USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 801 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 93 THR OG1 : rot -63:sc= 0.388 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -122:sc= -0.0105 (180deg=-0.0331) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 141:sc= -0.656! (180deg=-1.27!) USER MOD Set 2.2: A 86 THR OG1 : rot -90:sc= -0.885 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.008 F(o=-3.6,f=0.14) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -173:sc= 0.15 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot -150:sc= 1.18 USER MOD Set 4.2: A 38 ASN :FLIP amide:sc= -2.71! F(o=-3.4,f=-1.5!) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -147:sc= 0.798 (180deg=0.909) USER MOD Set 5.2: A 33 ASN : amide:sc= -0.481 K(o=1.2,f=-0.83) USER MOD Set 5.3: A 36 LYS NZ :NH3+ -165:sc= 0.847 (180deg=0.537) USER MOD Single : A 8 THR OG1 : rot 58:sc= 0.0241 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.96 USER MOD Single : A 21 SER OG : rot -157:sc= -4.48 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.239 F(o=-1,f=-0.24) USER MOD Single : A 56 SER OG : rot -160:sc= -0.775 USER MOD Single : A 64 ASN :FLIP amide:sc= -2.89! C(o=-3.5!,f=-2.9!) USER MOD Single : A 66 GLN : amide:sc= -2.65 K(o=-2.7,f=-6.7!) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.53 F(o=-6.5!,f=-2.5) USER MOD Single : A 74 SER OG : rot -8:sc= 0.915 USER MOD Single : A 80 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.7) USER MOD Single : A 81 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 84 MET CE :methyl -168:sc= -7.02! (180deg=-7.7!) USER MOD Single : A 90 SER OG : rot 86:sc= 1.18 USER MOD Single : A 91 MET CE :methyl 175:sc= -7.66! (180deg=-8.24!) USER MOD Single : A 92 SER OG : rot 83:sc= 1.18 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.99! C(o=-7.4!,f=-5!) USER MOD Single : A 100 MET CE :methyl -169:sc= -8.73! (180deg=-9.5!) USER MOD Single : A 102 GLN : amide:sc= -3.15! C(o=-3.2!,f=-4.3!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -2.404 -11.172 -15.149 1.00 0.00 N ATOM 2 CA GLY A 7 -3.673 -11.832 -14.912 1.00 0.00 C ATOM 3 C GLY A 7 -4.573 -11.037 -13.984 1.00 0.00 C ATOM 4 O GLY A 7 -5.686 -10.664 -14.358 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.182 -11.987 -15.863 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.493 -12.818 -14.483 1.00 0.00 H new ATOM 8 N THR A 8 -4.091 -10.778 -12.774 1.00 0.00 N ATOM 9 CA THR A 8 -4.858 -10.021 -11.792 1.00 0.00 C ATOM 10 C THR A 8 -3.934 -9.275 -10.834 1.00 0.00 C ATOM 11 O THR A 8 -3.945 -9.516 -9.627 1.00 0.00 O ATOM 12 CB THR A 8 -5.787 -10.950 -11.012 1.00 0.00 C ATOM 13 OG1 THR A 8 -5.079 -12.078 -10.527 1.00 0.00 O ATOM 14 CG2 THR A 8 -6.953 -11.458 -11.833 1.00 0.00 C ATOM 0 H THR A 8 -3.173 -11.081 -12.449 1.00 0.00 H new ATOM 0 HA THR A 8 -5.460 -9.287 -12.327 1.00 0.00 H new ATOM 0 HB THR A 8 -6.176 -10.346 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.338 -11.780 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.573 -12.112 -11.219 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.549 -10.614 -12.180 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.578 -12.015 -12.692 1.00 0.00 H new ATOM 22 N ARG A 9 -3.134 -8.367 -11.384 1.00 0.00 N ATOM 23 CA ARG A 9 -2.201 -7.579 -10.585 1.00 0.00 C ATOM 24 C ARG A 9 -1.422 -6.611 -11.468 1.00 0.00 C ATOM 25 O ARG A 9 -0.483 -7.006 -12.161 1.00 0.00 O ATOM 26 CB ARG A 9 -1.235 -8.499 -9.832 1.00 0.00 C ATOM 27 CG ARG A 9 -1.405 -8.451 -8.322 1.00 0.00 C ATOM 28 CD ARG A 9 -0.079 -8.207 -7.618 1.00 0.00 C ATOM 29 NE ARG A 9 0.802 -9.370 -7.691 1.00 0.00 N ATOM 30 CZ ARG A 9 2.055 -9.380 -7.242 1.00 0.00 C ATOM 31 NH1 ARG A 9 2.577 -8.292 -6.688 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.787 -10.479 -7.346 1.00 0.00 N ATOM 0 H ARG A 9 -3.113 -8.158 -12.382 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.775 -7.002 -9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.381 -9.524 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.211 -8.222 -10.083 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.108 -7.661 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.836 -9.390 -7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.418 -7.347 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.264 -7.957 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 9 0.435 -10.224 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.017 -7.443 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.538 -8.305 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.391 -11.318 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.747 -10.487 -7.002 1.00 0.00 H new ATOM 46 N GLU A 10 -1.819 -5.343 -11.445 1.00 0.00 N ATOM 47 CA GLU A 10 -1.157 -4.321 -12.250 1.00 0.00 C ATOM 48 C GLU A 10 -0.439 -3.305 -11.369 1.00 0.00 C ATOM 49 O GLU A 10 -0.918 -2.954 -10.290 1.00 0.00 O ATOM 50 CB GLU A 10 -2.175 -3.607 -13.141 1.00 0.00 C ATOM 51 CG GLU A 10 -3.469 -3.252 -12.426 1.00 0.00 C ATOM 52 CD GLU A 10 -4.482 -2.597 -13.344 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.066 -2.009 -14.365 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.692 -2.672 -13.041 1.00 0.00 O ATOM 0 H GLU A 10 -2.594 -4.998 -10.879 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.415 -4.817 -12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.725 -2.695 -13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.405 -4.242 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.903 -4.156 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.249 -2.580 -11.596 1.00 0.00 H new ATOM 61 N PHE A 11 0.710 -2.833 -11.841 1.00 0.00 N ATOM 62 CA PHE A 11 1.496 -1.850 -11.102 1.00 0.00 C ATOM 63 C PHE A 11 1.031 -0.436 -11.436 1.00 0.00 C ATOM 64 O PHE A 11 0.835 -0.098 -12.604 1.00 0.00 O ATOM 65 CB PHE A 11 2.983 -2.002 -11.429 1.00 0.00 C ATOM 66 CG PHE A 11 3.618 -3.207 -10.798 1.00 0.00 C ATOM 67 CD1 PHE A 11 3.103 -4.474 -11.016 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.732 -3.071 -9.983 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.688 -5.584 -10.435 1.00 0.00 C ATOM 70 CE2 PHE A 11 5.320 -4.177 -9.401 1.00 0.00 C ATOM 71 CZ PHE A 11 4.797 -5.435 -9.627 1.00 0.00 C ATOM 0 H PHE A 11 1.118 -3.115 -12.732 1.00 0.00 H new ATOM 0 HA PHE A 11 1.350 -2.025 -10.036 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.104 -2.063 -12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.512 -1.108 -11.099 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.235 -4.596 -11.647 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.144 -2.089 -9.801 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.277 -6.567 -10.613 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.188 -4.058 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.255 -6.301 -9.172 1.00 0.00 H new ATOM 81 N LEU A 12 0.849 0.385 -10.408 1.00 0.00 N ATOM 82 CA LEU A 12 0.399 1.758 -10.604 1.00 0.00 C ATOM 83 C LEU A 12 1.283 2.745 -9.849 1.00 0.00 C ATOM 84 O LEU A 12 1.625 2.527 -8.686 1.00 0.00 O ATOM 85 CB LEU A 12 -1.054 1.913 -10.148 1.00 0.00 C ATOM 86 CG LEU A 12 -1.973 0.748 -10.515 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.097 0.616 -9.499 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.537 0.935 -11.916 1.00 0.00 C ATOM 0 H LEU A 12 1.005 0.125 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 12 0.469 1.980 -11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.068 2.040 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.460 2.827 -10.582 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.387 -0.171 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.742 -0.218 -9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.675 0.436 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.682 1.536 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.189 0.096 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.108 1.863 -11.958 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.719 0.980 -12.635 1.00 0.00 H new ATOM 100 N THR A 13 1.639 3.834 -10.519 1.00 0.00 N ATOM 101 CA THR A 13 2.474 4.867 -9.918 1.00 0.00 C ATOM 102 C THR A 13 1.627 6.064 -9.508 1.00 0.00 C ATOM 103 O THR A 13 0.744 6.490 -10.253 1.00 0.00 O ATOM 104 CB THR A 13 3.560 5.313 -10.896 1.00 0.00 C ATOM 105 OG1 THR A 13 4.222 4.195 -11.460 1.00 0.00 O ATOM 106 CG2 THR A 13 4.609 6.198 -10.258 1.00 0.00 C ATOM 0 H THR A 13 1.362 4.025 -11.482 1.00 0.00 H new ATOM 0 HA THR A 13 2.948 4.448 -9.030 1.00 0.00 H new ATOM 0 HB THR A 13 3.040 5.887 -11.663 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.912 4.504 -12.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.351 6.480 -11.005 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.135 7.096 -9.861 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.098 5.657 -9.448 1.00 0.00 H new ATOM 114 N PHE A 14 1.888 6.603 -8.322 1.00 0.00 N ATOM 115 CA PHE A 14 1.126 7.747 -7.832 1.00 0.00 C ATOM 116 C PHE A 14 2.033 8.817 -7.230 1.00 0.00 C ATOM 117 O PHE A 14 2.878 8.530 -6.383 1.00 0.00 O ATOM 118 CB PHE A 14 0.099 7.295 -6.793 1.00 0.00 C ATOM 119 CG PHE A 14 -0.871 6.269 -7.310 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.417 6.387 -8.577 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.236 5.187 -6.523 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.309 5.444 -9.053 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.129 4.243 -6.993 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.667 4.371 -8.259 1.00 0.00 C ATOM 0 H PHE A 14 2.614 6.271 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 14 0.611 8.185 -8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.624 6.884 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.457 8.164 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.143 7.225 -9.200 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.818 5.081 -5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.726 5.546 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.406 3.405 -6.371 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.366 3.634 -8.627 1.00 0.00 H new ATOM 134 N GLU A 15 1.832 10.056 -7.669 1.00 0.00 N ATOM 135 CA GLU A 15 2.605 11.189 -7.174 1.00 0.00 C ATOM 136 C GLU A 15 1.826 11.907 -6.078 1.00 0.00 C ATOM 137 O GLU A 15 0.826 12.569 -6.352 1.00 0.00 O ATOM 138 CB GLU A 15 2.916 12.155 -8.319 1.00 0.00 C ATOM 139 CG GLU A 15 3.502 11.472 -9.543 1.00 0.00 C ATOM 140 CD GLU A 15 2.462 11.203 -10.614 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.497 10.461 -10.332 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.613 11.734 -11.734 1.00 0.00 O ATOM 0 H GLU A 15 1.135 10.301 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 15 3.545 10.824 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.001 12.674 -8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.615 12.913 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.293 12.096 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.962 10.530 -9.244 1.00 0.00 H new ATOM 149 N VAL A 16 2.276 11.756 -4.837 1.00 0.00 N ATOM 150 CA VAL A 16 1.601 12.377 -3.701 1.00 0.00 C ATOM 151 C VAL A 16 2.339 13.625 -3.220 1.00 0.00 C ATOM 152 O VAL A 16 3.387 13.527 -2.583 1.00 0.00 O ATOM 153 CB VAL A 16 1.458 11.394 -2.516 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.128 11.607 -1.810 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.591 9.951 -2.982 1.00 0.00 C ATOM 0 H VAL A 16 3.103 11.211 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 16 0.609 12.661 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 16 2.264 11.594 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.042 10.908 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.076 12.628 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.688 11.438 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.486 9.282 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.813 9.731 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.570 9.805 -3.439 1.00 0.00 H new ATOM 165 N PRO A 17 1.799 14.822 -3.523 1.00 0.00 N ATOM 166 CA PRO A 17 2.411 16.089 -3.120 1.00 0.00 C ATOM 167 C PRO A 17 2.197 16.396 -1.641 1.00 0.00 C ATOM 168 O PRO A 17 1.161 16.938 -1.258 1.00 0.00 O ATOM 169 CB PRO A 17 1.698 17.140 -3.990 1.00 0.00 C ATOM 170 CG PRO A 17 0.814 16.375 -4.924 1.00 0.00 C ATOM 171 CD PRO A 17 0.563 15.045 -4.277 1.00 0.00 C ATOM 0 HA PRO A 17 3.492 16.070 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.115 17.825 -3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.419 17.743 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.122 16.906 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.292 16.250 -5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.311 15.069 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.390 14.261 -5.014 1.00 0.00 H new ATOM 179 N LEU A 18 3.187 16.063 -0.812 1.00 0.00 N ATOM 180 CA LEU A 18 3.098 16.318 0.625 1.00 0.00 C ATOM 181 C LEU A 18 3.598 17.718 0.963 1.00 0.00 C ATOM 182 O LEU A 18 4.027 17.985 2.085 1.00 0.00 O ATOM 183 CB LEU A 18 3.901 15.281 1.400 1.00 0.00 C ATOM 184 CG LEU A 18 5.411 15.429 1.265 1.00 0.00 C ATOM 185 CD1 LEU A 18 6.001 16.085 2.508 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.062 14.078 1.010 1.00 0.00 C ATOM 0 H LEU A 18 4.055 15.618 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 18 2.049 16.246 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.634 15.346 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.613 14.287 1.059 1.00 0.00 H new ATOM 0 HG LEU A 18 5.616 16.073 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.080 16.181 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.561 17.073 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.784 15.470 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.140 14.206 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.847 13.408 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.666 13.651 0.088 1.00 0.00 H new ATOM 198 N ASN A 19 3.534 18.602 -0.022 1.00 0.00 N ATOM 199 CA ASN A 19 3.966 19.984 0.132 1.00 0.00 C ATOM 200 C ASN A 19 3.484 20.589 1.452 1.00 0.00 C ATOM 201 O ASN A 19 4.108 21.506 1.986 1.00 0.00 O ATOM 202 CB ASN A 19 3.448 20.811 -1.048 1.00 0.00 C ATOM 203 CG ASN A 19 1.972 21.165 -0.922 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.140 20.178 -0.588 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.583 22.315 -1.124 1.00 0.00 N flip ATOM 0 H ASN A 19 3.180 18.381 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 19 5.056 20.000 0.148 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.031 21.729 -1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.605 20.254 -1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.252 23.042 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.592 22.541 -1.038 1.00 0.00 H new ATOM 212 N ASP A 20 2.371 20.078 1.968 1.00 0.00 N ATOM 213 CA ASP A 20 1.813 20.583 3.217 1.00 0.00 C ATOM 214 C ASP A 20 1.230 19.455 4.068 1.00 0.00 C ATOM 215 O ASP A 20 0.442 19.703 4.981 1.00 0.00 O ATOM 216 CB ASP A 20 0.734 21.628 2.932 1.00 0.00 C ATOM 217 CG ASP A 20 0.484 22.541 4.117 1.00 0.00 C ATOM 218 OD1 ASP A 20 0.838 22.153 5.248 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.065 23.643 3.911 1.00 0.00 O ATOM 0 H ASP A 20 1.840 19.318 1.543 1.00 0.00 H new ATOM 0 HA ASP A 20 2.625 21.045 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.031 22.228 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.194 21.124 2.664 1.00 0.00 H new ATOM 224 N SER A 21 1.621 18.219 3.770 1.00 0.00 N ATOM 225 CA SER A 21 1.135 17.067 4.519 1.00 0.00 C ATOM 226 C SER A 21 2.268 16.395 5.295 1.00 0.00 C ATOM 227 O SER A 21 2.027 15.530 6.138 1.00 0.00 O ATOM 228 CB SER A 21 0.475 16.058 3.580 1.00 0.00 C ATOM 229 OG SER A 21 1.441 15.366 2.810 1.00 0.00 O ATOM 0 H SER A 21 2.271 17.991 3.018 1.00 0.00 H new ATOM 0 HA SER A 21 0.394 17.424 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.109 15.345 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.220 16.574 2.918 1.00 0.00 H new ATOM 0 HG SER A 21 1.022 15.017 1.996 1.00 0.00 H new ATOM 235 N GLY A 22 3.506 16.798 5.008 1.00 0.00 N ATOM 236 CA GLY A 22 4.651 16.225 5.691 1.00 0.00 C ATOM 237 C GLY A 22 4.545 16.330 7.199 1.00 0.00 C ATOM 238 O GLY A 22 5.045 15.469 7.924 1.00 0.00 O ATOM 0 H GLY A 22 3.734 17.511 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.749 15.176 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.558 16.730 5.358 1.00 0.00 H new ATOM 242 N SER A 23 3.888 17.384 7.676 1.00 0.00 N ATOM 243 CA SER A 23 3.714 17.593 9.110 1.00 0.00 C ATOM 244 C SER A 23 3.093 16.362 9.761 1.00 0.00 C ATOM 245 O SER A 23 3.442 15.993 10.883 1.00 0.00 O ATOM 246 CB SER A 23 2.837 18.820 9.366 1.00 0.00 C ATOM 247 OG SER A 23 1.462 18.504 9.224 1.00 0.00 O ATOM 0 H SER A 23 3.468 18.106 7.091 1.00 0.00 H new ATOM 0 HA SER A 23 4.696 17.762 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.024 19.201 10.370 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.105 19.614 8.669 1.00 0.00 H new ATOM 0 HG SER A 23 0.923 19.305 9.394 1.00 0.00 H new ATOM 253 N ALA A 24 2.177 15.724 9.041 1.00 0.00 N ATOM 254 CA ALA A 24 1.508 14.527 9.531 1.00 0.00 C ATOM 255 C ALA A 24 2.099 13.274 8.891 1.00 0.00 C ATOM 256 O ALA A 24 1.974 12.173 9.427 1.00 0.00 O ATOM 257 CB ALA A 24 0.014 14.608 9.256 1.00 0.00 C ATOM 0 H ALA A 24 1.880 16.019 8.111 1.00 0.00 H new ATOM 0 HA ALA A 24 1.664 14.465 10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.474 13.707 9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.402 15.480 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.154 14.695 8.183 1.00 0.00 H new ATOM 263 N GLY A 25 2.739 13.452 7.739 1.00 0.00 N ATOM 264 CA GLY A 25 3.339 12.334 7.038 1.00 0.00 C ATOM 265 C GLY A 25 3.027 12.357 5.555 1.00 0.00 C ATOM 266 O GLY A 25 3.934 12.403 4.725 1.00 0.00 O ATOM 0 H GLY A 25 2.852 14.355 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.419 12.355 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.978 11.400 7.469 1.00 0.00 H new ATOM 270 N LEU A 26 1.741 12.332 5.224 1.00 0.00 N ATOM 271 CA LEU A 26 1.315 12.358 3.829 1.00 0.00 C ATOM 272 C LEU A 26 -0.204 12.389 3.711 1.00 0.00 C ATOM 273 O LEU A 26 -0.749 13.020 2.803 1.00 0.00 O ATOM 274 CB LEU A 26 1.862 11.145 3.078 1.00 0.00 C ATOM 275 CG LEU A 26 1.569 11.141 1.578 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.144 12.386 0.922 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.130 9.888 0.927 1.00 0.00 C ATOM 0 H LEU A 26 0.978 12.294 5.899 1.00 0.00 H new ATOM 0 HA LEU A 26 1.714 13.269 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.941 11.100 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.442 10.241 3.519 1.00 0.00 H new ATOM 0 HG LEU A 26 0.488 11.145 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.927 12.368 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.695 13.273 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.223 12.411 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.911 9.904 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.209 9.853 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.673 9.008 1.378 1.00 0.00 H new ATOM 289 N GLY A 27 -0.888 11.705 4.622 1.00 0.00 N ATOM 290 CA GLY A 27 -2.332 11.669 4.583 1.00 0.00 C ATOM 291 C GLY A 27 -2.867 10.269 4.366 1.00 0.00 C ATOM 292 O GLY A 27 -3.789 10.066 3.578 1.00 0.00 O ATOM 0 H GLY A 27 -0.465 11.176 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.728 12.066 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.688 12.319 3.784 1.00 0.00 H new ATOM 296 N VAL A 28 -2.295 9.300 5.074 1.00 0.00 N ATOM 297 CA VAL A 28 -2.735 7.913 4.962 1.00 0.00 C ATOM 298 C VAL A 28 -1.822 6.969 5.736 1.00 0.00 C ATOM 299 O VAL A 28 -0.657 7.272 5.992 1.00 0.00 O ATOM 300 CB VAL A 28 -2.838 7.452 3.486 1.00 0.00 C ATOM 301 CG1 VAL A 28 -1.662 7.961 2.665 1.00 0.00 C ATOM 302 CG2 VAL A 28 -2.948 5.936 3.375 1.00 0.00 C ATOM 0 H VAL A 28 -1.528 9.449 5.730 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.732 7.873 5.402 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.753 7.885 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.763 7.621 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.647 9.051 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.732 7.577 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.018 5.652 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.066 5.474 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.839 5.596 3.903 1.00 0.00 H new ATOM 312 N SER A 29 -2.375 5.818 6.096 1.00 0.00 N ATOM 313 CA SER A 29 -1.645 4.797 6.833 1.00 0.00 C ATOM 314 C SER A 29 -1.848 3.437 6.174 1.00 0.00 C ATOM 315 O SER A 29 -2.849 3.215 5.491 1.00 0.00 O ATOM 316 CB SER A 29 -2.112 4.753 8.289 1.00 0.00 C ATOM 317 OG SER A 29 -1.266 5.530 9.119 1.00 0.00 O ATOM 0 H SER A 29 -3.341 5.567 5.885 1.00 0.00 H new ATOM 0 HA SER A 29 -0.584 5.045 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.135 5.124 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.123 3.721 8.640 1.00 0.00 H new ATOM 0 HG SER A 29 -1.586 5.487 10.044 1.00 0.00 H new ATOM 323 N VAL A 30 -0.897 2.533 6.371 1.00 0.00 N ATOM 324 CA VAL A 30 -0.983 1.206 5.778 1.00 0.00 C ATOM 325 C VAL A 30 -0.536 0.121 6.753 1.00 0.00 C ATOM 326 O VAL A 30 0.332 0.347 7.594 1.00 0.00 O ATOM 327 CB VAL A 30 -0.125 1.111 4.500 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.610 2.098 3.447 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.343 1.348 4.823 1.00 0.00 C ATOM 0 H VAL A 30 -0.062 2.694 6.934 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.032 1.046 5.527 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.229 0.105 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.010 2.012 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.646 1.877 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.542 3.112 3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.933 1.277 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.464 2.340 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.685 0.596 5.535 1.00 0.00 H new ATOM 339 N LYS A 31 -1.126 -1.062 6.616 1.00 0.00 N ATOM 340 CA LYS A 31 -0.779 -2.192 7.468 1.00 0.00 C ATOM 341 C LYS A 31 -0.120 -3.287 6.639 1.00 0.00 C ATOM 342 O LYS A 31 -0.207 -3.278 5.412 1.00 0.00 O ATOM 343 CB LYS A 31 -2.020 -2.734 8.183 1.00 0.00 C ATOM 344 CG LYS A 31 -3.236 -2.866 7.284 1.00 0.00 C ATOM 345 CD LYS A 31 -2.924 -3.701 6.058 1.00 0.00 C ATOM 346 CE LYS A 31 -4.183 -4.298 5.453 1.00 0.00 C ATOM 347 NZ LYS A 31 -3.932 -5.639 4.853 1.00 0.00 N ATOM 0 H LYS A 31 -1.847 -1.262 5.923 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.074 -1.852 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.786 -3.710 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.265 -2.075 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.054 -3.323 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.573 -1.876 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.420 -3.083 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.235 -4.501 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.950 -4.383 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.572 -3.626 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.549 -5.770 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.937 -5.706 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.134 -6.378 5.557 1.00 0.00 H new ATOM 361 N GLY A 32 0.543 -4.223 7.306 1.00 0.00 N ATOM 362 CA GLY A 32 1.209 -5.301 6.598 1.00 0.00 C ATOM 363 C GLY A 32 0.630 -6.662 6.922 1.00 0.00 C ATOM 364 O GLY A 32 0.170 -6.901 8.038 1.00 0.00 O ATOM 0 H GLY A 32 0.632 -4.256 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.134 -5.126 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.270 -5.293 6.849 1.00 0.00 H new ATOM 368 N ASN A 33 0.655 -7.557 5.941 1.00 0.00 N ATOM 369 CA ASN A 33 0.132 -8.906 6.124 1.00 0.00 C ATOM 370 C ASN A 33 1.116 -9.946 5.599 1.00 0.00 C ATOM 371 O ASN A 33 2.102 -9.608 4.944 1.00 0.00 O ATOM 372 CB ASN A 33 -1.215 -9.056 5.413 1.00 0.00 C ATOM 373 CG ASN A 33 -2.389 -8.833 6.346 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.182 -9.741 6.591 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.507 -7.618 6.869 1.00 0.00 N ATOM 0 H ASN A 33 1.032 -7.373 5.011 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.009 -9.072 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.269 -8.345 4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.284 -10.053 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.279 -7.408 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.826 -6.895 6.638 1.00 0.00 H new ATOM 382 N ARG A 34 0.839 -11.212 5.889 1.00 0.00 N ATOM 383 CA ARG A 34 1.699 -12.303 5.444 1.00 0.00 C ATOM 384 C ARG A 34 0.887 -13.370 4.719 1.00 0.00 C ATOM 385 O ARG A 34 -0.342 -13.381 4.785 1.00 0.00 O ATOM 386 CB ARG A 34 2.436 -12.923 6.634 1.00 0.00 C ATOM 387 CG ARG A 34 1.539 -13.212 7.826 1.00 0.00 C ATOM 388 CD ARG A 34 0.775 -14.515 7.649 1.00 0.00 C ATOM 389 NE ARG A 34 -0.630 -14.284 7.326 1.00 0.00 N ATOM 390 CZ ARG A 34 -1.497 -13.709 8.154 1.00 0.00 C ATOM 391 NH1 ARG A 34 -1.108 -13.302 9.356 1.00 0.00 N ATOM 392 NH2 ARG A 34 -2.758 -13.536 7.779 1.00 0.00 N ATOM 0 H ARG A 34 0.027 -11.509 6.430 1.00 0.00 H new ATOM 0 HA ARG A 34 2.433 -11.894 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.909 -13.851 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.234 -12.250 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.143 -13.264 8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.834 -12.391 7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.238 -15.102 6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.845 -15.104 8.564 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.967 -14.582 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.139 -13.430 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.778 -12.862 9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.062 -13.844 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.423 -13.095 8.414 1.00 0.00 H new ATOM 406 N SER A 35 1.582 -14.265 4.024 1.00 0.00 N ATOM 407 CA SER A 35 0.926 -15.337 3.280 1.00 0.00 C ATOM 408 C SER A 35 -0.100 -16.062 4.147 1.00 0.00 C ATOM 409 O SER A 35 0.168 -16.392 5.302 1.00 0.00 O ATOM 410 CB SER A 35 1.966 -16.333 2.762 1.00 0.00 C ATOM 411 OG SER A 35 1.346 -17.515 2.286 1.00 0.00 O ATOM 0 H SER A 35 2.600 -14.270 3.960 1.00 0.00 H new ATOM 0 HA SER A 35 0.404 -14.889 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.546 -15.875 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.666 -16.581 3.560 1.00 0.00 H new ATOM 0 HG SER A 35 1.951 -18.276 2.414 1.00 0.00 H new ATOM 417 N LYS A 36 -1.278 -16.302 3.582 1.00 0.00 N ATOM 418 CA LYS A 36 -2.347 -16.987 4.301 1.00 0.00 C ATOM 419 C LYS A 36 -2.007 -18.460 4.527 1.00 0.00 C ATOM 420 O LYS A 36 -2.670 -19.142 5.308 1.00 0.00 O ATOM 421 CB LYS A 36 -3.664 -16.867 3.532 1.00 0.00 C ATOM 422 CG LYS A 36 -4.499 -15.666 3.941 1.00 0.00 C ATOM 423 CD LYS A 36 -3.848 -14.361 3.514 1.00 0.00 C ATOM 424 CE LYS A 36 -4.193 -13.227 4.468 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.058 -12.277 4.636 1.00 0.00 N ATOM 0 H LYS A 36 -1.517 -16.032 2.628 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.455 -16.509 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.448 -16.803 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.248 -17.774 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.490 -15.742 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.636 -15.668 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.766 -14.489 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.175 -14.103 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.064 -12.689 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.467 -13.640 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.229 -11.676 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.176 -12.811 4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.976 -11.681 3.788 1.00 0.00 H new ATOM 439 N GLU A 37 -0.975 -18.945 3.842 1.00 0.00 N ATOM 440 CA GLU A 37 -0.558 -20.334 3.975 1.00 0.00 C ATOM 441 C GLU A 37 0.616 -20.464 4.941 1.00 0.00 C ATOM 442 O GLU A 37 0.775 -21.489 5.604 1.00 0.00 O ATOM 443 CB GLU A 37 -0.175 -20.907 2.609 1.00 0.00 C ATOM 444 CG GLU A 37 -1.260 -20.750 1.558 1.00 0.00 C ATOM 445 CD GLU A 37 -1.304 -21.915 0.587 1.00 0.00 C ATOM 446 OE1 GLU A 37 -0.325 -22.096 -0.167 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.317 -22.646 0.583 1.00 0.00 O ATOM 0 H GLU A 37 -0.414 -18.396 3.191 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.398 -20.900 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.732 -20.414 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.060 -21.965 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.228 -20.656 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.093 -19.826 1.004 1.00 0.00 H new ATOM 454 N ASN A 38 1.438 -19.421 5.013 1.00 0.00 N ATOM 455 CA ASN A 38 2.597 -19.423 5.897 1.00 0.00 C ATOM 456 C ASN A 38 2.933 -18.009 6.364 1.00 0.00 C ATOM 457 O ASN A 38 2.511 -17.028 5.752 1.00 0.00 O ATOM 458 CB ASN A 38 3.804 -20.045 5.185 1.00 0.00 C ATOM 459 CG ASN A 38 4.360 -19.155 4.088 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.561 -18.915 3.054 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 5.496 -18.688 4.169 1.00 0.00 N flip ATOM 0 H ASN A 38 1.322 -18.565 4.470 1.00 0.00 H new ATOM 0 HA ASN A 38 2.354 -20.022 6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.587 -20.247 5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.513 -21.004 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.077 -18.897 4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.856 -18.092 3.424 1.00 0.00 H new ATOM 468 N HIS A 39 3.699 -17.913 7.446 1.00 0.00 N ATOM 469 CA HIS A 39 4.093 -16.618 7.988 1.00 0.00 C ATOM 470 C HIS A 39 5.075 -15.918 7.053 1.00 0.00 C ATOM 471 O HIS A 39 6.259 -15.786 7.363 1.00 0.00 O ATOM 472 CB HIS A 39 4.719 -16.792 9.375 1.00 0.00 C ATOM 473 CG HIS A 39 3.778 -16.485 10.498 1.00 0.00 C ATOM 474 ND1 HIS A 39 3.545 -17.351 11.546 1.00 0.00 N ATOM 475 CD2 HIS A 39 3.007 -15.396 10.736 1.00 0.00 C ATOM 476 CE1 HIS A 39 2.673 -16.810 12.379 1.00 0.00 C ATOM 477 NE2 HIS A 39 2.333 -15.624 11.911 1.00 0.00 N ATOM 0 H HIS A 39 4.059 -18.715 7.964 1.00 0.00 H new ATOM 0 HA HIS A 39 3.201 -15.998 8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.074 -17.817 9.479 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.591 -16.143 9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.936 -14.514 10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.302 -17.261 13.287 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.676 -14.980 12.351 1.00 0.00 H new ATOM 486 N ALA A 40 4.573 -15.475 5.905 1.00 0.00 N ATOM 487 CA ALA A 40 5.403 -14.793 4.920 1.00 0.00 C ATOM 488 C ALA A 40 4.863 -13.400 4.613 1.00 0.00 C ATOM 489 O ALA A 40 3.941 -13.243 3.814 1.00 0.00 O ATOM 490 CB ALA A 40 5.490 -15.619 3.645 1.00 0.00 C ATOM 0 H ALA A 40 3.595 -15.576 5.634 1.00 0.00 H new ATOM 0 HA ALA A 40 6.403 -14.681 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.113 -15.099 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.929 -16.591 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.490 -15.759 3.233 1.00 0.00 H new ATOM 496 N ASP A 41 5.446 -12.391 5.254 1.00 0.00 N ATOM 497 CA ASP A 41 5.025 -11.006 5.048 1.00 0.00 C ATOM 498 C ASP A 41 5.027 -10.650 3.565 1.00 0.00 C ATOM 499 O ASP A 41 6.080 -10.608 2.928 1.00 0.00 O ATOM 500 CB ASP A 41 5.943 -10.053 5.815 1.00 0.00 C ATOM 501 CG ASP A 41 5.703 -10.098 7.312 1.00 0.00 C ATOM 502 OD1 ASP A 41 4.527 -10.014 7.728 1.00 0.00 O ATOM 503 OD2 ASP A 41 6.689 -10.216 8.068 1.00 0.00 O ATOM 0 H ASP A 41 6.210 -12.505 5.920 1.00 0.00 H new ATOM 0 HA ASP A 41 4.008 -10.902 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.982 -10.309 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.788 -9.036 5.455 1.00 0.00 H new ATOM 508 N LEU A 42 3.842 -10.396 3.021 1.00 0.00 N ATOM 509 CA LEU A 42 3.707 -10.044 1.612 1.00 0.00 C ATOM 510 C LEU A 42 4.055 -8.579 1.379 1.00 0.00 C ATOM 511 O LEU A 42 5.045 -8.261 0.720 1.00 0.00 O ATOM 512 CB LEU A 42 2.282 -10.328 1.129 1.00 0.00 C ATOM 513 CG LEU A 42 1.762 -11.733 1.436 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.257 -11.801 1.233 1.00 0.00 C ATOM 515 CD2 LEU A 42 2.464 -12.764 0.565 1.00 0.00 C ATOM 0 H LEU A 42 2.961 -10.427 3.534 1.00 0.00 H new ATOM 0 HA LEU A 42 4.405 -10.657 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.609 -9.601 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.242 -10.170 0.051 1.00 0.00 H new ATOM 0 HG LEU A 42 1.979 -11.959 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.095 -12.808 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.232 -11.090 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.018 -11.554 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.081 -13.758 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.278 -12.540 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.536 -12.734 0.758 1.00 0.00 H new ATOM 527 N GLY A 43 3.232 -7.693 1.922 1.00 0.00 N ATOM 528 CA GLY A 43 3.465 -6.268 1.764 1.00 0.00 C ATOM 529 C GLY A 43 2.515 -5.429 2.595 1.00 0.00 C ATOM 530 O GLY A 43 1.918 -5.918 3.556 1.00 0.00 O ATOM 0 H GLY A 43 2.406 -7.934 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.492 -6.037 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.357 -6.000 0.713 1.00 0.00 H new ATOM 534 N ILE A 44 2.372 -4.158 2.223 1.00 0.00 N ATOM 535 CA ILE A 44 1.487 -3.248 2.940 1.00 0.00 C ATOM 536 C ILE A 44 0.266 -2.888 2.093 1.00 0.00 C ATOM 537 O ILE A 44 0.266 -3.076 0.877 1.00 0.00 O ATOM 538 CB ILE A 44 2.206 -1.944 3.371 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.721 -2.062 3.187 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.880 -1.613 4.819 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.361 -3.112 4.073 1.00 0.00 C ATOM 0 H ILE A 44 2.858 -3.738 1.431 1.00 0.00 H new ATOM 0 HA ILE A 44 1.168 -3.777 3.838 1.00 0.00 H new ATOM 0 HB ILE A 44 1.847 -1.137 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.934 -2.299 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.180 -1.095 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.392 -0.695 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.804 -1.477 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.210 -2.429 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.435 -3.139 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.179 -2.865 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.930 -4.088 3.850 1.00 0.00 H new ATOM 553 N PHE A 45 -0.771 -2.379 2.750 1.00 0.00 N ATOM 554 CA PHE A 45 -2.007 -1.997 2.071 1.00 0.00 C ATOM 555 C PHE A 45 -2.617 -0.766 2.728 1.00 0.00 C ATOM 556 O PHE A 45 -2.670 -0.670 3.954 1.00 0.00 O ATOM 557 CB PHE A 45 -3.015 -3.154 2.101 1.00 0.00 C ATOM 558 CG PHE A 45 -2.380 -4.517 2.088 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.686 -4.982 3.193 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.478 -5.333 0.972 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.100 -6.233 3.187 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.895 -6.587 0.960 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.205 -7.037 2.069 1.00 0.00 C ATOM 0 H PHE A 45 -0.781 -2.220 3.758 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.768 -1.763 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.633 -3.061 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.680 -3.066 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.602 -4.358 4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.016 -4.986 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.561 -6.582 4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.979 -7.214 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.749 -8.016 2.062 1.00 0.00 H new ATOM 573 N VAL A 46 -3.083 0.171 1.908 1.00 0.00 N ATOM 574 CA VAL A 46 -3.695 1.393 2.420 1.00 0.00 C ATOM 575 C VAL A 46 -4.787 1.069 3.432 1.00 0.00 C ATOM 576 O VAL A 46 -5.821 0.497 3.087 1.00 0.00 O ATOM 577 CB VAL A 46 -4.284 2.237 1.279 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.761 3.587 1.795 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.265 2.411 0.162 1.00 0.00 C ATOM 0 H VAL A 46 -3.049 0.108 0.890 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.912 1.969 2.914 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.147 1.709 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.174 4.167 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.530 3.436 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.921 4.127 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.700 3.011 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.380 2.913 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.985 1.433 -0.230 1.00 0.00 H new ATOM 589 N LYS A 47 -4.538 1.420 4.690 1.00 0.00 N ATOM 590 CA LYS A 47 -5.482 1.148 5.766 1.00 0.00 C ATOM 591 C LYS A 47 -6.448 2.308 5.982 1.00 0.00 C ATOM 592 O LYS A 47 -7.610 2.096 6.327 1.00 0.00 O ATOM 593 CB LYS A 47 -4.720 0.857 7.062 1.00 0.00 C ATOM 594 CG LYS A 47 -5.614 0.675 8.277 1.00 0.00 C ATOM 595 CD LYS A 47 -6.664 -0.400 8.042 1.00 0.00 C ATOM 596 CE LYS A 47 -6.039 -1.786 8.000 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.917 -2.810 8.629 1.00 0.00 N ATOM 0 H LYS A 47 -3.686 1.895 4.989 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.071 0.277 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.122 -0.044 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.025 1.674 7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.005 0.408 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.105 1.619 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.411 -0.360 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.183 -0.205 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.841 -2.064 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.078 -1.767 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.455 -3.741 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.085 -2.559 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.825 -2.847 8.123 1.00 0.00 H new ATOM 611 N SER A 48 -5.969 3.531 5.792 1.00 0.00 N ATOM 612 CA SER A 48 -6.817 4.703 5.983 1.00 0.00 C ATOM 613 C SER A 48 -6.148 5.957 5.444 1.00 0.00 C ATOM 614 O SER A 48 -4.963 6.183 5.668 1.00 0.00 O ATOM 615 CB SER A 48 -7.143 4.882 7.468 1.00 0.00 C ATOM 616 OG SER A 48 -8.545 4.895 7.684 1.00 0.00 O ATOM 0 H SER A 48 -5.011 3.737 5.510 1.00 0.00 H new ATOM 0 HA SER A 48 -7.742 4.544 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.691 4.074 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.707 5.813 7.830 1.00 0.00 H new ATOM 0 HG SER A 48 -8.728 5.009 8.640 1.00 0.00 H new ATOM 622 N ILE A 49 -6.915 6.768 4.727 1.00 0.00 N ATOM 623 CA ILE A 49 -6.393 7.998 4.146 1.00 0.00 C ATOM 624 C ILE A 49 -6.965 9.228 4.843 1.00 0.00 C ATOM 625 O ILE A 49 -8.078 9.203 5.367 1.00 0.00 O ATOM 626 CB ILE A 49 -6.703 8.072 2.638 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.527 6.695 1.994 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.818 9.100 1.952 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.846 6.667 0.517 1.00 0.00 C ATOM 0 H ILE A 49 -7.902 6.596 4.534 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.312 7.986 4.288 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.740 8.385 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.499 6.365 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.168 5.979 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.056 9.133 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.991 10.081 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.772 8.823 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.698 5.658 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.883 6.966 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.188 7.357 -0.011 1.00 0.00 H new ATOM 641 N ILE A 50 -6.187 10.302 4.835 1.00 0.00 N ATOM 642 CA ILE A 50 -6.588 11.560 5.455 1.00 0.00 C ATOM 643 C ILE A 50 -7.035 12.559 4.393 1.00 0.00 C ATOM 644 O ILE A 50 -6.203 13.167 3.720 1.00 0.00 O ATOM 645 CB ILE A 50 -5.429 12.182 6.270 1.00 0.00 C ATOM 646 CG1 ILE A 50 -5.022 11.271 7.432 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.818 13.559 6.794 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.076 10.159 7.043 1.00 0.00 C ATOM 0 H ILE A 50 -5.264 10.327 4.401 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.416 11.340 6.129 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.574 12.290 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.554 11.877 8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.920 10.833 7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.989 13.979 7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.051 14.215 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.693 13.469 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.837 9.560 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.547 9.527 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.160 10.587 6.635 1.00 0.00 H new ATOM 660 N ASN A 51 -8.345 12.726 4.248 1.00 0.00 N ATOM 661 CA ASN A 51 -8.891 13.656 3.264 1.00 0.00 C ATOM 662 C ASN A 51 -8.523 15.097 3.610 1.00 0.00 C ATOM 663 O ASN A 51 -9.356 15.865 4.089 1.00 0.00 O ATOM 664 CB ASN A 51 -10.409 13.514 3.180 1.00 0.00 C ATOM 665 CG ASN A 51 -11.067 13.492 4.545 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.277 12.294 5.079 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.381 14.538 5.114 1.00 0.00 N flip ATOM 0 H ASN A 51 -9.048 12.231 4.797 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.456 13.411 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.816 14.340 2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.656 12.596 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.201 15.436 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.821 14.506 6.033 1.00 0.00 H new ATOM 674 N GLY A 52 -7.268 15.452 3.364 1.00 0.00 N ATOM 675 CA GLY A 52 -6.804 16.796 3.654 1.00 0.00 C ATOM 676 C GLY A 52 -5.415 17.070 3.107 1.00 0.00 C ATOM 677 O GLY A 52 -5.075 18.217 2.815 1.00 0.00 O ATOM 0 H GLY A 52 -6.562 14.832 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.504 17.516 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.801 16.950 4.733 1.00 0.00 H new ATOM 681 N GLY A 53 -4.606 16.020 2.971 1.00 0.00 N ATOM 682 CA GLY A 53 -3.257 16.189 2.461 1.00 0.00 C ATOM 683 C GLY A 53 -3.045 15.526 1.113 1.00 0.00 C ATOM 684 O GLY A 53 -3.999 15.102 0.461 1.00 0.00 O ATOM 0 H GLY A 53 -4.861 15.060 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.038 17.253 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.549 15.775 3.179 1.00 0.00 H new ATOM 688 N ALA A 54 -1.785 15.454 0.694 1.00 0.00 N ATOM 689 CA ALA A 54 -1.416 14.859 -0.590 1.00 0.00 C ATOM 690 C ALA A 54 -2.199 13.587 -0.899 1.00 0.00 C ATOM 691 O ALA A 54 -2.831 13.480 -1.949 1.00 0.00 O ATOM 692 CB ALA A 54 0.073 14.565 -0.607 1.00 0.00 C ATOM 0 H ALA A 54 -0.992 15.805 1.232 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.667 15.583 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.345 14.122 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.629 15.492 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.316 13.870 0.197 1.00 0.00 H new ATOM 698 N ALA A 55 -2.139 12.623 0.007 1.00 0.00 N ATOM 699 CA ALA A 55 -2.831 11.351 -0.184 1.00 0.00 C ATOM 700 C ALA A 55 -4.295 11.566 -0.547 1.00 0.00 C ATOM 701 O ALA A 55 -4.894 10.760 -1.260 1.00 0.00 O ATOM 702 CB ALA A 55 -2.718 10.499 1.066 1.00 0.00 C ATOM 0 H ALA A 55 -1.620 12.694 0.882 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.353 10.830 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.238 9.554 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.667 10.304 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.168 11.026 1.907 1.00 0.00 H new ATOM 708 N SER A 56 -4.864 12.662 -0.061 1.00 0.00 N ATOM 709 CA SER A 56 -6.255 12.988 -0.340 1.00 0.00 C ATOM 710 C SER A 56 -6.387 13.620 -1.716 1.00 0.00 C ATOM 711 O SER A 56 -7.095 13.107 -2.584 1.00 0.00 O ATOM 712 CB SER A 56 -6.791 13.943 0.715 1.00 0.00 C ATOM 713 OG SER A 56 -8.091 14.400 0.380 1.00 0.00 O ATOM 0 H SER A 56 -4.382 13.340 0.529 1.00 0.00 H new ATOM 0 HA SER A 56 -6.836 12.066 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.817 13.442 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.118 14.794 0.814 1.00 0.00 H new ATOM 0 HG SER A 56 -8.285 15.225 0.873 1.00 0.00 H new ATOM 719 N LYS A 57 -5.695 14.736 -1.910 1.00 0.00 N ATOM 720 CA LYS A 57 -5.729 15.440 -3.189 1.00 0.00 C ATOM 721 C LYS A 57 -5.274 14.524 -4.319 1.00 0.00 C ATOM 722 O LYS A 57 -5.628 14.731 -5.480 1.00 0.00 O ATOM 723 CB LYS A 57 -4.870 16.709 -3.156 1.00 0.00 C ATOM 724 CG LYS A 57 -3.589 16.585 -2.347 1.00 0.00 C ATOM 725 CD LYS A 57 -3.489 17.682 -1.298 1.00 0.00 C ATOM 726 CE LYS A 57 -2.054 18.151 -1.111 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.980 19.423 -0.339 1.00 0.00 N ATOM 0 H LYS A 57 -5.105 15.173 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.761 15.739 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.613 16.985 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.466 17.525 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.556 15.610 -1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.729 16.637 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.112 18.526 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.879 17.315 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.485 17.379 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.588 18.291 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.000 19.770 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.597 20.134 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.291 19.254 0.639 1.00 0.00 H new ATOM 741 N ASP A 58 -4.489 13.505 -3.972 1.00 0.00 N ATOM 742 CA ASP A 58 -3.991 12.554 -4.958 1.00 0.00 C ATOM 743 C ASP A 58 -5.143 11.966 -5.766 1.00 0.00 C ATOM 744 O ASP A 58 -5.111 11.956 -6.997 1.00 0.00 O ATOM 745 CB ASP A 58 -3.214 11.433 -4.264 1.00 0.00 C ATOM 746 CG ASP A 58 -1.735 11.464 -4.597 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.268 12.501 -5.113 1.00 0.00 O ATOM 748 OD2 ASP A 58 -1.048 10.456 -4.340 1.00 0.00 O ATOM 0 H ASP A 58 -4.186 13.319 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.323 13.082 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.343 11.519 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.630 10.470 -4.559 1.00 0.00 H new ATOM 753 N GLY A 59 -6.160 11.481 -5.063 1.00 0.00 N ATOM 754 CA GLY A 59 -7.314 10.902 -5.728 1.00 0.00 C ATOM 755 C GLY A 59 -6.999 9.594 -6.429 1.00 0.00 C ATOM 756 O GLY A 59 -7.827 9.069 -7.175 1.00 0.00 O ATOM 0 H GLY A 59 -6.207 11.478 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.103 10.734 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.702 11.614 -6.456 1.00 0.00 H new ATOM 760 N ARG A 60 -5.805 9.057 -6.186 1.00 0.00 N ATOM 761 CA ARG A 60 -5.396 7.799 -6.798 1.00 0.00 C ATOM 762 C ARG A 60 -5.190 6.721 -5.736 1.00 0.00 C ATOM 763 O ARG A 60 -4.983 5.551 -6.058 1.00 0.00 O ATOM 764 CB ARG A 60 -4.105 7.989 -7.597 1.00 0.00 C ATOM 765 CG ARG A 60 -4.104 9.229 -8.478 1.00 0.00 C ATOM 766 CD ARG A 60 -2.692 9.746 -8.714 1.00 0.00 C ATOM 767 NE ARG A 60 -2.464 11.029 -8.056 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.458 11.849 -8.358 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.576 11.515 -9.289 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.332 13.004 -7.721 1.00 0.00 N ATOM 0 H ARG A 60 -5.107 9.474 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.190 7.479 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.265 8.046 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.943 7.111 -8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.572 8.997 -9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.705 10.009 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.972 9.016 -8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.518 9.852 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.113 11.314 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.665 10.625 -9.780 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.191 12.148 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.005 13.265 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.562 13.632 -7.952 1.00 0.00 H new ATOM 784 N LEU A 61 -5.241 7.123 -4.470 1.00 0.00 N ATOM 785 CA LEU A 61 -5.051 6.195 -3.364 1.00 0.00 C ATOM 786 C LEU A 61 -6.374 5.576 -2.928 1.00 0.00 C ATOM 787 O LEU A 61 -7.422 6.220 -2.971 1.00 0.00 O ATOM 788 CB LEU A 61 -4.403 6.915 -2.180 1.00 0.00 C ATOM 789 CG LEU A 61 -2.915 7.232 -2.344 1.00 0.00 C ATOM 790 CD1 LEU A 61 -2.081 5.968 -2.208 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.652 7.906 -3.683 1.00 0.00 C ATOM 0 H LEU A 61 -5.413 8.087 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.395 5.394 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.939 7.848 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.531 6.301 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.624 7.922 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.026 6.214 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.242 5.530 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.376 5.253 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.588 8.122 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.961 7.243 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.218 8.836 -3.740 1.00 0.00 H new ATOM 803 N ARG A 62 -6.308 4.322 -2.500 1.00 0.00 N ATOM 804 CA ARG A 62 -7.487 3.598 -2.040 1.00 0.00 C ATOM 805 C ARG A 62 -7.117 2.676 -0.886 1.00 0.00 C ATOM 806 O ARG A 62 -6.082 2.012 -0.930 1.00 0.00 O ATOM 807 CB ARG A 62 -8.095 2.784 -3.185 1.00 0.00 C ATOM 808 CG ARG A 62 -9.606 2.627 -3.082 1.00 0.00 C ATOM 809 CD ARG A 62 -10.332 3.440 -4.142 1.00 0.00 C ATOM 810 NE ARG A 62 -9.787 4.791 -4.273 1.00 0.00 N ATOM 811 CZ ARG A 62 -8.959 5.174 -5.246 1.00 0.00 C ATOM 812 NH1 ARG A 62 -8.549 4.307 -6.166 1.00 0.00 N ATOM 813 NH2 ARG A 62 -8.534 6.428 -5.294 1.00 0.00 N ATOM 0 H ARG A 62 -5.444 3.781 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.226 4.321 -1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.851 3.265 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.635 1.796 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.870 1.575 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.937 2.942 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.262 2.927 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.391 3.500 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.057 5.485 -3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.868 3.339 -6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.916 4.610 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.840 7.098 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.901 6.724 -6.037 1.00 0.00 H new ATOM 827 N VAL A 63 -7.955 2.646 0.148 1.00 0.00 N ATOM 828 CA VAL A 63 -7.702 1.811 1.319 1.00 0.00 C ATOM 829 C VAL A 63 -7.799 0.320 0.984 1.00 0.00 C ATOM 830 O VAL A 63 -8.604 -0.402 1.573 1.00 0.00 O ATOM 831 CB VAL A 63 -8.684 2.133 2.461 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.253 3.390 3.200 1.00 0.00 C ATOM 833 CG2 VAL A 63 -10.104 2.274 1.931 1.00 0.00 C ATOM 0 H VAL A 63 -8.816 3.191 0.198 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.686 2.035 1.644 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.670 1.302 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.960 3.600 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.259 3.242 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.231 4.230 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.779 2.501 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.141 3.081 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.410 1.341 1.458 1.00 0.00 H new ATOM 843 N ASN A 64 -6.973 -0.133 0.042 1.00 0.00 N ATOM 844 CA ASN A 64 -6.964 -1.537 -0.375 1.00 0.00 C ATOM 845 C ASN A 64 -5.741 -1.873 -1.236 1.00 0.00 C ATOM 846 O ASN A 64 -5.300 -3.022 -1.274 1.00 0.00 O ATOM 847 CB ASN A 64 -8.233 -1.863 -1.169 1.00 0.00 C ATOM 848 CG ASN A 64 -9.451 -2.034 -0.285 1.00 0.00 C ATOM 849 OD1 ASN A 64 -10.296 -1.012 -0.241 1.00 0.00 O flip ATOM 850 ND2 ASN A 64 -9.631 -3.075 0.349 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.298 0.453 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.922 -2.138 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.421 -1.066 -1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.074 -2.777 -1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.954 -3.835 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.457 -3.177 0.938 1.00 0.00 H new ATOM 857 N ASP A 65 -5.209 -0.875 -1.939 1.00 0.00 N ATOM 858 CA ASP A 65 -4.056 -1.079 -2.812 1.00 0.00 C ATOM 859 C ASP A 65 -2.845 -1.568 -2.029 1.00 0.00 C ATOM 860 O ASP A 65 -2.661 -1.213 -0.865 1.00 0.00 O ATOM 861 CB ASP A 65 -3.716 0.219 -3.550 1.00 0.00 C ATOM 862 CG ASP A 65 -4.017 0.137 -5.033 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.207 0.230 -5.406 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.063 -0.020 -5.825 1.00 0.00 O ATOM 0 H ASP A 65 -5.559 0.083 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.319 -1.848 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.282 1.041 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.660 0.448 -3.409 1.00 0.00 H new ATOM 869 N GLN A 66 -2.019 -2.380 -2.682 1.00 0.00 N ATOM 870 CA GLN A 66 -0.819 -2.921 -2.053 1.00 0.00 C ATOM 871 C GLN A 66 0.420 -2.151 -2.499 1.00 0.00 C ATOM 872 O GLN A 66 0.646 -1.957 -3.693 1.00 0.00 O ATOM 873 CB GLN A 66 -0.665 -4.404 -2.395 1.00 0.00 C ATOM 874 CG GLN A 66 0.004 -5.215 -1.297 1.00 0.00 C ATOM 875 CD GLN A 66 1.508 -5.034 -1.273 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.064 -4.483 -0.324 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.175 -5.498 -2.324 1.00 0.00 N ATOM 0 H GLN A 66 -2.159 -2.678 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.922 -2.814 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.649 -4.826 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.082 -4.498 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.409 -4.923 -0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.229 -6.271 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.672 -5.948 -3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.190 -5.404 -2.366 1.00 0.00 H new ATOM 886 N LEU A 67 1.223 -1.714 -1.534 1.00 0.00 N ATOM 887 CA LEU A 67 2.438 -0.966 -1.834 1.00 0.00 C ATOM 888 C LEU A 67 3.520 -1.888 -2.386 1.00 0.00 C ATOM 889 O LEU A 67 3.653 -3.034 -1.954 1.00 0.00 O ATOM 890 CB LEU A 67 2.945 -0.256 -0.577 1.00 0.00 C ATOM 891 CG LEU A 67 2.068 0.902 -0.092 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.474 1.325 1.311 1.00 0.00 C ATOM 893 CD2 LEU A 67 2.160 2.077 -1.054 1.00 0.00 C ATOM 0 H LEU A 67 1.054 -1.865 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 67 2.201 -0.220 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.032 -0.988 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.948 0.124 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 67 1.032 0.563 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.841 2.149 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.357 0.483 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.515 1.647 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.531 2.891 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.194 2.417 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.821 1.766 -2.042 1.00 0.00 H new ATOM 905 N ILE A 68 4.290 -1.386 -3.348 1.00 0.00 N ATOM 906 CA ILE A 68 5.356 -2.173 -3.961 1.00 0.00 C ATOM 907 C ILE A 68 6.684 -1.418 -3.959 1.00 0.00 C ATOM 908 O ILE A 68 7.737 -2.005 -3.712 1.00 0.00 O ATOM 909 CB ILE A 68 5.006 -2.564 -5.410 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.618 -3.204 -5.468 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.058 -3.511 -5.971 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.203 -3.624 -6.863 1.00 0.00 C ATOM 0 H ILE A 68 4.196 -0.440 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 68 5.458 -3.076 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 68 4.994 -1.662 -6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.601 -4.076 -4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.885 -2.499 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.798 -3.779 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.032 -3.021 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.099 -4.413 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.209 -4.070 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.187 -2.751 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.914 -4.354 -7.250 1.00 0.00 H new ATOM 924 N ALA A 69 6.634 -0.120 -4.242 1.00 0.00 N ATOM 925 CA ALA A 69 7.845 0.695 -4.276 1.00 0.00 C ATOM 926 C ALA A 69 7.547 2.155 -3.950 1.00 0.00 C ATOM 927 O ALA A 69 6.390 2.573 -3.917 1.00 0.00 O ATOM 928 CB ALA A 69 8.512 0.586 -5.638 1.00 0.00 C ATOM 0 H ALA A 69 5.774 0.388 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 69 8.524 0.316 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.414 1.198 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.776 -0.454 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.825 0.935 -6.409 1.00 0.00 H new ATOM 934 N VAL A 70 8.604 2.924 -3.708 1.00 0.00 N ATOM 935 CA VAL A 70 8.464 4.343 -3.385 1.00 0.00 C ATOM 936 C VAL A 70 9.756 5.107 -3.673 1.00 0.00 C ATOM 937 O VAL A 70 10.791 4.853 -3.056 1.00 0.00 O ATOM 938 CB VAL A 70 8.067 4.543 -1.907 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.062 3.852 -0.987 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.950 6.024 -1.569 1.00 0.00 C ATOM 0 H VAL A 70 9.568 2.590 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 70 7.671 4.738 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 70 7.089 4.088 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.765 4.005 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.080 2.784 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.056 4.271 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.669 6.137 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.908 6.514 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.189 6.482 -2.200 1.00 0.00 H new ATOM 950 N ASN A 71 9.685 6.044 -4.615 1.00 0.00 N ATOM 951 CA ASN A 71 10.843 6.849 -4.989 1.00 0.00 C ATOM 952 C ASN A 71 12.017 5.965 -5.396 1.00 0.00 C ATOM 953 O ASN A 71 13.167 6.251 -5.062 1.00 0.00 O ATOM 954 CB ASN A 71 11.254 7.759 -3.829 1.00 0.00 C ATOM 955 CG ASN A 71 10.176 8.761 -3.469 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.564 8.576 -2.306 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 9.894 9.688 -4.227 1.00 0.00 N flip ATOM 0 H ASN A 71 8.835 6.264 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 71 10.563 7.464 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.484 7.148 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.167 8.292 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.390 9.792 -5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.164 10.352 -3.971 1.00 0.00 H new ATOM 964 N GLY A 72 11.721 4.891 -6.117 1.00 0.00 N ATOM 965 CA GLY A 72 12.765 3.982 -6.552 1.00 0.00 C ATOM 966 C GLY A 72 13.027 2.874 -5.550 1.00 0.00 C ATOM 967 O GLY A 72 13.663 1.872 -5.877 1.00 0.00 O ATOM 0 H GLY A 72 10.778 4.633 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.484 3.543 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.685 4.543 -6.717 1.00 0.00 H new ATOM 971 N GLU A 73 12.533 3.047 -4.325 1.00 0.00 N ATOM 972 CA GLU A 73 12.719 2.049 -3.280 1.00 0.00 C ATOM 973 C GLU A 73 11.779 0.870 -3.500 1.00 0.00 C ATOM 974 O GLU A 73 10.608 1.053 -3.833 1.00 0.00 O ATOM 975 CB GLU A 73 12.475 2.669 -1.902 1.00 0.00 C ATOM 976 CG GLU A 73 13.556 2.336 -0.887 1.00 0.00 C ATOM 977 CD GLU A 73 14.889 2.973 -1.224 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.894 3.987 -1.954 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.928 2.461 -0.758 1.00 0.00 O ATOM 0 H GLU A 73 12.002 3.868 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 73 13.747 1.689 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.407 3.752 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.513 2.324 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.237 2.670 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.678 1.254 -0.833 1.00 0.00 H new ATOM 986 N SER A 74 12.299 -0.337 -3.320 1.00 0.00 N ATOM 987 CA SER A 74 11.501 -1.540 -3.509 1.00 0.00 C ATOM 988 C SER A 74 10.991 -2.078 -2.178 1.00 0.00 C ATOM 989 O SER A 74 11.769 -2.510 -1.326 1.00 0.00 O ATOM 990 CB SER A 74 12.322 -2.610 -4.231 1.00 0.00 C ATOM 991 OG SER A 74 13.123 -3.344 -3.321 1.00 0.00 O ATOM 0 H SER A 74 13.266 -0.508 -3.044 1.00 0.00 H new ATOM 0 HA SER A 74 10.637 -1.279 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.654 -3.289 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.958 -2.139 -4.981 1.00 0.00 H new ATOM 0 HG SER A 74 13.077 -2.928 -2.435 1.00 0.00 H new ATOM 997 N LEU A 75 9.675 -2.052 -2.012 1.00 0.00 N ATOM 998 CA LEU A 75 9.037 -2.537 -0.794 1.00 0.00 C ATOM 999 C LEU A 75 8.850 -4.052 -0.846 1.00 0.00 C ATOM 1000 O LEU A 75 8.785 -4.715 0.189 1.00 0.00 O ATOM 1001 CB LEU A 75 7.682 -1.853 -0.613 1.00 0.00 C ATOM 1002 CG LEU A 75 7.739 -0.397 -0.151 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.348 0.213 -0.151 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.367 -0.302 1.229 1.00 0.00 C ATOM 0 H LEU A 75 9.023 -1.697 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 75 9.681 -2.298 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.143 -1.895 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.100 -2.424 0.111 1.00 0.00 H new ATOM 0 HG LEU A 75 8.360 0.165 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.405 1.250 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.935 0.176 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.704 -0.349 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.400 0.741 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.772 -0.876 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.380 -0.703 1.196 1.00 0.00 H new ATOM 1016 N LEU A 76 8.758 -4.592 -2.062 1.00 0.00 N ATOM 1017 CA LEU A 76 8.572 -6.029 -2.260 1.00 0.00 C ATOM 1018 C LEU A 76 9.505 -6.838 -1.363 1.00 0.00 C ATOM 1019 O LEU A 76 9.101 -7.838 -0.772 1.00 0.00 O ATOM 1020 CB LEU A 76 8.811 -6.393 -3.728 1.00 0.00 C ATOM 1021 CG LEU A 76 7.714 -7.245 -4.369 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.601 -6.938 -5.854 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.992 -8.724 -4.148 1.00 0.00 C ATOM 0 H LEU A 76 8.810 -4.053 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 76 7.545 -6.276 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.918 -5.473 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.757 -6.928 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 76 6.764 -6.999 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.816 -7.553 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.356 -5.885 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.550 -7.156 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.202 -9.316 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.951 -8.985 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.023 -8.933 -3.079 1.00 0.00 H new ATOM 1035 N GLY A 77 10.754 -6.394 -1.261 1.00 0.00 N ATOM 1036 CA GLY A 77 11.719 -7.086 -0.430 1.00 0.00 C ATOM 1037 C GLY A 77 11.760 -6.539 0.982 1.00 0.00 C ATOM 1038 O GLY A 77 12.835 -6.319 1.541 1.00 0.00 O ATOM 0 H GLY A 77 11.114 -5.568 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.473 -8.147 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.709 -7.001 -0.879 1.00 0.00 H new ATOM 1042 N LYS A 78 10.584 -6.310 1.558 1.00 0.00 N ATOM 1043 CA LYS A 78 10.484 -5.778 2.911 1.00 0.00 C ATOM 1044 C LYS A 78 9.215 -6.253 3.593 1.00 0.00 C ATOM 1045 O LYS A 78 8.152 -6.327 2.976 1.00 0.00 O ATOM 1046 CB LYS A 78 10.513 -4.251 2.884 1.00 0.00 C ATOM 1047 CG LYS A 78 11.899 -3.681 2.653 1.00 0.00 C ATOM 1048 CD LYS A 78 11.984 -2.220 3.049 1.00 0.00 C ATOM 1049 CE LYS A 78 10.990 -1.376 2.280 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.594 -0.788 1.049 1.00 0.00 N ATOM 0 H LYS A 78 9.686 -6.485 1.107 1.00 0.00 H new ATOM 0 HA LYS A 78 11.339 -6.145 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.846 -3.896 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.124 -3.870 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.627 -4.255 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.165 -3.788 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.796 -2.121 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.993 -1.851 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.130 -1.987 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.621 -0.576 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.899 -0.811 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.872 0.197 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.433 -1.339 0.777 1.00 0.00 H new ATOM 1064 N ALA A 79 9.332 -6.554 4.876 1.00 0.00 N ATOM 1065 CA ALA A 79 8.198 -7.002 5.657 1.00 0.00 C ATOM 1066 C ALA A 79 7.325 -5.813 6.018 1.00 0.00 C ATOM 1067 O ALA A 79 7.519 -4.713 5.504 1.00 0.00 O ATOM 1068 CB ALA A 79 8.674 -7.725 6.908 1.00 0.00 C ATOM 0 H ALA A 79 10.206 -6.495 5.398 1.00 0.00 H new ATOM 0 HA ALA A 79 7.607 -7.702 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.812 -8.057 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.274 -8.589 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.278 -7.048 7.512 1.00 0.00 H new ATOM 1074 N ASN A 80 6.366 -6.030 6.904 1.00 0.00 N ATOM 1075 CA ASN A 80 5.476 -4.958 7.320 1.00 0.00 C ATOM 1076 C ASN A 80 6.267 -3.787 7.900 1.00 0.00 C ATOM 1077 O ASN A 80 6.090 -2.644 7.484 1.00 0.00 O ATOM 1078 CB ASN A 80 4.470 -5.474 8.354 1.00 0.00 C ATOM 1079 CG ASN A 80 5.126 -6.304 9.439 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.583 -5.775 10.452 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.174 -7.614 9.233 1.00 0.00 N ATOM 0 H ASN A 80 6.185 -6.931 7.346 1.00 0.00 H new ATOM 0 HA ASN A 80 4.935 -4.607 6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.956 -4.628 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.712 -6.074 7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.602 -8.224 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.783 -8.011 8.379 1.00 0.00 H new ATOM 1088 N GLN A 81 7.132 -4.083 8.866 1.00 0.00 N ATOM 1089 CA GLN A 81 7.942 -3.058 9.523 1.00 0.00 C ATOM 1090 C GLN A 81 8.983 -2.436 8.589 1.00 0.00 C ATOM 1091 O GLN A 81 9.227 -1.229 8.647 1.00 0.00 O ATOM 1092 CB GLN A 81 8.641 -3.647 10.750 1.00 0.00 C ATOM 1093 CG GLN A 81 9.310 -4.987 10.488 1.00 0.00 C ATOM 1094 CD GLN A 81 10.741 -5.032 10.985 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.038 -5.656 12.005 1.00 0.00 O ATOM 1096 NE2 GLN A 81 11.639 -4.368 10.266 1.00 0.00 N ATOM 0 H GLN A 81 7.291 -5.029 9.213 1.00 0.00 H new ATOM 0 HA GLN A 81 7.260 -2.263 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.391 -2.940 11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.911 -3.766 11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.736 -5.776 10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.294 -5.193 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.350 -3.864 9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.618 -4.362 10.552 1.00 0.00 H new ATOM 1105 N GLU A 82 9.605 -3.249 7.738 1.00 0.00 N ATOM 1106 CA GLU A 82 10.621 -2.745 6.825 1.00 0.00 C ATOM 1107 C GLU A 82 10.003 -1.829 5.778 1.00 0.00 C ATOM 1108 O GLU A 82 10.532 -0.756 5.489 1.00 0.00 O ATOM 1109 CB GLU A 82 11.349 -3.907 6.148 1.00 0.00 C ATOM 1110 CG GLU A 82 12.097 -4.805 7.120 1.00 0.00 C ATOM 1111 CD GLU A 82 13.043 -5.761 6.420 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.099 -5.304 5.935 1.00 0.00 O ATOM 1113 OE2 GLU A 82 12.726 -6.968 6.358 1.00 0.00 O ATOM 0 H GLU A 82 9.424 -4.250 7.664 1.00 0.00 H new ATOM 0 HA GLU A 82 11.342 -2.166 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.625 -4.506 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.054 -3.508 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.661 -4.187 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.378 -5.376 7.708 1.00 0.00 H new ATOM 1120 N ALA A 83 8.876 -2.252 5.222 1.00 0.00 N ATOM 1121 CA ALA A 83 8.185 -1.459 4.220 1.00 0.00 C ATOM 1122 C ALA A 83 7.585 -0.221 4.860 1.00 0.00 C ATOM 1123 O ALA A 83 7.512 0.844 4.243 1.00 0.00 O ATOM 1124 CB ALA A 83 7.115 -2.283 3.529 1.00 0.00 C ATOM 0 H ALA A 83 8.423 -3.138 5.448 1.00 0.00 H new ATOM 0 HA ALA A 83 8.905 -1.144 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.610 -1.670 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.576 -3.142 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.390 -2.629 4.266 1.00 0.00 H new ATOM 1130 N MET A 84 7.166 -0.366 6.110 1.00 0.00 N ATOM 1131 CA MET A 84 6.582 0.745 6.846 1.00 0.00 C ATOM 1132 C MET A 84 7.643 1.798 7.135 1.00 0.00 C ATOM 1133 O MET A 84 7.342 2.987 7.244 1.00 0.00 O ATOM 1134 CB MET A 84 5.942 0.273 8.146 1.00 0.00 C ATOM 1135 CG MET A 84 4.425 0.307 8.093 1.00 0.00 C ATOM 1136 SD MET A 84 3.666 -0.440 9.540 1.00 0.00 S ATOM 1137 CE MET A 84 4.255 -2.115 9.353 1.00 0.00 C ATOM 0 H MET A 84 7.220 -1.240 6.634 1.00 0.00 H new ATOM 0 HA MET A 84 5.800 1.185 6.227 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.272 -0.743 8.362 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.288 0.902 8.967 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.091 1.341 8.005 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.085 -0.215 7.199 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.715 -2.769 10.038 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.089 -2.447 8.328 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.321 -2.153 9.579 1.00 0.00 H new ATOM 1147 N GLU A 85 8.888 1.349 7.246 1.00 0.00 N ATOM 1148 CA GLU A 85 10.001 2.250 7.507 1.00 0.00 C ATOM 1149 C GLU A 85 10.352 3.009 6.250 1.00 0.00 C ATOM 1150 O GLU A 85 10.659 4.190 6.303 1.00 0.00 O ATOM 1151 CB GLU A 85 11.228 1.473 7.985 1.00 0.00 C ATOM 1152 CG GLU A 85 11.302 1.306 9.488 1.00 0.00 C ATOM 1153 CD GLU A 85 11.147 2.616 10.237 1.00 0.00 C ATOM 1154 OE1 GLU A 85 9.996 2.997 10.534 1.00 0.00 O ATOM 1155 OE2 GLU A 85 12.178 3.261 10.525 1.00 0.00 O ATOM 0 H GLU A 85 9.150 0.367 7.159 1.00 0.00 H new ATOM 0 HA GLU A 85 9.699 2.948 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.226 0.487 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.127 1.985 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.523 0.615 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.258 0.854 9.751 1.00 0.00 H new ATOM 1162 N THR A 86 10.299 2.316 5.121 1.00 0.00 N ATOM 1163 CA THR A 86 10.602 2.928 3.839 1.00 0.00 C ATOM 1164 C THR A 86 9.622 4.065 3.572 1.00 0.00 C ATOM 1165 O THR A 86 10.006 5.135 3.102 1.00 0.00 O ATOM 1166 CB THR A 86 10.540 1.878 2.726 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.807 1.272 2.546 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.105 2.427 1.385 1.00 0.00 C ATOM 0 H THR A 86 10.049 1.329 5.069 1.00 0.00 H new ATOM 0 HA THR A 86 11.612 3.337 3.861 1.00 0.00 H new ATOM 0 HB THR A 86 9.790 1.160 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.320 1.777 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.087 1.622 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.108 2.859 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.806 3.196 1.062 1.00 0.00 H new ATOM 1176 N LEU A 87 8.359 3.827 3.906 1.00 0.00 N ATOM 1177 CA LEU A 87 7.329 4.835 3.733 1.00 0.00 C ATOM 1178 C LEU A 87 7.593 5.968 4.706 1.00 0.00 C ATOM 1179 O LEU A 87 7.730 7.123 4.314 1.00 0.00 O ATOM 1180 CB LEU A 87 5.941 4.238 3.977 1.00 0.00 C ATOM 1181 CG LEU A 87 5.547 3.110 3.024 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.272 2.433 3.498 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.376 3.644 1.609 1.00 0.00 C ATOM 0 H LEU A 87 8.027 2.945 4.297 1.00 0.00 H new ATOM 0 HA LEU A 87 7.355 5.210 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.898 3.862 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.201 5.034 3.899 1.00 0.00 H new ATOM 0 HG LEU A 87 6.346 2.369 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.007 1.633 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.429 2.017 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.464 3.164 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.096 2.828 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.595 4.405 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.314 4.083 1.270 1.00 0.00 H new ATOM 1195 N ARG A 88 7.708 5.614 5.982 1.00 0.00 N ATOM 1196 CA ARG A 88 8.002 6.585 7.021 1.00 0.00 C ATOM 1197 C ARG A 88 9.310 7.297 6.697 1.00 0.00 C ATOM 1198 O ARG A 88 9.504 8.465 7.036 1.00 0.00 O ATOM 1199 CB ARG A 88 8.102 5.896 8.382 1.00 0.00 C ATOM 1200 CG ARG A 88 6.761 5.435 8.930 1.00 0.00 C ATOM 1201 CD ARG A 88 6.899 4.849 10.325 1.00 0.00 C ATOM 1202 NE ARG A 88 5.690 5.046 11.124 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.404 4.348 12.220 1.00 0.00 C ATOM 1204 NH1 ARG A 88 6.235 3.407 12.652 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.283 4.591 12.885 1.00 0.00 N ATOM 0 H ARG A 88 7.601 4.657 6.319 1.00 0.00 H new ATOM 0 HA ARG A 88 7.194 7.316 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.765 5.035 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.560 6.582 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.069 6.277 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.331 4.689 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.115 3.783 10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.747 5.311 10.830 1.00 0.00 H new ATOM 0 HE ARG A 88 5.027 5.761 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.098 3.216 12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.010 2.875 13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.641 5.312 12.556 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.062 4.057 13.725 1.00 0.00 H new ATOM 1219 N ARG A 89 10.195 6.574 6.020 1.00 0.00 N ATOM 1220 CA ARG A 89 11.487 7.107 5.620 1.00 0.00 C ATOM 1221 C ARG A 89 11.316 8.101 4.485 1.00 0.00 C ATOM 1222 O ARG A 89 11.985 9.133 4.439 1.00 0.00 O ATOM 1223 CB ARG A 89 12.424 5.974 5.193 1.00 0.00 C ATOM 1224 CG ARG A 89 13.542 5.716 6.183 1.00 0.00 C ATOM 1225 CD ARG A 89 14.520 4.673 5.667 1.00 0.00 C ATOM 1226 NE ARG A 89 14.664 3.552 6.593 1.00 0.00 N ATOM 1227 CZ ARG A 89 15.608 2.621 6.488 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.495 2.672 5.501 1.00 0.00 N ATOM 1229 NH2 ARG A 89 15.667 1.635 7.373 1.00 0.00 N ATOM 0 H ARG A 89 10.036 5.607 5.735 1.00 0.00 H new ATOM 0 HA ARG A 89 11.929 7.621 6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.843 5.060 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.856 6.216 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.074 6.646 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.119 5.381 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.179 4.303 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.493 5.137 5.505 1.00 0.00 H new ATOM 0 HE ARG A 89 14.002 3.479 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.455 3.428 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.216 1.955 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.989 1.591 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.391 0.921 7.293 1.00 0.00 H new ATOM 1243 N SER A 90 10.408 7.782 3.571 1.00 0.00 N ATOM 1244 CA SER A 90 10.143 8.649 2.437 1.00 0.00 C ATOM 1245 C SER A 90 9.414 9.905 2.893 1.00 0.00 C ATOM 1246 O SER A 90 9.763 11.018 2.497 1.00 0.00 O ATOM 1247 CB SER A 90 9.320 7.913 1.378 1.00 0.00 C ATOM 1248 OG SER A 90 9.909 6.666 1.045 1.00 0.00 O ATOM 0 H SER A 90 9.846 6.931 3.595 1.00 0.00 H new ATOM 0 HA SER A 90 11.096 8.938 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.307 7.753 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.239 8.530 0.483 1.00 0.00 H new ATOM 0 HG SER A 90 9.610 5.983 1.680 1.00 0.00 H new ATOM 1254 N MET A 91 8.412 9.719 3.743 1.00 0.00 N ATOM 1255 CA MET A 91 7.642 10.833 4.278 1.00 0.00 C ATOM 1256 C MET A 91 8.468 11.608 5.302 1.00 0.00 C ATOM 1257 O MET A 91 8.137 12.740 5.655 1.00 0.00 O ATOM 1258 CB MET A 91 6.358 10.327 4.942 1.00 0.00 C ATOM 1259 CG MET A 91 5.551 9.364 4.087 1.00 0.00 C ATOM 1260 SD MET A 91 5.217 9.998 2.433 1.00 0.00 S ATOM 1261 CE MET A 91 4.705 8.496 1.605 1.00 0.00 C ATOM 0 H MET A 91 8.113 8.803 4.077 1.00 0.00 H new ATOM 0 HA MET A 91 7.382 11.493 3.451 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.617 9.834 5.879 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.732 11.183 5.195 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.090 8.420 4.006 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.606 9.150 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.377 8.732 0.593 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.543 7.800 1.562 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.882 8.039 2.155 1.00 0.00 H new ATOM 1271 N SER A 92 9.534 10.977 5.789 1.00 0.00 N ATOM 1272 CA SER A 92 10.399 11.590 6.791 1.00 0.00 C ATOM 1273 C SER A 92 11.322 12.647 6.193 1.00 0.00 C ATOM 1274 O SER A 92 11.388 13.772 6.688 1.00 0.00 O ATOM 1275 CB SER A 92 11.233 10.517 7.494 1.00 0.00 C ATOM 1276 OG SER A 92 10.571 10.034 8.651 1.00 0.00 O ATOM 0 H SER A 92 9.819 10.040 5.505 1.00 0.00 H new ATOM 0 HA SER A 92 9.751 12.089 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.422 9.691 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.203 10.930 7.772 1.00 0.00 H new ATOM 0 HG SER A 92 9.923 9.346 8.394 1.00 0.00 H new ATOM 1282 N THR A 93 12.054 12.281 5.145 1.00 0.00 N ATOM 1283 CA THR A 93 12.988 13.212 4.516 1.00 0.00 C ATOM 1284 C THR A 93 13.663 12.601 3.289 1.00 0.00 C ATOM 1285 O THR A 93 14.891 12.561 3.202 1.00 0.00 O ATOM 1286 CB THR A 93 14.058 13.618 5.526 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.941 14.575 4.970 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.886 12.442 5.998 1.00 0.00 C ATOM 0 H THR A 93 12.020 11.356 4.716 1.00 0.00 H new ATOM 0 HA THR A 93 12.419 14.083 4.190 1.00 0.00 H new ATOM 0 HB THR A 93 13.520 14.038 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.416 14.179 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.632 12.786 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.237 11.708 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.387 11.984 5.145 1.00 0.00 H new ATOM 1296 N GLU A 94 12.862 12.138 2.341 1.00 0.00 N ATOM 1297 CA GLU A 94 13.386 11.541 1.118 1.00 0.00 C ATOM 1298 C GLU A 94 12.334 11.615 0.031 1.00 0.00 C ATOM 1299 O GLU A 94 12.553 12.199 -1.029 1.00 0.00 O ATOM 1300 CB GLU A 94 13.789 10.082 1.350 1.00 0.00 C ATOM 1301 CG GLU A 94 14.867 9.900 2.405 1.00 0.00 C ATOM 1302 CD GLU A 94 16.194 10.507 1.997 1.00 0.00 C ATOM 1303 OE1 GLU A 94 16.547 10.414 0.802 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.880 11.076 2.871 1.00 0.00 O ATOM 0 H GLU A 94 11.844 12.164 2.394 1.00 0.00 H new ATOM 0 HA GLU A 94 14.273 12.096 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.906 9.514 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.140 9.659 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.536 10.355 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.003 8.836 2.599 1.00 0.00 H new ATOM 1311 N GLY A 95 11.176 11.042 0.324 1.00 0.00 N ATOM 1312 CA GLY A 95 10.083 11.077 -0.618 1.00 0.00 C ATOM 1313 C GLY A 95 9.649 12.501 -0.874 1.00 0.00 C ATOM 1314 O GLY A 95 9.205 12.840 -1.969 1.00 0.00 O ATOM 0 H GLY A 95 10.976 10.554 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.387 10.610 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.244 10.499 -0.231 1.00 0.00 H new ATOM 1318 N ASN A 96 9.807 13.342 0.144 1.00 0.00 N ATOM 1319 CA ASN A 96 9.457 14.748 0.039 1.00 0.00 C ATOM 1320 C ASN A 96 10.617 15.518 -0.598 1.00 0.00 C ATOM 1321 O ASN A 96 10.832 15.424 -1.804 1.00 0.00 O ATOM 1322 CB ASN A 96 9.106 15.312 1.424 1.00 0.00 C ATOM 1323 CG ASN A 96 8.836 16.807 1.409 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.273 17.303 0.312 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.129 17.509 2.376 1.00 0.00 N flip ATOM 0 H ASN A 96 10.177 13.069 1.054 1.00 0.00 H new ATOM 0 HA ASN A 96 8.579 14.859 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.227 14.794 1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.925 15.104 2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.560 17.089 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.941 18.511 2.354 1.00 0.00 H new ATOM 1332 N LYS A 97 11.378 16.256 0.211 1.00 0.00 N ATOM 1333 CA LYS A 97 12.526 17.015 -0.284 1.00 0.00 C ATOM 1334 C LYS A 97 12.223 17.739 -1.601 1.00 0.00 C ATOM 1335 O LYS A 97 13.135 18.052 -2.365 1.00 0.00 O ATOM 1336 CB LYS A 97 13.723 16.075 -0.468 1.00 0.00 C ATOM 1337 CG LYS A 97 13.904 15.083 0.672 1.00 0.00 C ATOM 1338 CD LYS A 97 13.911 15.780 2.025 1.00 0.00 C ATOM 1339 CE LYS A 97 15.162 16.623 2.210 1.00 0.00 C ATOM 1340 NZ LYS A 97 16.368 15.783 2.449 1.00 0.00 N ATOM 0 H LYS A 97 11.219 16.344 1.215 1.00 0.00 H new ATOM 0 HA LYS A 97 12.760 17.779 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.601 15.524 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.630 16.671 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.101 14.347 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.839 14.539 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.028 16.413 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.851 15.036 2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.319 17.239 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.021 17.303 3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.799 16.046 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.093 14.780 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.055 15.936 1.683 1.00 0.00 H new ATOM 1354 N ARG A 98 10.943 18.005 -1.865 1.00 0.00 N ATOM 1355 CA ARG A 98 10.546 18.690 -3.085 1.00 0.00 C ATOM 1356 C ARG A 98 9.091 19.150 -3.017 1.00 0.00 C ATOM 1357 O ARG A 98 8.732 20.190 -3.571 1.00 0.00 O ATOM 1358 CB ARG A 98 10.758 17.772 -4.288 1.00 0.00 C ATOM 1359 CG ARG A 98 9.820 16.576 -4.325 1.00 0.00 C ATOM 1360 CD ARG A 98 10.584 15.266 -4.441 1.00 0.00 C ATOM 1361 NE ARG A 98 10.826 14.893 -5.834 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.238 13.687 -6.217 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.457 12.735 -5.318 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.434 13.432 -7.502 1.00 0.00 N ATOM 0 H ARG A 98 10.169 17.755 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 98 11.169 19.578 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.628 18.352 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.787 17.414 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.211 16.563 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.137 16.675 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.537 15.355 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.022 14.474 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 98 10.670 15.598 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.310 12.926 -4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.773 11.813 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.269 14.160 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.750 12.508 -7.796 1.00 0.00 H new ATOM 1378 N GLY A 99 8.259 18.370 -2.338 1.00 0.00 N ATOM 1379 CA GLY A 99 6.854 18.706 -2.211 1.00 0.00 C ATOM 1380 C GLY A 99 5.949 17.604 -2.730 1.00 0.00 C ATOM 1381 O GLY A 99 4.768 17.833 -2.985 1.00 0.00 O ATOM 0 H GLY A 99 8.534 17.506 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.622 18.900 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.652 19.627 -2.758 1.00 0.00 H new ATOM 1385 N MET A 100 6.511 16.408 -2.893 1.00 0.00 N ATOM 1386 CA MET A 100 5.762 15.266 -3.390 1.00 0.00 C ATOM 1387 C MET A 100 6.632 14.012 -3.434 1.00 0.00 C ATOM 1388 O MET A 100 7.859 14.100 -3.467 1.00 0.00 O ATOM 1389 CB MET A 100 5.224 15.576 -4.785 1.00 0.00 C ATOM 1390 CG MET A 100 6.273 15.494 -5.881 1.00 0.00 C ATOM 1391 SD MET A 100 5.793 14.388 -7.222 1.00 0.00 S ATOM 1392 CE MET A 100 5.430 12.895 -6.304 1.00 0.00 C ATOM 0 H MET A 100 7.490 16.209 -2.685 1.00 0.00 H new ATOM 0 HA MET A 100 4.932 15.076 -2.710 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.417 14.881 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.792 16.577 -4.783 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.450 16.491 -6.284 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.215 15.151 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.308 12.062 -6.997 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.251 12.680 -5.620 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.510 13.032 -5.736 1.00 0.00 H new ATOM 1402 N ILE A 101 5.990 12.847 -3.446 1.00 0.00 N ATOM 1403 CA ILE A 101 6.708 11.576 -3.499 1.00 0.00 C ATOM 1404 C ILE A 101 5.957 10.566 -4.367 1.00 0.00 C ATOM 1405 O ILE A 101 4.730 10.590 -4.443 1.00 0.00 O ATOM 1406 CB ILE A 101 6.958 10.996 -2.077 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.400 9.578 -1.927 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.366 11.904 -1.008 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.710 8.954 -0.583 1.00 0.00 C ATOM 0 H ILE A 101 4.974 12.756 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 101 7.681 11.769 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 101 8.038 10.945 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.319 9.603 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.810 8.948 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.554 11.477 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.828 12.889 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.291 11.997 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.287 7.950 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.790 8.898 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.276 9.564 0.210 1.00 0.00 H new ATOM 1421 N GLN A 102 6.703 9.683 -5.024 1.00 0.00 N ATOM 1422 CA GLN A 102 6.107 8.673 -5.891 1.00 0.00 C ATOM 1423 C GLN A 102 6.075 7.315 -5.199 1.00 0.00 C ATOM 1424 O GLN A 102 7.003 6.955 -4.475 1.00 0.00 O ATOM 1425 CB GLN A 102 6.891 8.571 -7.201 1.00 0.00 C ATOM 1426 CG GLN A 102 6.323 7.551 -8.174 1.00 0.00 C ATOM 1427 CD GLN A 102 7.247 7.284 -9.346 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.009 7.753 -10.458 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.312 6.529 -9.101 1.00 0.00 N ATOM 0 H GLN A 102 7.721 9.647 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 102 5.083 8.975 -6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.907 9.549 -7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.925 8.309 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.134 6.617 -7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.363 7.906 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.471 6.160 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.971 6.318 -9.851 1.00 0.00 H new ATOM 1438 N LEU A 103 5.002 6.564 -5.425 1.00 0.00 N ATOM 1439 CA LEU A 103 4.853 5.249 -4.821 1.00 0.00 C ATOM 1440 C LEU A 103 4.149 4.281 -5.766 1.00 0.00 C ATOM 1441 O LEU A 103 3.099 4.597 -6.325 1.00 0.00 O ATOM 1442 CB LEU A 103 4.071 5.349 -3.511 1.00 0.00 C ATOM 1443 CG LEU A 103 4.638 6.337 -2.490 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.885 7.657 -2.548 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.578 5.750 -1.087 1.00 0.00 C ATOM 0 H LEU A 103 4.224 6.845 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 103 5.852 4.865 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.045 5.636 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.031 4.361 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 103 5.682 6.526 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.303 8.347 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.980 8.087 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.832 7.485 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.986 6.467 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.542 5.531 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.163 4.831 -1.052 1.00 0.00 H new ATOM 1457 N ILE A 104 4.733 3.098 -5.928 1.00 0.00 N ATOM 1458 CA ILE A 104 4.158 2.077 -6.791 1.00 0.00 C ATOM 1459 C ILE A 104 3.303 1.116 -5.982 1.00 0.00 C ATOM 1460 O ILE A 104 3.633 0.778 -4.844 1.00 0.00 O ATOM 1461 CB ILE A 104 5.241 1.279 -7.537 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.146 2.223 -8.324 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.608 0.252 -8.466 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.395 3.169 -9.235 1.00 0.00 C ATOM 0 H ILE A 104 5.604 2.825 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 104 3.542 2.594 -7.527 1.00 0.00 H new ATOM 0 HB ILE A 104 5.846 0.748 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.744 2.806 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.840 1.632 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.391 -0.302 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.000 -0.440 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.979 0.761 -9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.105 3.808 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.818 2.595 -9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.721 3.787 -8.642 1.00 0.00 H new ATOM 1476 N VAL A 105 2.200 0.686 -6.573 1.00 0.00 N ATOM 1477 CA VAL A 105 1.288 -0.234 -5.904 1.00 0.00 C ATOM 1478 C VAL A 105 0.731 -1.274 -6.867 1.00 0.00 C ATOM 1479 O VAL A 105 0.798 -1.112 -8.085 1.00 0.00 O ATOM 1480 CB VAL A 105 0.115 0.518 -5.247 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.621 1.463 -4.168 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.688 1.276 -6.295 1.00 0.00 C ATOM 0 H VAL A 105 1.913 0.957 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 105 1.870 -0.740 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.542 -0.214 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.223 1.985 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.147 0.893 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.302 2.190 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.512 1.801 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.043 1.997 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.085 0.573 -7.028 1.00 0.00 H new ATOM 1492 N ALA A 106 0.174 -2.344 -6.306 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.406 -3.415 -7.102 1.00 0.00 C ATOM 1494 C ALA A 106 -1.909 -3.501 -6.879 1.00 0.00 C ATOM 1495 O ALA A 106 -2.396 -3.289 -5.766 1.00 0.00 O ATOM 1496 CB ALA A 106 0.257 -4.743 -6.762 1.00 0.00 C ATOM 0 H ALA A 106 0.113 -2.490 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.230 -3.194 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.186 -5.536 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.325 -4.681 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.108 -4.964 -5.705 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.641 -3.809 -7.945 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.092 -3.919 -7.873 1.00 0.00 C ATOM 1504 C ARG A 107 -4.596 -5.051 -8.764 1.00 0.00 C ATOM 1505 O ARG A 107 -4.120 -5.230 -9.886 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.742 -2.599 -8.287 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.238 -2.550 -8.029 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.899 -1.432 -8.815 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.798 -0.146 -8.128 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.215 1.007 -8.647 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.762 1.039 -9.857 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.083 2.131 -7.957 1.00 0.00 N ATOM 0 H ARG A 107 -2.251 -3.987 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.366 -4.144 -6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.262 -1.782 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.559 -2.431 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.687 -3.504 -8.303 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.421 -2.406 -6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.434 -1.356 -9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.949 -1.675 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.384 -0.131 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.864 0.177 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.080 1.925 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.662 2.113 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.403 3.014 -8.355 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.560 -5.812 -8.257 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.128 -6.928 -9.006 1.00 0.00 C ATOM 1528 C ARG A 108 -6.730 -6.454 -10.326 1.00 0.00 C ATOM 1529 O ARG A 108 -6.927 -5.259 -10.540 1.00 0.00 O ATOM 1530 CB ARG A 108 -7.196 -7.636 -8.171 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.627 -8.469 -7.034 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.635 -9.951 -7.368 1.00 0.00 C ATOM 1533 NE ARG A 108 -7.971 -10.427 -7.718 1.00 0.00 N ATOM 1534 CZ ARG A 108 -8.958 -10.581 -6.839 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -8.764 -10.297 -5.557 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -10.142 -11.019 -7.243 1.00 0.00 N ATOM 0 H ARG A 108 -5.965 -5.677 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.323 -7.629 -9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.876 -6.891 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.786 -8.281 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.607 -8.149 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.209 -8.296 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.954 -10.139 -8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.261 -10.517 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.158 -10.655 -8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.855 -9.959 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.524 -10.417 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.296 -11.238 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.899 -11.137 -6.570 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.018 -7.406 -11.209 1.00 0.00 N ATOM 1551 CA ILE A 109 -7.598 -7.098 -12.512 1.00 0.00 C ATOM 1552 C ILE A 109 -8.968 -7.751 -12.669 1.00 0.00 C ATOM 1553 O ILE A 109 -9.316 -8.669 -11.928 1.00 0.00 O ATOM 1554 CB ILE A 109 -6.681 -7.572 -13.655 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -5.241 -7.110 -13.411 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -7.193 -7.065 -14.997 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -5.017 -5.637 -13.677 1.00 0.00 C ATOM 0 H ILE A 109 -6.858 -8.400 -11.045 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.707 -6.015 -12.567 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.691 -8.662 -13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.970 -7.328 -12.378 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.571 -7.690 -14.046 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -6.532 -7.410 -15.792 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.199 -7.446 -15.170 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.214 -5.975 -14.990 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -3.974 -5.387 -13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -5.255 -5.415 -14.717 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.660 -5.047 -13.024 1.00 0.00 H new ATOM 1569 N SER A 110 -9.741 -7.270 -13.640 1.00 0.00 N ATOM 1570 CA SER A 110 -11.076 -7.805 -13.901 1.00 0.00 C ATOM 1571 C SER A 110 -12.076 -7.312 -12.862 1.00 0.00 C ATOM 1572 O SER A 110 -11.697 -6.730 -11.847 1.00 0.00 O ATOM 1573 CB SER A 110 -11.053 -9.336 -13.918 1.00 0.00 C ATOM 1574 OG SER A 110 -12.047 -9.852 -14.787 1.00 0.00 O ATOM 0 H SER A 110 -9.465 -6.509 -14.261 1.00 0.00 H new ATOM 0 HA SER A 110 -11.390 -7.447 -14.881 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.071 -9.684 -14.237 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.214 -9.716 -12.909 1.00 0.00 H new ATOM 0 HG SER A 110 -12.010 -10.831 -14.781 1.00 0.00 H new TER 1580 SER A 110