H new ATOM 0 HE3 LYS B 12 8.478 6.117 11.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 6.783 6.781 13.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 8.313 7.263 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 7.257 8.408 13.162 1.00 0.00 H new ATOM 1738 N VAL B 13 10.873 6.723 6.568 1.00 0.00 N ATOM 1739 CA VAL B 13 11.439 7.408 5.414 1.00 0.00 C ATOM 1740 C VAL B 13 10.708 8.721 5.145 1.00 0.00 C ATOM 1741 O VAL B 13 9.860 9.107 5.977 1.00 0.00 O ATOM 1742 CB VAL B 13 11.379 6.527 4.151 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.143 5.230 4.369 1.00 0.00 C ATOM 1744 CG2 VAL B 13 9.937 6.241 3.760 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.989 9.351 4.104 1.00 0.00 O ATOM 0 H VAL B 13 9.909 6.413 6.442 1.00 0.00 H new ATOM 0 HA VAL B 13 12.483 7.618 5.648 1.00 0.00 H new ATOM 0 HB VAL B 13 11.851 7.071 3.333 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.090 4.620 3.467 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.185 5.455 4.594 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.702 4.684 5.203 1.00 0.00 H new ATOM 0 HG21 VAL B 13 9.919 5.618 2.866 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.435 5.720 4.576 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.422 7.180 3.558 1.00 0.00 H new TER 1755 VAL B 13