USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot -93:sc= -1.71! USER MOD Set 1.2: A 80 ASN : amide:sc= 1.02 K(o=-0.69,f=-2.8) USER MOD Single : A 22 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-2.4!) USER MOD Single : A 25 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.047) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 1.26 (180deg=1.18) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0512 (180deg=-0.326) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0077) USER MOD Single : A 48 ASN : amide:sc= -0.572! C(o=-0.57!,f=-2.6!) USER MOD Single : A 59 SER OG : rot -90:sc= -3.24! USER MOD Single : A 62 GLN : amide:sc= -5.56! K(o=-5.6!,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -1.64! (180deg=-1.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.52) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.36) USER MOD Single : A 88 THR OG1 : rot 8:sc= -0.138 USER MOD Single : A 93 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 96 SER OG : rot -95:sc= 0.715 USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.065 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.882 -11.619 -2.115 1.00 0.00 N ATOM 2 CA GLY A 15 3.831 -11.708 -3.218 1.00 0.00 C ATOM 3 C GLY A 15 5.066 -10.912 -2.950 1.00 0.00 C ATOM 4 O GLY A 15 5.836 -10.627 -3.864 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.099 -12.751 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.359 -11.351 -4.134 1.00 0.00 H new ATOM 8 N LEU A 16 5.281 -10.540 -1.699 1.00 0.00 N ATOM 9 CA LEU A 16 6.411 -9.753 -1.338 1.00 0.00 C ATOM 10 C LEU A 16 6.735 -9.862 0.119 1.00 0.00 C ATOM 11 O LEU A 16 5.984 -10.449 0.895 1.00 0.00 O ATOM 12 CB LEU A 16 6.321 -8.276 -1.799 1.00 0.00 C ATOM 13 CG LEU A 16 5.000 -7.506 -1.675 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.402 -7.591 -0.300 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.260 -6.066 -1.989 1.00 0.00 C ATOM 0 H LEU A 16 4.670 -10.783 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 16 7.245 -10.183 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.074 -7.718 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.614 -8.247 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 16 4.291 -7.955 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.469 -7.027 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.203 -8.634 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.099 -7.173 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.331 -5.502 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.991 -5.667 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.648 -5.979 -3.004 1.00 0.00 H new ATOM 27 N ARG A 17 7.823 -9.268 0.480 1.00 0.00 N ATOM 28 CA ARG A 17 8.345 -9.331 1.812 1.00 0.00 C ATOM 29 C ARG A 17 7.831 -8.199 2.647 1.00 0.00 C ATOM 30 O ARG A 17 7.792 -8.303 3.875 1.00 0.00 O ATOM 31 CB ARG A 17 9.845 -9.344 1.746 1.00 0.00 C ATOM 32 CG ARG A 17 10.369 -10.612 1.141 1.00 0.00 C ATOM 33 CD ARG A 17 10.244 -11.768 2.114 1.00 0.00 C ATOM 34 NE ARG A 17 10.892 -12.978 1.622 1.00 0.00 N ATOM 35 CZ ARG A 17 10.288 -14.154 1.436 1.00 0.00 C ATOM 36 NH1 ARG A 17 8.987 -14.297 1.715 1.00 0.00 N ATOM 37 NH2 ARG A 17 10.987 -15.181 0.966 1.00 0.00 N ATOM 0 H ARG A 17 8.392 -8.710 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 17 8.007 -10.248 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.190 -8.493 1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.253 -9.225 2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.818 -10.839 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.414 -10.480 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.685 -11.485 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.189 -11.973 2.298 1.00 0.00 H new ATOM 0 HE ARG A 17 11.886 -12.921 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.452 -13.505 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.531 -15.198 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.977 -15.068 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.533 -16.083 0.821 1.00 0.00 H new ATOM 51 N GLU A 18 7.455 -7.101 1.996 1.00 0.00 N ATOM 52 CA GLU A 18 6.797 -5.996 2.735 1.00 0.00 C ATOM 53 C GLU A 18 6.069 -4.978 1.895 1.00 0.00 C ATOM 54 O GLU A 18 6.522 -4.636 0.787 1.00 0.00 O ATOM 55 CB GLU A 18 7.709 -5.217 3.713 1.00 0.00 C ATOM 56 CG GLU A 18 9.127 -4.882 3.279 1.00 0.00 C ATOM 57 CD GLU A 18 10.140 -5.813 3.896 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.359 -5.714 5.123 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.757 -6.628 3.199 1.00 0.00 O ATOM 0 H GLU A 18 7.582 -6.942 0.996 1.00 0.00 H new ATOM 0 HA GLU A 18 6.065 -6.574 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.208 -4.280 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.773 -5.794 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.197 -4.938 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.359 -3.855 3.560 1.00 0.00 H new ATOM 66 N ILE A 19 4.905 -4.519 2.432 1.00 0.00 N ATOM 67 CA ILE A 19 4.257 -3.321 1.966 1.00 0.00 C ATOM 68 C ILE A 19 4.165 -2.365 3.119 1.00 0.00 C ATOM 69 O ILE A 19 3.482 -2.601 4.120 1.00 0.00 O ATOM 70 CB ILE A 19 2.857 -3.537 1.313 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.001 -3.991 -0.125 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.955 -2.283 1.393 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.613 -2.943 -1.030 1.00 0.00 C ATOM 0 H ILE A 19 4.414 -4.986 3.195 1.00 0.00 H new ATOM 0 HA ILE A 19 4.868 -2.920 1.157 1.00 0.00 H new ATOM 0 HB ILE A 19 2.364 -4.319 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.617 -4.890 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.019 -4.265 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.995 -2.495 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.796 -2.015 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.438 -1.454 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.686 -3.336 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.986 -2.052 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.608 -2.686 -0.668 1.00 0.00 H new ATOM 85 N ARG A 20 4.904 -1.354 3.008 1.00 0.00 N ATOM 86 CA ARG A 20 4.909 -0.313 3.960 1.00 0.00 C ATOM 87 C ARG A 20 4.280 0.891 3.350 1.00 0.00 C ATOM 88 O ARG A 20 4.865 1.549 2.502 1.00 0.00 O ATOM 89 CB ARG A 20 6.323 -0.005 4.455 1.00 0.00 C ATOM 90 CG ARG A 20 6.863 -1.025 5.434 1.00 0.00 C ATOM 91 CD ARG A 20 8.289 -0.712 5.868 1.00 0.00 C ATOM 92 NE ARG A 20 8.644 -1.468 7.071 1.00 0.00 N ATOM 93 CZ ARG A 20 9.319 -2.624 7.111 1.00 0.00 C ATOM 94 NH1 ARG A 20 9.859 -3.133 6.012 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.490 -3.236 8.273 1.00 0.00 N ATOM 0 H ARG A 20 5.549 -1.210 2.231 1.00 0.00 H new ATOM 0 HA ARG A 20 4.337 -0.625 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.994 0.052 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.326 0.977 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.218 -1.060 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.833 -2.014 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.981 -0.956 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.389 0.356 6.061 1.00 0.00 H new ATOM 0 HE ARG A 20 8.348 -1.076 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.763 -2.643 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.371 -4.014 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.109 -2.826 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.002 -4.117 8.315 1.00 0.00 H new ATOM 109 N ILE A 21 3.086 1.165 3.731 1.00 0.00 N ATOM 110 CA ILE A 21 2.413 2.301 3.206 1.00 0.00 C ATOM 111 C ILE A 21 3.029 3.490 3.803 1.00 0.00 C ATOM 112 O ILE A 21 3.023 3.642 5.002 1.00 0.00 O ATOM 113 CB ILE A 21 0.961 2.419 3.598 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.459 1.261 4.453 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.095 2.628 2.360 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.849 1.566 5.122 1.00 0.00 C ATOM 0 H ILE A 21 2.551 0.618 4.406 1.00 0.00 H new ATOM 0 HA ILE A 21 2.485 2.207 2.122 1.00 0.00 H new ATOM 0 HB ILE A 21 0.879 3.297 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.346 0.375 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.205 1.024 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.950 2.712 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.402 3.542 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.214 1.780 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.161 0.709 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.733 2.435 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.605 1.776 4.365 1.00 0.00 H new ATOM 128 N HIS A 22 3.548 4.312 3.018 1.00 0.00 N ATOM 129 CA HIS A 22 4.071 5.511 3.536 1.00 0.00 C ATOM 130 C HIS A 22 2.910 6.482 3.494 1.00 0.00 C ATOM 131 O HIS A 22 2.409 6.800 2.403 1.00 0.00 O ATOM 132 CB HIS A 22 5.235 6.029 2.679 1.00 0.00 C ATOM 133 CG HIS A 22 6.487 5.191 2.610 1.00 0.00 C ATOM 134 ND1 HIS A 22 7.342 5.224 1.525 1.00 0.00 N ATOM 135 CD2 HIS A 22 7.074 4.375 3.516 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.386 4.468 1.774 1.00 0.00 C ATOM 137 NE2 HIS A 22 8.257 3.943 2.970 1.00 0.00 N ATOM 0 H HIS A 22 3.631 4.193 2.008 1.00 0.00 H new ATOM 0 HA HIS A 22 4.472 5.378 4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.867 6.165 1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.512 7.015 3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.684 4.112 4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.217 4.305 1.103 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.925 3.317 3.420 1.00 0.00 H new ATOM 146 N LEU A 23 2.513 6.960 4.637 1.00 0.00 N ATOM 147 CA LEU A 23 1.337 7.792 4.769 1.00 0.00 C ATOM 148 C LEU A 23 1.683 9.262 5.018 1.00 0.00 C ATOM 149 O LEU A 23 2.620 9.804 4.385 1.00 0.00 O ATOM 150 CB LEU A 23 0.479 7.244 5.915 1.00 0.00 C ATOM 151 CG LEU A 23 -0.085 5.852 5.681 1.00 0.00 C ATOM 152 CD1 LEU A 23 -1.092 5.497 6.756 1.00 0.00 C ATOM 153 CD2 LEU A 23 -0.703 5.764 4.296 1.00 0.00 C ATOM 0 H LEU A 23 2.997 6.785 5.518 1.00 0.00 H new ATOM 0 HA LEU A 23 0.787 7.760 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.080 7.229 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.349 7.931 6.091 1.00 0.00 H new ATOM 0 HG LEU A 23 0.728 5.128 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.484 4.497 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.607 5.522 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.911 6.217 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.104 4.763 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.507 6.494 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.058 5.972 3.544 1.00 0.00 H new ATOM 165 N CYS A 24 0.914 9.877 5.935 1.00 0.00 N ATOM 166 CA CYS A 24 0.961 11.287 6.329 1.00 0.00 C ATOM 167 C CYS A 24 0.155 12.141 5.406 1.00 0.00 C ATOM 168 O CYS A 24 0.631 12.500 4.321 1.00 0.00 O ATOM 169 CB CYS A 24 2.359 11.897 6.456 1.00 0.00 C ATOM 170 SG CYS A 24 3.475 11.185 7.702 1.00 0.00 S ATOM 0 H CYS A 24 0.199 9.364 6.451 1.00 0.00 H new ATOM 0 HA CYS A 24 0.535 11.277 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.848 11.823 5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.244 12.959 6.675 1.00 0.00 H new ATOM 175 N GLN A 25 -1.087 12.395 5.790 1.00 0.00 N ATOM 176 CA GLN A 25 -1.909 13.387 5.124 1.00 0.00 C ATOM 177 C GLN A 25 -1.192 14.718 5.288 1.00 0.00 C ATOM 178 O GLN A 25 -1.136 15.276 6.381 1.00 0.00 O ATOM 179 CB GLN A 25 -3.319 13.421 5.749 1.00 0.00 C ATOM 180 CG GLN A 25 -4.253 14.510 5.210 1.00 0.00 C ATOM 181 CD GLN A 25 -4.473 14.445 3.708 1.00 0.00 C ATOM 182 OE1 GLN A 25 -3.741 15.068 2.930 1.00 0.00 O ATOM 183 NE2 GLN A 25 -5.473 13.716 3.286 1.00 0.00 N ATOM 0 H GLN A 25 -1.548 11.922 6.567 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.044 13.155 4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.791 12.451 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.217 13.554 6.826 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.217 14.429 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.842 15.487 5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.057 13.215 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.669 13.648 2.287 1.00 0.00 H new ATOM 192 N ARG A 26 -0.596 15.175 4.230 1.00 0.00 N ATOM 193 CA ARG A 26 0.269 16.314 4.299 1.00 0.00 C ATOM 194 C ARG A 26 0.081 17.081 3.007 1.00 0.00 C ATOM 195 O ARG A 26 -0.502 18.160 2.985 1.00 0.00 O ATOM 196 CB ARG A 26 1.722 15.782 4.450 1.00 0.00 C ATOM 197 CG ARG A 26 2.722 16.687 5.167 1.00 0.00 C ATOM 198 CD ARG A 26 3.054 17.948 4.412 1.00 0.00 C ATOM 199 NE ARG A 26 4.057 18.740 5.128 1.00 0.00 N ATOM 200 CZ ARG A 26 4.537 19.925 4.727 1.00 0.00 C ATOM 201 NH1 ARG A 26 4.088 20.494 3.610 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.446 20.551 5.461 1.00 0.00 N ATOM 0 H ARG A 26 -0.694 14.772 3.298 1.00 0.00 H new ATOM 0 HA ARG A 26 0.053 16.974 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.681 14.833 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.110 15.571 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.319 16.955 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.641 16.128 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.426 17.694 3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.150 18.541 4.271 1.00 0.00 H new ATOM 0 HE ARG A 26 4.419 18.359 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.373 20.028 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.459 21.396 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.778 20.131 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.813 21.453 5.158 1.00 0.00 H new ATOM 216 N SER A 27 0.505 16.479 1.942 1.00 0.00 N ATOM 217 CA SER A 27 0.342 17.017 0.620 1.00 0.00 C ATOM 218 C SER A 27 -0.866 16.300 -0.024 1.00 0.00 C ATOM 219 O SER A 27 -1.514 15.533 0.691 1.00 0.00 O ATOM 220 CB SER A 27 1.632 16.743 -0.131 1.00 0.00 C ATOM 221 OG SER A 27 2.736 17.346 0.539 1.00 0.00 O ATOM 0 H SER A 27 0.985 15.579 1.963 1.00 0.00 H new ATOM 0 HA SER A 27 0.151 18.090 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.791 15.668 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.558 17.132 -1.147 1.00 0.00 H new ATOM 0 HG SER A 27 3.561 17.159 0.044 1.00 0.00 H new ATOM 227 N PRO A 28 -1.233 16.594 -1.335 1.00 0.00 N ATOM 228 CA PRO A 28 -2.307 15.887 -2.071 1.00 0.00 C ATOM 229 C PRO A 28 -2.411 14.393 -1.722 1.00 0.00 C ATOM 230 O PRO A 28 -1.592 13.567 -2.145 1.00 0.00 O ATOM 231 CB PRO A 28 -1.880 16.066 -3.522 1.00 0.00 C ATOM 232 CG PRO A 28 -1.245 17.417 -3.558 1.00 0.00 C ATOM 233 CD PRO A 28 -0.681 17.686 -2.176 1.00 0.00 C ATOM 0 HA PRO A 28 -3.293 16.283 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.179 15.289 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.734 16.010 -4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.455 17.451 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.976 18.178 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.409 17.672 -2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.985 18.665 -1.806 1.00 0.00 H new ATOM 241 N GLY A 29 -3.382 14.080 -0.910 1.00 0.00 N ATOM 242 CA GLY A 29 -3.553 12.757 -0.436 1.00 0.00 C ATOM 243 C GLY A 29 -4.604 12.014 -1.162 1.00 0.00 C ATOM 244 O GLY A 29 -5.253 12.550 -2.071 1.00 0.00 O ATOM 0 H GLY A 29 -4.073 14.745 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.609 12.220 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.803 12.787 0.624 1.00 0.00 H new ATOM 248 N SER A 30 -4.804 10.799 -0.765 1.00 0.00 N ATOM 249 CA SER A 30 -5.750 9.968 -1.393 1.00 0.00 C ATOM 250 C SER A 30 -6.843 9.556 -0.453 1.00 0.00 C ATOM 251 O SER A 30 -6.616 9.131 0.690 1.00 0.00 O ATOM 252 CB SER A 30 -5.081 8.761 -2.003 1.00 0.00 C ATOM 253 OG SER A 30 -4.176 9.163 -2.974 1.00 0.00 O ATOM 0 H SER A 30 -4.306 10.362 0.011 1.00 0.00 H new ATOM 0 HA SER A 30 -6.212 10.547 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.568 8.189 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.830 8.102 -2.442 1.00 0.00 H new ATOM 0 HG SER A 30 -4.614 9.160 -3.851 1.00 0.00 H new ATOM 259 N GLN A 31 -7.992 9.620 -0.965 1.00 0.00 N ATOM 260 CA GLN A 31 -9.188 9.285 -0.270 1.00 0.00 C ATOM 261 C GLN A 31 -9.402 7.807 -0.463 1.00 0.00 C ATOM 262 O GLN A 31 -9.918 7.122 0.395 1.00 0.00 O ATOM 263 CB GLN A 31 -10.341 10.137 -0.807 1.00 0.00 C ATOM 264 CG GLN A 31 -10.515 10.038 -2.310 1.00 0.00 C ATOM 265 CD GLN A 31 -11.419 11.096 -2.886 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.344 11.580 -2.239 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.139 11.482 -4.095 1.00 0.00 N ATOM 0 H GLN A 31 -8.153 9.920 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.127 9.494 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.267 9.830 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.169 11.179 -0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.537 10.110 -2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.917 9.055 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.362 11.055 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.696 12.212 -4.539 1.00 0.00 H new ATOM 276 N GLY A 32 -8.899 7.319 -1.586 1.00 0.00 N ATOM 277 CA GLY A 32 -8.893 5.929 -1.846 1.00 0.00 C ATOM 278 C GLY A 32 -7.889 5.251 -0.963 1.00 0.00 C ATOM 279 O GLY A 32 -8.076 4.095 -0.575 1.00 0.00 O ATOM 0 H GLY A 32 -8.491 7.890 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.885 5.513 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.652 5.747 -2.893 1.00 0.00 H new ATOM 283 N VAL A 33 -6.816 5.982 -0.590 1.00 0.00 N ATOM 284 CA VAL A 33 -5.855 5.364 0.314 1.00 0.00 C ATOM 285 C VAL A 33 -6.459 5.354 1.691 1.00 0.00 C ATOM 286 O VAL A 33 -6.427 4.368 2.329 1.00 0.00 O ATOM 287 CB VAL A 33 -4.383 5.947 0.317 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.240 7.293 1.007 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.415 4.940 0.921 1.00 0.00 C ATOM 0 H VAL A 33 -6.610 6.937 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.686 4.357 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.137 6.125 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.200 7.616 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.871 8.028 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.547 7.202 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.407 5.356 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.712 4.720 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.432 4.022 0.334 1.00 0.00 H new ATOM 299 N ARG A 34 -7.019 6.497 2.108 1.00 0.00 N ATOM 300 CA ARG A 34 -7.848 6.648 3.325 1.00 0.00 C ATOM 301 C ARG A 34 -8.755 5.444 3.504 1.00 0.00 C ATOM 302 O ARG A 34 -8.727 4.758 4.546 1.00 0.00 O ATOM 303 CB ARG A 34 -8.767 7.835 3.130 1.00 0.00 C ATOM 304 CG ARG A 34 -9.727 8.064 4.269 1.00 0.00 C ATOM 305 CD ARG A 34 -10.866 8.958 3.858 1.00 0.00 C ATOM 306 NE ARG A 34 -11.945 8.874 4.827 1.00 0.00 N ATOM 307 CZ ARG A 34 -13.158 8.357 4.569 1.00 0.00 C ATOM 308 NH1 ARG A 34 -13.513 8.023 3.319 1.00 0.00 N ATOM 309 NH2 ARG A 34 -14.025 8.191 5.557 1.00 0.00 N ATOM 0 H ARG A 34 -6.908 7.373 1.597 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.185 6.762 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.161 8.731 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.337 7.693 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.120 7.107 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.196 8.512 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.519 9.988 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.229 8.667 2.872 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.770 9.231 5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.858 8.161 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.437 7.632 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.770 8.455 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.947 7.799 5.366 1.00 0.00 H new ATOM 323 N ASP A 35 -9.559 5.214 2.478 1.00 0.00 N ATOM 324 CA ASP A 35 -10.480 4.084 2.425 1.00 0.00 C ATOM 325 C ASP A 35 -9.751 2.827 2.671 1.00 0.00 C ATOM 326 O ASP A 35 -10.140 2.062 3.529 1.00 0.00 O ATOM 327 CB ASP A 35 -11.217 3.996 1.090 1.00 0.00 C ATOM 328 CG ASP A 35 -12.425 4.898 0.926 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.412 4.717 1.639 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.423 5.762 0.014 1.00 0.00 O ATOM 0 H ASP A 35 -9.593 5.810 1.651 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.227 4.242 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.509 4.225 0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.538 2.965 0.945 1.00 0.00 H new ATOM 335 N PHE A 36 -8.699 2.627 1.940 1.00 0.00 N ATOM 336 CA PHE A 36 -7.825 1.506 2.148 1.00 0.00 C ATOM 337 C PHE A 36 -7.439 1.411 3.621 1.00 0.00 C ATOM 338 O PHE A 36 -7.848 0.493 4.285 1.00 0.00 O ATOM 339 CB PHE A 36 -6.624 1.599 1.151 1.00 0.00 C ATOM 340 CG PHE A 36 -5.276 1.016 1.549 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.485 1.644 2.497 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.770 -0.103 0.917 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.244 1.156 2.810 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.516 -0.581 1.217 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.753 0.048 2.166 1.00 0.00 C ATOM 0 H PHE A 36 -8.417 3.240 1.175 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.325 0.563 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.930 1.113 0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.470 2.653 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.851 2.529 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.369 -0.611 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.649 1.645 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.133 -1.451 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.769 -0.327 2.406 1.00 0.00 H new ATOM 355 N ILE A 37 -6.852 2.466 4.105 1.00 0.00 N ATOM 356 CA ILE A 37 -6.285 2.584 5.461 1.00 0.00 C ATOM 357 C ILE A 37 -7.317 2.155 6.535 1.00 0.00 C ATOM 358 O ILE A 37 -6.987 1.447 7.480 1.00 0.00 O ATOM 359 CB ILE A 37 -5.895 4.076 5.847 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.071 4.901 4.812 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.232 4.159 7.215 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.731 4.353 4.431 1.00 0.00 C ATOM 0 H ILE A 37 -6.739 3.319 3.558 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.402 1.946 5.443 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.872 4.559 5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.667 5.003 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.927 5.904 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.983 5.197 7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.916 3.780 7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.322 3.560 7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.259 5.017 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.102 4.279 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.854 3.364 3.990 1.00 0.00 H new ATOM 374 N GLU A 38 -8.555 2.601 6.387 1.00 0.00 N ATOM 375 CA GLU A 38 -9.510 2.450 7.476 1.00 0.00 C ATOM 376 C GLU A 38 -10.535 1.403 7.212 1.00 0.00 C ATOM 377 O GLU A 38 -10.786 0.523 8.021 1.00 0.00 O ATOM 378 CB GLU A 38 -10.139 3.785 7.900 1.00 0.00 C ATOM 379 CG GLU A 38 -10.887 4.545 6.814 1.00 0.00 C ATOM 380 CD GLU A 38 -11.416 5.838 7.332 1.00 0.00 C ATOM 381 OE1 GLU A 38 -10.624 6.764 7.528 1.00 0.00 O ATOM 382 OE2 GLU A 38 -12.623 5.945 7.609 1.00 0.00 O ATOM 0 H GLU A 38 -8.916 3.058 5.549 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.929 2.096 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.828 3.594 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.350 4.429 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.221 4.732 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.710 3.936 6.440 1.00 0.00 H new ATOM 389 N LYS A 39 -11.109 1.512 6.067 1.00 0.00 N ATOM 390 CA LYS A 39 -12.205 0.711 5.646 1.00 0.00 C ATOM 391 C LYS A 39 -11.709 -0.595 5.126 1.00 0.00 C ATOM 392 O LYS A 39 -12.286 -1.651 5.401 1.00 0.00 O ATOM 393 CB LYS A 39 -12.909 1.459 4.526 1.00 0.00 C ATOM 394 CG LYS A 39 -14.145 0.793 3.956 1.00 0.00 C ATOM 395 CD LYS A 39 -14.774 1.683 2.900 1.00 0.00 C ATOM 396 CE LYS A 39 -15.287 2.984 3.505 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.769 3.918 2.474 1.00 0.00 N ATOM 0 H LYS A 39 -10.815 2.192 5.366 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.881 0.521 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.190 2.445 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.197 1.613 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.881 -0.171 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.863 0.597 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.041 1.905 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.597 1.154 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.095 2.766 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.490 3.457 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.539 4.498 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.989 4.536 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.120 3.381 1.656 1.00 0.00 H new ATOM 411 N ARG A 40 -10.614 -0.549 4.412 1.00 0.00 N ATOM 412 CA ARG A 40 -10.185 -1.699 3.748 1.00 0.00 C ATOM 413 C ARG A 40 -9.094 -2.402 4.528 1.00 0.00 C ATOM 414 O ARG A 40 -8.846 -3.534 4.263 1.00 0.00 O ATOM 415 CB ARG A 40 -9.744 -1.345 2.307 1.00 0.00 C ATOM 416 CG ARG A 40 -9.281 -2.528 1.484 1.00 0.00 C ATOM 417 CD ARG A 40 -10.412 -3.481 1.143 1.00 0.00 C ATOM 418 NE ARG A 40 -9.896 -4.812 0.784 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.562 -5.729 0.064 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.557 -5.389 -0.720 1.00 0.00 N ATOM 421 NH2 ARG A 40 -10.166 -6.986 0.073 1.00 0.00 N ATOM 0 H ARG A 40 -10.025 0.275 4.291 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.017 -2.400 3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.577 -0.865 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.936 -0.615 2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.824 -2.168 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.509 -3.068 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.088 -3.567 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.994 -3.078 0.314 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.960 -5.057 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.839 -4.411 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.049 -6.102 -1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.355 -7.261 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.671 -7.684 -0.473 1.00 0.00 H new ATOM 435 N TYR A 41 -8.455 -1.717 5.503 1.00 0.00 N ATOM 436 CA TYR A 41 -7.293 -2.314 6.286 1.00 0.00 C ATOM 437 C TYR A 41 -7.386 -3.813 6.569 1.00 0.00 C ATOM 438 O TYR A 41 -6.616 -4.599 6.015 1.00 0.00 O ATOM 439 CB TYR A 41 -7.049 -1.598 7.601 1.00 0.00 C ATOM 440 CG TYR A 41 -5.815 -2.092 8.338 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.550 -1.648 8.007 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.932 -3.047 9.340 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.435 -2.147 8.651 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.838 -3.541 9.988 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.585 -3.095 9.642 1.00 0.00 C ATOM 446 OH TYR A 41 -2.472 -3.614 10.271 1.00 0.00 O ATOM 0 H TYR A 41 -8.701 -0.767 5.780 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.454 -2.166 5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.946 -0.530 7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.921 -1.725 8.242 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.431 -0.902 7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.913 -3.407 9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.450 -1.797 8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.956 -4.278 10.768 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.752 -4.269 10.944 1.00 0.00 H new ATOM 456 N VAL A 42 -8.285 -4.189 7.426 1.00 0.00 N ATOM 457 CA VAL A 42 -8.441 -5.579 7.825 1.00 0.00 C ATOM 458 C VAL A 42 -8.756 -6.479 6.618 1.00 0.00 C ATOM 459 O VAL A 42 -8.266 -7.604 6.515 1.00 0.00 O ATOM 460 CB VAL A 42 -9.477 -5.691 8.973 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.654 -4.798 8.685 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.927 -7.127 9.212 1.00 0.00 C ATOM 0 H VAL A 42 -8.939 -3.549 7.877 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.494 -5.948 8.219 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.992 -5.363 9.892 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.380 -4.880 9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.316 -3.765 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.120 -5.102 7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.652 -7.150 10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.387 -7.520 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.065 -7.739 9.476 1.00 0.00 H new ATOM 472 N GLU A 43 -9.475 -5.929 5.669 1.00 0.00 N ATOM 473 CA GLU A 43 -9.808 -6.627 4.448 1.00 0.00 C ATOM 474 C GLU A 43 -8.581 -6.720 3.543 1.00 0.00 C ATOM 475 O GLU A 43 -8.494 -7.623 2.768 1.00 0.00 O ATOM 476 CB GLU A 43 -10.941 -5.916 3.704 1.00 0.00 C ATOM 477 CG GLU A 43 -12.223 -5.713 4.489 1.00 0.00 C ATOM 478 CD GLU A 43 -12.869 -7.004 4.896 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.370 -7.734 4.019 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.910 -7.299 6.102 1.00 0.00 O ATOM 0 H GLU A 43 -9.848 -4.981 5.721 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.140 -7.631 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.580 -4.941 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.174 -6.487 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.008 -5.123 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.924 -5.136 3.887 1.00 0.00 H new ATOM 487 N LEU A 44 -7.626 -5.791 3.624 1.00 0.00 N ATOM 488 CA LEU A 44 -6.457 -5.934 2.777 1.00 0.00 C ATOM 489 C LEU A 44 -5.442 -6.819 3.436 1.00 0.00 C ATOM 490 O LEU A 44 -4.652 -7.457 2.782 1.00 0.00 O ATOM 491 CB LEU A 44 -5.885 -4.593 2.283 1.00 0.00 C ATOM 492 CG LEU A 44 -5.212 -3.656 3.265 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.762 -3.506 2.903 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.880 -2.306 3.241 1.00 0.00 C ATOM 0 H LEU A 44 -7.639 -4.975 4.236 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.774 -6.430 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.162 -4.817 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.702 -4.043 1.816 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.298 -4.074 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.278 -2.832 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.275 -4.481 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.679 -3.097 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.386 -1.643 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.809 -1.882 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.929 -2.414 3.515 1.00 0.00 H new ATOM 506 N LYS A 45 -5.525 -6.899 4.737 1.00 0.00 N ATOM 507 CA LYS A 45 -4.695 -7.795 5.495 1.00 0.00 C ATOM 508 C LYS A 45 -5.155 -9.235 5.246 1.00 0.00 C ATOM 509 O LYS A 45 -4.347 -10.145 5.096 1.00 0.00 O ATOM 510 CB LYS A 45 -4.784 -7.448 6.990 1.00 0.00 C ATOM 511 CG LYS A 45 -3.881 -8.280 7.882 1.00 0.00 C ATOM 512 CD LYS A 45 -4.036 -7.892 9.343 1.00 0.00 C ATOM 513 CE LYS A 45 -3.099 -8.694 10.239 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.682 -8.492 9.873 1.00 0.00 N ATOM 0 H LYS A 45 -6.170 -6.345 5.301 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.656 -7.694 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.534 -6.395 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.815 -7.574 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.117 -9.337 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.843 -8.147 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.831 -6.828 9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.067 -8.055 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.251 -8.402 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.345 -9.753 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.073 -8.822 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.466 -9.031 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.508 -7.481 9.702 1.00 0.00 H new ATOM 528 N LYS A 46 -6.462 -9.422 5.172 1.00 0.00 N ATOM 529 CA LYS A 46 -7.018 -10.742 4.973 1.00 0.00 C ATOM 530 C LYS A 46 -7.007 -11.117 3.499 1.00 0.00 C ATOM 531 O LYS A 46 -6.835 -12.293 3.151 1.00 0.00 O ATOM 532 CB LYS A 46 -8.459 -10.800 5.515 1.00 0.00 C ATOM 533 CG LYS A 46 -9.515 -10.152 4.618 1.00 0.00 C ATOM 534 CD LYS A 46 -10.679 -9.596 5.438 1.00 0.00 C ATOM 535 CE LYS A 46 -11.437 -10.664 6.218 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.122 -11.636 5.338 1.00 0.00 N ATOM 0 H LYS A 46 -7.153 -8.676 5.247 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.401 -11.456 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.730 -11.844 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.484 -10.313 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.059 -9.349 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.889 -10.886 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.298 -8.850 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.372 -9.084 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.742 -11.196 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.172 -10.183 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.663 -12.309 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.769 -11.131 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.416 -12.153 4.776 1.00 0.00 H new ATOM 550 N ALA A 47 -7.182 -10.128 2.623 1.00 0.00 N ATOM 551 CA ALA A 47 -7.325 -10.427 1.234 1.00 0.00 C ATOM 552 C ALA A 47 -5.998 -10.538 0.521 1.00 0.00 C ATOM 553 O ALA A 47 -5.899 -11.179 -0.525 1.00 0.00 O ATOM 554 CB ALA A 47 -8.198 -9.440 0.518 1.00 0.00 C ATOM 0 H ALA A 47 -7.225 -9.137 2.862 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.812 -11.402 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.272 -9.716 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.192 -9.443 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.765 -8.443 0.602 1.00 0.00 H new ATOM 560 N ASN A 48 -4.978 -9.923 1.098 1.00 0.00 N ATOM 561 CA ASN A 48 -3.650 -9.903 0.558 1.00 0.00 C ATOM 562 C ASN A 48 -2.766 -10.548 1.647 1.00 0.00 C ATOM 563 O ASN A 48 -2.109 -9.866 2.426 1.00 0.00 O ATOM 564 CB ASN A 48 -3.151 -8.437 0.252 1.00 0.00 C ATOM 565 CG ASN A 48 -4.016 -7.568 -0.704 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.238 -7.698 -0.768 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.390 -6.625 -1.432 1.00 0.00 N ATOM 0 H ASN A 48 -5.065 -9.414 1.978 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.610 -10.435 -0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.063 -7.907 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.148 -8.504 -0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.929 -6.011 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.377 -6.524 -1.373 1.00 0.00 H new ATOM 574 N PRO A 49 -2.831 -11.884 1.760 1.00 0.00 N ATOM 575 CA PRO A 49 -2.190 -12.658 2.845 1.00 0.00 C ATOM 576 C PRO A 49 -0.696 -12.541 2.856 1.00 0.00 C ATOM 577 O PRO A 49 -0.084 -12.232 3.866 1.00 0.00 O ATOM 578 CB PRO A 49 -2.616 -14.095 2.546 1.00 0.00 C ATOM 579 CG PRO A 49 -2.892 -14.074 1.094 1.00 0.00 C ATOM 580 CD PRO A 49 -3.545 -12.758 0.844 1.00 0.00 C ATOM 0 HA PRO A 49 -2.494 -12.297 3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.830 -14.808 2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.498 -14.380 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.973 -14.175 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.543 -14.899 0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.435 -12.439 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.614 -12.786 1.057 1.00 0.00 H new ATOM 588 N ASP A 50 -0.131 -12.748 1.729 1.00 0.00 N ATOM 589 CA ASP A 50 1.329 -12.684 1.567 1.00 0.00 C ATOM 590 C ASP A 50 1.747 -11.241 1.216 1.00 0.00 C ATOM 591 O ASP A 50 2.778 -10.976 0.597 1.00 0.00 O ATOM 592 CB ASP A 50 1.790 -13.691 0.497 1.00 0.00 C ATOM 593 CG ASP A 50 3.301 -13.886 0.464 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.838 -14.673 1.300 1.00 0.00 O ATOM 595 OD2 ASP A 50 3.970 -13.280 -0.390 1.00 0.00 O ATOM 0 H ASP A 50 -0.638 -12.969 0.872 1.00 0.00 H new ATOM 0 HA ASP A 50 1.816 -12.958 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.311 -14.652 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.453 -13.350 -0.482 1.00 0.00 H new ATOM 600 N LEU A 51 0.944 -10.318 1.629 1.00 0.00 N ATOM 601 CA LEU A 51 1.195 -8.933 1.430 1.00 0.00 C ATOM 602 C LEU A 51 1.281 -8.285 2.838 1.00 0.00 C ATOM 603 O LEU A 51 0.270 -8.121 3.480 1.00 0.00 O ATOM 604 CB LEU A 51 0.006 -8.364 0.593 1.00 0.00 C ATOM 605 CG LEU A 51 0.002 -6.905 0.066 1.00 0.00 C ATOM 606 CD1 LEU A 51 0.055 -5.847 1.147 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.080 -6.706 -0.936 1.00 0.00 C ATOM 0 H LEU A 51 0.075 -10.512 2.126 1.00 0.00 H new ATOM 0 HA LEU A 51 2.122 -8.731 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.108 -9.013 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.892 -8.483 1.199 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.967 -6.769 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.048 -4.858 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.812 -5.950 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.967 -5.970 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.060 -5.676 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.047 -6.912 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.926 -7.384 -1.776 1.00 0.00 H new ATOM 619 N PRO A 52 2.501 -8.087 3.391 1.00 0.00 N ATOM 620 CA PRO A 52 2.707 -7.357 4.666 1.00 0.00 C ATOM 621 C PRO A 52 2.081 -6.005 4.666 1.00 0.00 C ATOM 622 O PRO A 52 2.369 -5.195 3.787 1.00 0.00 O ATOM 623 CB PRO A 52 4.184 -7.162 4.695 1.00 0.00 C ATOM 624 CG PRO A 52 4.712 -8.356 4.021 1.00 0.00 C ATOM 625 CD PRO A 52 3.767 -8.624 2.890 1.00 0.00 C ATOM 0 HA PRO A 52 2.275 -7.903 5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.477 -6.249 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.556 -7.082 5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.724 -8.185 3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.759 -9.204 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.083 -8.127 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.695 -9.688 2.667 1.00 0.00 H new ATOM 633 N ILE A 53 1.316 -5.746 5.682 1.00 0.00 N ATOM 634 CA ILE A 53 0.570 -4.511 5.796 1.00 0.00 C ATOM 635 C ILE A 53 1.211 -3.683 6.911 1.00 0.00 C ATOM 636 O ILE A 53 0.986 -3.974 8.093 1.00 0.00 O ATOM 637 CB ILE A 53 -0.908 -4.758 6.243 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.558 -6.001 5.578 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.749 -3.516 5.981 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.793 -5.912 4.096 1.00 0.00 C ATOM 0 H ILE A 53 1.185 -6.385 6.466 1.00 0.00 H new ATOM 0 HA ILE A 53 0.581 -4.022 4.822 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.877 -4.967 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.924 -6.866 5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.514 -6.190 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.776 -3.699 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.342 -2.676 6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.732 -3.283 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.250 -6.837 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.457 -5.075 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.842 -5.760 3.585 1.00 0.00 H new ATOM 652 N LEU A 54 2.028 -2.713 6.570 1.00 0.00 N ATOM 653 CA LEU A 54 2.710 -1.904 7.586 1.00 0.00 C ATOM 654 C LEU A 54 2.505 -0.405 7.295 1.00 0.00 C ATOM 655 O LEU A 54 2.697 0.022 6.175 1.00 0.00 O ATOM 656 CB LEU A 54 4.214 -2.240 7.568 1.00 0.00 C ATOM 657 CG LEU A 54 4.584 -3.739 7.651 1.00 0.00 C ATOM 658 CD1 LEU A 54 6.071 -3.935 7.496 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.118 -4.355 8.954 1.00 0.00 C ATOM 0 H LEU A 54 2.244 -2.457 5.607 1.00 0.00 H new ATOM 0 HA LEU A 54 2.294 -2.128 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.644 -1.832 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.689 -1.724 8.402 1.00 0.00 H new ATOM 0 HG LEU A 54 4.072 -4.243 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.306 -4.997 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.390 -3.549 6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.593 -3.401 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.395 -5.409 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.588 -3.837 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.035 -4.263 9.033 1.00 0.00 H new ATOM 671 N ILE A 55 2.129 0.373 8.303 1.00 0.00 N ATOM 672 CA ILE A 55 1.887 1.811 8.163 1.00 0.00 C ATOM 673 C ILE A 55 3.172 2.568 8.491 1.00 0.00 C ATOM 674 O ILE A 55 3.750 2.414 9.567 1.00 0.00 O ATOM 675 CB ILE A 55 0.702 2.330 9.095 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.695 1.874 8.596 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.731 3.846 9.280 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.986 0.398 8.763 1.00 0.00 C ATOM 0 H ILE A 55 1.981 0.024 9.250 1.00 0.00 H new ATOM 0 HA ILE A 55 1.584 1.996 7.132 1.00 0.00 H new ATOM 0 HB ILE A 55 0.873 1.868 10.067 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.457 2.441 9.130 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.788 2.130 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.096 4.150 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.675 4.138 9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.635 4.333 8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.985 0.179 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.252 -0.183 8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.931 0.134 9.819 1.00 0.00 H new ATOM 690 N ARG A 56 3.618 3.338 7.554 1.00 0.00 N ATOM 691 CA ARG A 56 4.848 4.119 7.666 1.00 0.00 C ATOM 692 C ARG A 56 4.623 5.594 7.387 1.00 0.00 C ATOM 693 O ARG A 56 3.550 6.005 6.961 1.00 0.00 O ATOM 694 CB ARG A 56 5.932 3.584 6.751 1.00 0.00 C ATOM 695 CG ARG A 56 6.366 2.177 7.084 1.00 0.00 C ATOM 696 CD ARG A 56 6.967 2.082 8.477 1.00 0.00 C ATOM 697 NE ARG A 56 8.216 2.842 8.621 1.00 0.00 N ATOM 698 CZ ARG A 56 8.901 2.992 9.768 1.00 0.00 C ATOM 699 NH1 ARG A 56 8.371 2.605 10.928 1.00 0.00 N ATOM 700 NH2 ARG A 56 10.092 3.568 9.752 1.00 0.00 N ATOM 0 H ARG A 56 3.141 3.458 6.661 1.00 0.00 H new ATOM 0 HA ARG A 56 5.177 4.018 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.573 3.610 5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.798 4.244 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.510 1.507 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.097 1.840 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.242 2.446 9.204 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.157 1.035 8.713 1.00 0.00 H new ATOM 0 HE ARG A 56 8.593 3.291 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.439 2.191 10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.898 2.722 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.488 3.897 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.614 3.683 10.620 1.00 0.00 H new ATOM 714 N GLU A 57 5.656 6.364 7.615 1.00 0.00 N ATOM 715 CA GLU A 57 5.627 7.813 7.509 1.00 0.00 C ATOM 716 C GLU A 57 5.790 8.380 6.098 1.00 0.00 C ATOM 717 O GLU A 57 6.065 7.679 5.126 1.00 0.00 O ATOM 718 CB GLU A 57 6.605 8.477 8.457 1.00 0.00 C ATOM 719 CG GLU A 57 6.210 8.394 9.911 1.00 0.00 C ATOM 720 CD GLU A 57 7.168 9.144 10.783 1.00 0.00 C ATOM 721 OE1 GLU A 57 7.164 10.392 10.759 1.00 0.00 O ATOM 722 OE2 GLU A 57 7.973 8.509 11.482 1.00 0.00 O ATOM 0 H GLU A 57 6.568 5.997 7.887 1.00 0.00 H new ATOM 0 HA GLU A 57 4.608 8.061 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.585 8.017 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.708 9.526 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.206 8.798 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.175 7.350 10.221 1.00 0.00 H new ATOM 729 N CYS A 58 5.540 9.654 6.038 1.00 0.00 N ATOM 730 CA CYS A 58 5.592 10.521 4.870 1.00 0.00 C ATOM 731 C CYS A 58 6.937 10.516 4.122 1.00 0.00 C ATOM 732 O CYS A 58 7.974 10.108 4.668 1.00 0.00 O ATOM 733 CB CYS A 58 5.257 11.925 5.356 1.00 0.00 C ATOM 734 SG CYS A 58 5.236 12.063 7.191 1.00 0.00 S ATOM 0 H CYS A 58 5.269 10.171 6.874 1.00 0.00 H new ATOM 0 HA CYS A 58 4.878 10.148 4.136 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.986 12.627 4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.283 12.217 4.964 1.00 0.00 H new ATOM 739 N SER A 59 6.888 11.000 2.863 1.00 0.00 N ATOM 740 CA SER A 59 8.036 11.078 1.966 1.00 0.00 C ATOM 741 C SER A 59 7.648 11.763 0.621 1.00 0.00 C ATOM 742 O SER A 59 7.925 12.944 0.412 1.00 0.00 O ATOM 743 CB SER A 59 8.665 9.684 1.730 1.00 0.00 C ATOM 744 OG SER A 59 7.685 8.735 1.302 1.00 0.00 O ATOM 0 H SER A 59 6.027 11.352 2.443 1.00 0.00 H new ATOM 0 HA SER A 59 8.793 11.697 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.452 9.761 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.135 9.335 2.650 1.00 0.00 H new ATOM 0 HG SER A 59 7.295 8.292 2.084 1.00 0.00 H new ATOM 750 N ASP A 60 6.943 11.036 -0.249 1.00 0.00 N ATOM 751 CA ASP A 60 6.595 11.535 -1.591 1.00 0.00 C ATOM 752 C ASP A 60 5.142 11.965 -1.685 1.00 0.00 C ATOM 753 O ASP A 60 4.272 11.172 -2.021 1.00 0.00 O ATOM 754 CB ASP A 60 6.871 10.482 -2.677 1.00 0.00 C ATOM 755 CG ASP A 60 8.312 10.071 -2.785 1.00 0.00 C ATOM 756 OD1 ASP A 60 9.087 10.769 -3.466 1.00 0.00 O ATOM 757 OD2 ASP A 60 8.694 9.033 -2.204 1.00 0.00 O ATOM 0 H ASP A 60 6.599 10.096 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 60 7.231 12.404 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.267 9.598 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.544 10.875 -3.640 1.00 0.00 H new ATOM 762 N VAL A 61 4.881 13.183 -1.320 1.00 0.00 N ATOM 763 CA VAL A 61 3.583 13.818 -1.394 1.00 0.00 C ATOM 764 C VAL A 61 2.706 13.346 -0.259 1.00 0.00 C ATOM 765 O VAL A 61 2.526 14.048 0.732 1.00 0.00 O ATOM 766 CB VAL A 61 2.873 13.648 -2.792 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.507 14.307 -2.806 1.00 0.00 C ATOM 768 CG2 VAL A 61 3.730 14.228 -3.907 1.00 0.00 C ATOM 0 H VAL A 61 5.599 13.800 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 61 3.750 14.890 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 61 2.742 12.579 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.047 14.170 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.876 13.853 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.615 15.372 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.220 14.099 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.895 15.290 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.689 13.711 -3.935 1.00 0.00 H new ATOM 778 N GLN A 62 2.310 12.118 -0.309 1.00 0.00 N ATOM 779 CA GLN A 62 1.322 11.634 0.683 1.00 0.00 C ATOM 780 C GLN A 62 1.150 10.105 0.711 1.00 0.00 C ATOM 781 O GLN A 62 1.515 9.498 1.683 1.00 0.00 O ATOM 782 CB GLN A 62 -0.053 12.389 0.541 1.00 0.00 C ATOM 783 CG GLN A 62 -1.022 12.479 1.772 1.00 0.00 C ATOM 784 CD GLN A 62 -1.878 11.239 2.184 1.00 0.00 C ATOM 785 OE1 GLN A 62 -3.002 11.402 2.642 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.369 10.054 2.131 1.00 0.00 N ATOM 0 H GLN A 62 2.624 11.427 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 62 1.740 11.881 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.167 13.409 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.603 11.914 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.422 12.761 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.712 13.301 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.433 9.918 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.903 9.254 2.470 1.00 0.00 H new ATOM 795 N PRO A 63 0.556 9.449 -0.285 1.00 0.00 N ATOM 796 CA PRO A 63 0.243 8.026 -0.193 1.00 0.00 C ATOM 797 C PRO A 63 1.141 7.135 -1.059 1.00 0.00 C ATOM 798 O PRO A 63 0.912 7.017 -2.230 1.00 0.00 O ATOM 799 CB PRO A 63 -1.182 8.034 -0.746 1.00 0.00 C ATOM 800 CG PRO A 63 -1.252 9.240 -1.682 1.00 0.00 C ATOM 801 CD PRO A 63 0.059 9.979 -1.556 1.00 0.00 C ATOM 0 HA PRO A 63 0.377 7.622 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.400 7.110 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.914 8.118 0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.416 8.920 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.086 9.888 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.734 9.765 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.078 11.060 -1.527 1.00 0.00 H new ATOM 809 N LYS A 64 2.135 6.500 -0.476 1.00 0.00 N ATOM 810 CA LYS A 64 3.121 5.731 -1.270 1.00 0.00 C ATOM 811 C LYS A 64 3.141 4.275 -0.837 1.00 0.00 C ATOM 812 O LYS A 64 2.886 3.975 0.329 1.00 0.00 O ATOM 813 CB LYS A 64 4.572 6.261 -1.046 1.00 0.00 C ATOM 814 CG LYS A 64 4.880 7.723 -1.410 1.00 0.00 C ATOM 815 CD LYS A 64 4.224 8.732 -0.488 1.00 0.00 C ATOM 816 CE LYS A 64 4.719 8.603 0.930 1.00 0.00 C ATOM 817 NZ LYS A 64 4.111 9.558 1.883 1.00 0.00 N ATOM 0 H LYS A 64 2.297 6.489 0.531 1.00 0.00 H new ATOM 0 HA LYS A 64 2.822 5.839 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.818 6.122 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.249 5.627 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.959 7.874 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.551 7.911 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.424 9.740 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.143 8.594 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.524 7.589 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.800 8.741 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.245 9.212 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.566 10.487 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.094 9.647 1.684 1.00 0.00 H new ATOM 831 N LEU A 65 3.484 3.388 -1.757 1.00 0.00 N ATOM 832 CA LEU A 65 3.687 1.986 -1.407 1.00 0.00 C ATOM 833 C LEU A 65 5.117 1.734 -1.254 1.00 0.00 C ATOM 834 O LEU A 65 5.858 1.943 -2.189 1.00 0.00 O ATOM 835 CB LEU A 65 3.240 0.976 -2.482 1.00 0.00 C ATOM 836 CG LEU A 65 1.791 0.738 -2.707 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.031 0.659 -1.394 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.237 1.735 -3.677 1.00 0.00 C ATOM 0 H LEU A 65 3.627 3.607 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 65 3.091 1.842 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.669 1.298 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.694 0.016 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 65 1.658 -0.239 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.026 0.484 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.426 -0.160 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.147 1.596 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.175 1.544 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.372 2.742 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.761 1.646 -4.629 1.00 0.00 H new ATOM 850 N TRP A 66 5.537 1.346 -0.124 1.00 0.00 N ATOM 851 CA TRP A 66 6.845 0.845 -0.042 1.00 0.00 C ATOM 852 C TRP A 66 6.753 -0.641 -0.232 1.00 0.00 C ATOM 853 O TRP A 66 6.215 -1.346 0.614 1.00 0.00 O ATOM 854 CB TRP A 66 7.561 1.169 1.276 1.00 0.00 C ATOM 855 CG TRP A 66 8.793 0.341 1.460 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.997 -0.654 2.370 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.943 0.385 0.659 1.00 0.00 C ATOM 858 NE1 TRP A 66 10.225 -1.211 2.176 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.825 -0.587 1.130 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.313 1.159 -0.406 1.00 0.00 C ATOM 861 CZ2 TRP A 66 12.053 -0.795 0.551 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.516 0.950 -0.978 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.372 -0.006 -0.506 1.00 0.00 C ATOM 0 H TRP A 66 5.007 1.363 0.747 1.00 0.00 H new ATOM 0 HA TRP A 66 7.447 1.327 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.828 2.226 1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.881 0.998 2.110 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.291 -0.955 3.130 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.627 -1.971 2.725 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.652 1.926 -0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.732 -1.550 0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.810 1.550 -1.827 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.329 -0.137 -0.988 1.00 0.00 H new ATOM 874 N ALA A 67 7.228 -1.086 -1.317 1.00 0.00 N ATOM 875 CA ALA A 67 7.224 -2.454 -1.625 1.00 0.00 C ATOM 876 C ALA A 67 8.631 -2.954 -1.625 1.00 0.00 C ATOM 877 O ALA A 67 9.527 -2.310 -2.188 1.00 0.00 O ATOM 878 CB ALA A 67 6.586 -2.677 -2.975 1.00 0.00 C ATOM 0 H ALA A 67 7.643 -0.496 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 67 6.646 -2.999 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.587 -3.742 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.560 -2.310 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.150 -2.140 -3.737 1.00 0.00 H new ATOM 884 N ARG A 68 8.841 -4.057 -0.972 1.00 0.00 N ATOM 885 CA ARG A 68 10.077 -4.714 -0.972 1.00 0.00 C ATOM 886 C ARG A 68 9.722 -6.161 -1.136 1.00 0.00 C ATOM 887 O ARG A 68 9.230 -6.821 -0.225 1.00 0.00 O ATOM 888 CB ARG A 68 10.863 -4.500 0.315 1.00 0.00 C ATOM 889 CG ARG A 68 12.317 -4.909 0.186 1.00 0.00 C ATOM 890 CD ARG A 68 13.163 -3.801 -0.450 1.00 0.00 C ATOM 891 NE ARG A 68 14.487 -4.277 -0.867 1.00 0.00 N ATOM 892 CZ ARG A 68 15.500 -3.486 -1.273 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.444 -2.164 -1.081 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.591 -4.027 -1.806 1.00 0.00 N ATOM 0 H ARG A 68 8.126 -4.523 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 68 10.725 -4.333 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.809 -3.449 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.399 -5.071 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.716 -5.151 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.388 -5.814 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.636 -3.397 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.281 -2.984 0.262 1.00 0.00 H new ATOM 0 HE ARG A 68 14.653 -5.283 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.632 -1.749 -0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.214 -1.571 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.661 -5.040 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.358 -3.430 -2.114 1.00 0.00 H new ATOM 908 N TYR A 69 9.828 -6.588 -2.309 1.00 0.00 N ATOM 909 CA TYR A 69 9.465 -7.952 -2.673 1.00 0.00 C ATOM 910 C TYR A 69 10.708 -8.853 -2.501 1.00 0.00 C ATOM 911 O TYR A 69 11.831 -8.363 -2.575 1.00 0.00 O ATOM 912 CB TYR A 69 9.111 -8.032 -4.171 1.00 0.00 C ATOM 913 CG TYR A 69 8.530 -6.789 -4.817 1.00 0.00 C ATOM 914 CD1 TYR A 69 7.208 -6.450 -4.685 1.00 0.00 C ATOM 915 CD2 TYR A 69 9.333 -5.962 -5.583 1.00 0.00 C ATOM 916 CE1 TYR A 69 6.708 -5.331 -5.282 1.00 0.00 C ATOM 917 CE2 TYR A 69 8.833 -4.834 -6.191 1.00 0.00 C ATOM 918 CZ TYR A 69 7.515 -4.522 -6.036 1.00 0.00 C ATOM 919 OH TYR A 69 6.990 -3.404 -6.646 1.00 0.00 O ATOM 0 H TYR A 69 10.170 -6.025 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 69 8.625 -8.259 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.014 -8.305 -4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.399 -8.846 -4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.553 -7.079 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.377 -6.208 -5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.665 -5.080 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.477 -4.203 -6.785 1.00 0.00 H new ATOM 0 HH TYR A 69 7.696 -2.940 -7.142 1.00 0.00 H new ATOM 929 N ALA A 70 10.510 -10.162 -2.340 1.00 0.00 N ATOM 930 CA ALA A 70 11.617 -11.150 -2.333 1.00 0.00 C ATOM 931 C ALA A 70 12.092 -11.439 -3.738 1.00 0.00 C ATOM 932 O ALA A 70 12.938 -12.305 -3.959 1.00 0.00 O ATOM 933 CB ALA A 70 11.217 -12.429 -1.644 1.00 0.00 C ATOM 0 H ALA A 70 9.587 -10.577 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 70 12.439 -10.709 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.054 -13.127 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.941 -12.215 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.366 -12.871 -2.162 1.00 0.00 H new ATOM 939 N PHE A 71 11.539 -10.722 -4.698 1.00 0.00 N ATOM 940 CA PHE A 71 12.130 -10.683 -6.019 1.00 0.00 C ATOM 941 C PHE A 71 13.445 -9.917 -5.863 1.00 0.00 C ATOM 942 O PHE A 71 14.340 -9.985 -6.698 1.00 0.00 O ATOM 943 CB PHE A 71 11.224 -9.949 -7.018 1.00 0.00 C ATOM 944 CG PHE A 71 9.839 -10.523 -7.155 1.00 0.00 C ATOM 945 CD1 PHE A 71 9.649 -11.858 -7.443 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.728 -9.720 -6.987 1.00 0.00 C ATOM 947 CE1 PHE A 71 8.378 -12.378 -7.561 1.00 0.00 C ATOM 948 CE2 PHE A 71 7.455 -10.233 -7.103 1.00 0.00 C ATOM 949 CZ PHE A 71 7.280 -11.564 -7.391 1.00 0.00 C ATOM 0 H PHE A 71 10.691 -10.165 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 71 12.277 -11.692 -6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.141 -8.906 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.704 -9.958 -7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.505 -12.503 -7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.860 -8.672 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.243 -13.425 -7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.597 -9.591 -6.968 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.284 -11.972 -7.484 1.00 0.00 H new ATOM 959 N GLY A 72 13.523 -9.197 -4.735 1.00 0.00 N ATOM 960 CA GLY A 72 14.666 -8.454 -4.359 1.00 0.00 C ATOM 961 C GLY A 72 14.662 -7.123 -5.028 1.00 0.00 C ATOM 962 O GLY A 72 15.704 -6.536 -5.316 1.00 0.00 O ATOM 0 H GLY A 72 12.758 -9.134 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.684 -8.324 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.569 -9.002 -4.629 1.00 0.00 H new ATOM 966 N GLN A 73 13.465 -6.653 -5.270 1.00 0.00 N ATOM 967 CA GLN A 73 13.213 -5.386 -5.888 1.00 0.00 C ATOM 968 C GLN A 73 12.417 -4.552 -4.922 1.00 0.00 C ATOM 969 O GLN A 73 11.804 -5.100 -3.958 1.00 0.00 O ATOM 970 CB GLN A 73 12.410 -5.556 -7.173 1.00 0.00 C ATOM 971 CG GLN A 73 13.093 -6.355 -8.254 1.00 0.00 C ATOM 972 CD GLN A 73 12.261 -6.444 -9.519 1.00 0.00 C ATOM 973 OE1 GLN A 73 12.335 -7.423 -10.251 1.00 0.00 O ATOM 974 NE2 GLN A 73 11.476 -5.437 -9.797 1.00 0.00 N ATOM 0 H GLN A 73 12.614 -7.162 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 73 14.161 -4.910 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.463 -6.038 -6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.173 -4.568 -7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.055 -5.899 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.297 -7.360 -7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.434 -4.634 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.905 -5.454 -10.642 1.00 0.00 H new ATOM 983 N GLU A 74 12.373 -3.283 -5.157 1.00 0.00 N ATOM 984 CA GLU A 74 11.685 -2.401 -4.280 1.00 0.00 C ATOM 985 C GLU A 74 11.025 -1.287 -5.055 1.00 0.00 C ATOM 986 O GLU A 74 11.227 -1.159 -6.262 1.00 0.00 O ATOM 987 CB GLU A 74 12.645 -1.798 -3.251 1.00 0.00 C ATOM 988 CG GLU A 74 13.644 -0.769 -3.790 1.00 0.00 C ATOM 989 CD GLU A 74 14.685 -1.337 -4.727 1.00 0.00 C ATOM 990 OE1 GLU A 74 15.734 -1.802 -4.252 1.00 0.00 O ATOM 991 OE2 GLU A 74 14.484 -1.311 -5.950 1.00 0.00 O ATOM 0 H GLU A 74 12.812 -2.831 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 74 10.922 -2.981 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.055 -1.326 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.204 -2.609 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.094 0.015 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.150 -0.297 -2.948 1.00 0.00 H new ATOM 998 N THR A 75 10.232 -0.520 -4.368 1.00 0.00 N ATOM 999 CA THR A 75 9.630 0.655 -4.907 1.00 0.00 C ATOM 1000 C THR A 75 8.948 1.374 -3.753 1.00 0.00 C ATOM 1001 O THR A 75 8.481 0.741 -2.823 1.00 0.00 O ATOM 1002 CB THR A 75 8.619 0.336 -6.078 1.00 0.00 C ATOM 1003 OG1 THR A 75 8.248 1.540 -6.785 1.00 0.00 O ATOM 1004 CG2 THR A 75 7.355 -0.349 -5.570 1.00 0.00 C ATOM 0 H THR A 75 9.982 -0.701 -3.396 1.00 0.00 H new ATOM 0 HA THR A 75 10.393 1.288 -5.360 1.00 0.00 H new ATOM 0 HB THR A 75 9.136 -0.343 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.623 1.317 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.688 -0.550 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.620 -1.288 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.852 0.301 -4.854 1.00 0.00 H new ATOM 1012 N ASN A 76 8.977 2.657 -3.776 1.00 0.00 N ATOM 1013 CA ASN A 76 8.363 3.487 -2.764 1.00 0.00 C ATOM 1014 C ASN A 76 7.498 4.502 -3.469 1.00 0.00 C ATOM 1015 O ASN A 76 7.968 5.553 -3.892 1.00 0.00 O ATOM 1016 CB ASN A 76 9.425 4.110 -1.797 1.00 0.00 C ATOM 1017 CG ASN A 76 10.759 4.512 -2.462 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.902 5.614 -2.984 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.770 3.625 -2.405 1.00 0.00 N ATOM 0 H ASN A 76 9.438 3.189 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 76 7.729 2.893 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.991 4.992 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.634 3.394 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.680 3.862 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.626 2.716 -1.966 1.00 0.00 H new ATOM 1026 N VAL A 77 6.218 4.162 -3.654 1.00 0.00 N ATOM 1027 CA VAL A 77 5.435 4.933 -4.640 1.00 0.00 C ATOM 1028 C VAL A 77 3.965 5.252 -4.432 1.00 0.00 C ATOM 1029 O VAL A 77 3.143 4.393 -4.175 1.00 0.00 O ATOM 1030 CB VAL A 77 5.654 4.351 -5.994 1.00 0.00 C ATOM 1031 CG1 VAL A 77 5.317 2.858 -6.049 1.00 0.00 C ATOM 1032 CG2 VAL A 77 5.046 5.132 -7.144 1.00 0.00 C ATOM 0 H VAL A 77 5.723 3.411 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 77 5.848 5.931 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 77 6.728 4.448 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.493 2.482 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.948 2.316 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.270 2.711 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.263 4.624 -8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.967 5.199 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.471 6.135 -7.167 1.00 0.00 H new ATOM 1042 N PRO A 78 3.671 6.552 -4.600 1.00 0.00 N ATOM 1043 CA PRO A 78 2.350 7.139 -4.598 1.00 0.00 C ATOM 1044 C PRO A 78 1.329 6.376 -5.407 1.00 0.00 C ATOM 1045 O PRO A 78 1.458 6.183 -6.619 1.00 0.00 O ATOM 1046 CB PRO A 78 2.579 8.533 -5.168 1.00 0.00 C ATOM 1047 CG PRO A 78 3.943 8.859 -4.710 1.00 0.00 C ATOM 1048 CD PRO A 78 4.693 7.563 -4.778 1.00 0.00 C ATOM 0 HA PRO A 78 1.923 7.135 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.506 8.541 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.846 9.248 -4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.403 9.615 -5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.934 9.258 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.205 7.448 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.454 7.502 -4.000 1.00 0.00 H new ATOM 1056 N LEU A 79 0.336 5.955 -4.700 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.807 5.232 -5.197 1.00 0.00 C ATOM 1058 C LEU A 79 -1.979 6.201 -5.264 1.00 0.00 C ATOM 1059 O LEU A 79 -3.157 5.820 -5.304 1.00 0.00 O ATOM 1060 CB LEU A 79 -1.064 4.055 -4.228 1.00 0.00 C ATOM 1061 CG LEU A 79 -1.141 4.342 -2.689 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.232 5.285 -2.326 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -1.334 3.062 -1.916 1.00 0.00 C ATOM 0 H LEU A 79 0.289 6.112 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.653 4.826 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.002 3.585 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.275 3.320 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.191 4.807 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.233 5.443 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.073 6.237 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.191 4.867 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.385 3.285 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.261 2.583 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.496 2.392 -2.107 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.589 7.458 -5.336 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.419 8.643 -5.197 1.00 0.00 C ATOM 1077 C ASN A 80 -3.681 8.653 -6.055 1.00 0.00 C ATOM 1078 O ASN A 80 -4.706 9.228 -5.668 1.00 0.00 O ATOM 1079 CB ASN A 80 -1.546 9.896 -5.437 1.00 0.00 C ATOM 1080 CG ASN A 80 -2.265 11.241 -5.322 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -1.946 12.177 -6.056 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.162 11.382 -4.383 1.00 0.00 N ATOM 0 H ASN A 80 -0.612 7.698 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.806 8.641 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.722 9.884 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.107 9.824 -6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.617 12.284 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.407 10.590 -3.789 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.647 7.973 -7.123 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.731 8.057 -8.081 1.00 0.00 C ATOM 1091 C ASN A 81 -5.846 7.010 -7.864 1.00 0.00 C ATOM 1092 O ASN A 81 -6.966 7.188 -8.356 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.170 7.962 -9.492 1.00 0.00 C ATOM 1094 CG ASN A 81 -5.132 8.475 -10.523 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -5.925 7.734 -11.108 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -5.077 9.751 -10.738 1.00 0.00 N ATOM 0 H ASN A 81 -2.890 7.341 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.210 9.024 -7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.241 8.530 -9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.923 6.924 -9.713 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.707 10.182 -11.415 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.404 10.325 -10.230 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.583 5.973 -7.098 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.535 4.885 -6.968 1.00 0.00 C ATOM 1105 C PHE A 82 -7.476 5.061 -5.783 1.00 0.00 C ATOM 1106 O PHE A 82 -7.418 6.048 -5.032 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.814 3.539 -6.853 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.865 3.221 -7.966 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.313 2.617 -9.124 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.516 3.517 -7.845 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.439 2.314 -10.143 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.636 3.215 -8.859 1.00 0.00 C ATOM 1113 CZ PHE A 82 -3.098 2.615 -10.008 1.00 0.00 C ATOM 0 H PHE A 82 -4.725 5.858 -6.558 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.140 4.902 -7.875 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.263 3.520 -5.912 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.563 2.749 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.361 2.380 -9.231 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.152 3.990 -6.945 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.801 1.843 -11.045 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.587 3.448 -8.753 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.410 2.379 -10.806 1.00 0.00 H new ATOM 1123 N SER A 83 -8.316 4.084 -5.649 1.00 0.00 N ATOM 1124 CA SER A 83 -9.344 3.990 -4.641 1.00 0.00 C ATOM 1125 C SER A 83 -9.085 2.752 -3.754 1.00 0.00 C ATOM 1126 O SER A 83 -8.211 1.975 -4.073 1.00 0.00 O ATOM 1127 CB SER A 83 -10.672 3.864 -5.358 1.00 0.00 C ATOM 1128 OG SER A 83 -10.931 5.004 -6.166 1.00 0.00 O ATOM 0 H SER A 83 -8.308 3.278 -6.274 1.00 0.00 H new ATOM 0 HA SER A 83 -9.348 4.871 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.669 2.968 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.472 3.743 -4.628 1.00 0.00 H new ATOM 0 HG SER A 83 -11.793 4.895 -6.618 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.880 2.570 -2.688 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.703 1.493 -1.669 1.00 0.00 C ATOM 1136 C ALA A 84 -9.438 0.075 -2.260 1.00 0.00 C ATOM 1137 O ALA A 84 -8.343 -0.551 -2.084 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.955 1.417 -0.821 1.00 0.00 C ATOM 0 H ALA A 84 -10.681 3.171 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.817 1.766 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.840 0.634 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.117 2.374 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.811 1.189 -1.456 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.416 -0.437 -2.969 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.333 -1.795 -3.489 1.00 0.00 C ATOM 1146 C ASP A 85 -9.369 -1.862 -4.640 1.00 0.00 C ATOM 1147 O ASP A 85 -8.700 -2.885 -4.850 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.705 -2.357 -3.866 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.655 -2.400 -2.688 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -12.416 -3.154 -1.730 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.638 -1.632 -2.679 1.00 0.00 O ATOM 0 H ASP A 85 -11.277 0.057 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.952 -2.430 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.140 -1.747 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.584 -3.363 -4.269 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.258 -0.755 -5.352 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.308 -0.639 -6.433 1.00 0.00 C ATOM 1158 C GLN A 86 -6.896 -0.709 -5.932 1.00 0.00 C ATOM 1159 O GLN A 86 -6.153 -1.525 -6.412 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.549 0.606 -7.288 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.798 0.509 -8.143 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.721 -0.632 -9.150 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -10.730 -1.238 -9.505 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.538 -0.914 -9.637 1.00 0.00 N ATOM 0 H GLN A 86 -9.821 0.081 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.465 -1.497 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.629 1.477 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.686 0.769 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.666 0.365 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.947 1.450 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.720 -0.393 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.435 -1.655 -10.331 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.538 0.107 -4.937 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.193 0.051 -4.383 1.00 0.00 C ATOM 1175 C VAL A 87 -4.887 -1.336 -3.871 1.00 0.00 C ATOM 1176 O VAL A 87 -3.879 -1.886 -4.197 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.862 1.132 -3.275 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.777 2.515 -3.849 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.865 1.131 -2.163 1.00 0.00 C ATOM 0 H VAL A 87 -7.151 0.800 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.542 0.302 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.889 0.850 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.548 3.225 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.991 2.548 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.730 2.778 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.594 1.889 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.854 1.352 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.878 0.151 -1.685 1.00 0.00 H new ATOM 1189 N THR A 88 -5.812 -1.937 -3.158 1.00 0.00 N ATOM 1190 CA THR A 88 -5.540 -3.248 -2.593 1.00 0.00 C ATOM 1191 C THR A 88 -5.321 -4.364 -3.630 1.00 0.00 C ATOM 1192 O THR A 88 -4.282 -5.093 -3.624 1.00 0.00 O ATOM 1193 CB THR A 88 -6.592 -3.622 -1.552 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.910 -3.452 -2.099 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.447 -2.716 -0.379 1.00 0.00 C ATOM 0 H THR A 88 -6.736 -1.556 -2.957 1.00 0.00 H new ATOM 0 HA THR A 88 -4.576 -3.159 -2.093 1.00 0.00 H new ATOM 0 HB THR A 88 -6.452 -4.662 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.844 -3.254 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.193 -2.972 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.450 -2.828 0.046 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.592 -1.683 -0.697 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.221 -4.458 -4.523 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.198 -5.537 -5.487 1.00 0.00 C ATOM 1205 C ARG A 89 -5.180 -5.261 -6.578 1.00 0.00 C ATOM 1206 O ARG A 89 -4.490 -6.179 -7.000 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.584 -5.779 -6.077 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.738 -7.100 -6.803 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.540 -8.257 -5.846 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.823 -9.556 -6.457 1.00 0.00 N ATOM 1211 CZ ARG A 89 -7.630 -10.736 -5.850 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -7.118 -10.785 -4.626 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -7.945 -11.861 -6.465 1.00 0.00 N ATOM 0 H ARG A 89 -6.999 -3.807 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.898 -6.447 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.320 -5.733 -5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.816 -4.970 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.728 -7.160 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.012 -7.163 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.513 -8.249 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.187 -8.120 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.192 -9.565 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.869 -9.922 -4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.973 -11.686 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.337 -11.835 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.796 -12.756 -5.999 1.00 0.00 H new ATOM 1227 N ALA A 90 -5.068 -4.004 -7.021 1.00 0.00 N ATOM 1228 CA ALA A 90 -4.046 -3.664 -8.008 1.00 0.00 C ATOM 1229 C ALA A 90 -2.680 -3.854 -7.401 1.00 0.00 C ATOM 1230 O ALA A 90 -1.774 -4.251 -8.102 1.00 0.00 O ATOM 1231 CB ALA A 90 -4.207 -2.257 -8.566 1.00 0.00 C ATOM 0 H ALA A 90 -5.656 -3.227 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.167 -4.338 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.419 -2.062 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.179 -2.167 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.138 -1.533 -7.754 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.541 -3.591 -6.066 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.291 -3.907 -5.351 1.00 0.00 C ATOM 1239 C LEU A 91 -0.975 -5.330 -5.550 1.00 0.00 C ATOM 1240 O LEU A 91 0.083 -5.678 -6.024 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.367 -3.680 -3.820 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.645 -2.448 -3.256 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -0.998 -1.178 -4.015 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -0.968 -2.302 -1.778 1.00 0.00 C ATOM 0 H LEU A 91 -3.268 -3.171 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.535 -3.235 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.418 -3.613 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.962 -4.564 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 91 0.427 -2.599 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.463 -0.334 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.712 -1.288 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.071 -1.001 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.455 -1.427 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.044 -2.182 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.637 -3.192 -1.244 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.913 -6.165 -5.231 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.649 -7.576 -5.304 1.00 0.00 C ATOM 1258 C GLU A 92 -1.391 -8.017 -6.733 1.00 0.00 C ATOM 1259 O GLU A 92 -0.476 -8.821 -6.972 1.00 0.00 O ATOM 1260 CB GLU A 92 -2.749 -8.367 -4.682 1.00 0.00 C ATOM 1261 CG GLU A 92 -2.337 -9.785 -4.370 1.00 0.00 C ATOM 1262 CD GLU A 92 -3.479 -10.653 -3.979 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -3.941 -10.557 -2.855 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -3.895 -11.496 -4.789 1.00 0.00 O ATOM 0 H GLU A 92 -2.851 -5.907 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.742 -7.770 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.071 -7.875 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.607 -8.381 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.845 -10.214 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.604 -9.775 -3.563 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.174 -7.497 -7.648 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.981 -7.730 -9.063 1.00 0.00 C ATOM 1273 C ASN A 93 -0.542 -7.429 -9.423 1.00 0.00 C ATOM 1274 O ASN A 93 0.263 -8.365 -9.717 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.934 -6.838 -9.883 1.00 0.00 C ATOM 1276 CG ASN A 93 -4.273 -7.476 -10.230 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -4.853 -7.168 -11.270 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.780 -8.351 -9.397 1.00 0.00 N ATOM 0 H ASN A 93 -2.969 -6.896 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.202 -8.772 -9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.119 -5.921 -9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.434 -6.552 -10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.675 -8.794 -9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.279 -8.590 -8.541 1.00 0.00 H new ATOM 1285 N VAL A 94 -0.177 -6.158 -9.256 1.00 0.00 N ATOM 1286 CA VAL A 94 1.129 -5.697 -9.600 1.00 0.00 C ATOM 1287 C VAL A 94 2.223 -6.444 -8.951 1.00 0.00 C ATOM 1288 O VAL A 94 3.067 -6.981 -9.628 1.00 0.00 O ATOM 1289 CB VAL A 94 1.392 -4.174 -9.423 1.00 0.00 C ATOM 1290 CG1 VAL A 94 0.599 -3.344 -10.405 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.188 -3.656 -7.997 1.00 0.00 C ATOM 0 H VAL A 94 -0.791 -5.436 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 94 1.135 -5.899 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 94 2.454 -4.057 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.814 -2.287 -10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.876 -3.621 -11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.466 -3.524 -10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.393 -2.586 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.159 -3.838 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.867 -4.175 -7.321 1.00 0.00 H new ATOM 1301 N LEU A 95 2.189 -6.564 -7.691 1.00 0.00 N ATOM 1302 CA LEU A 95 3.381 -7.009 -7.058 1.00 0.00 C ATOM 1303 C LEU A 95 3.428 -8.429 -6.667 1.00 0.00 C ATOM 1304 O LEU A 95 4.499 -9.006 -6.581 1.00 0.00 O ATOM 1305 CB LEU A 95 3.799 -6.066 -5.972 1.00 0.00 C ATOM 1306 CG LEU A 95 2.734 -5.666 -4.948 1.00 0.00 C ATOM 1307 CD1 LEU A 95 2.312 -6.794 -4.025 1.00 0.00 C ATOM 1308 CD2 LEU A 95 3.123 -4.414 -4.200 1.00 0.00 C ATOM 0 H LEU A 95 1.391 -6.373 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 95 4.139 -6.979 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.633 -6.518 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.177 -5.157 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 95 1.839 -5.434 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.555 -6.431 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.899 -7.612 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.178 -7.150 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.342 -4.162 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.061 -4.583 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.247 -3.592 -4.905 1.00 0.00 H new ATOM 1320 N SER A 96 2.324 -8.998 -6.418 1.00 0.00 N ATOM 1321 CA SER A 96 2.355 -10.358 -6.080 1.00 0.00 C ATOM 1322 C SER A 96 2.375 -11.170 -7.374 1.00 0.00 C ATOM 1323 O SER A 96 2.765 -12.336 -7.374 1.00 0.00 O ATOM 1324 CB SER A 96 1.162 -10.738 -5.203 1.00 0.00 C ATOM 1325 OG SER A 96 1.143 -9.978 -3.987 1.00 0.00 O ATOM 0 H SER A 96 1.404 -8.558 -6.440 1.00 0.00 H new ATOM 0 HA SER A 96 3.250 -10.574 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.236 -10.570 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.205 -11.802 -4.968 1.00 0.00 H new ATOM 0 HG SER A 96 1.575 -10.492 -3.273 1.00 0.00 H new ATOM 1331 N GLY A 97 1.946 -10.550 -8.499 1.00 0.00 N ATOM 1332 CA GLY A 97 1.969 -11.285 -9.714 1.00 0.00 C ATOM 1333 C GLY A 97 2.921 -10.758 -10.775 1.00 0.00 C ATOM 1334 O GLY A 97 3.688 -11.535 -11.351 1.00 0.00 O ATOM 0 H GLY A 97 1.603 -9.591 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.237 -12.317 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.961 -11.300 -10.129 1.00 0.00 H new ATOM 1338 N LYS A 98 2.926 -9.456 -11.030 1.00 0.00 N ATOM 1339 CA LYS A 98 3.574 -9.008 -12.264 1.00 0.00 C ATOM 1340 C LYS A 98 4.962 -8.454 -12.169 1.00 0.00 C ATOM 1341 O LYS A 98 5.825 -8.789 -12.976 1.00 0.00 O ATOM 1342 CB LYS A 98 2.649 -8.237 -13.196 1.00 0.00 C ATOM 1343 CG LYS A 98 1.884 -7.061 -12.620 1.00 0.00 C ATOM 1344 CD LYS A 98 2.632 -5.743 -12.787 1.00 0.00 C ATOM 1345 CE LYS A 98 2.770 -5.361 -14.261 1.00 0.00 C ATOM 1346 NZ LYS A 98 1.454 -5.294 -14.958 1.00 0.00 N ATOM 0 H LYS A 98 2.518 -8.728 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 98 3.780 -9.959 -12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.245 -7.871 -14.032 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.924 -8.940 -13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.912 -6.989 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.696 -7.237 -11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.104 -4.953 -12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.621 -5.825 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.268 -4.394 -14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.407 -6.089 -14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.569 -4.810 -15.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.097 -6.257 -15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.776 -4.768 -14.370 1.00 0.00 H new ATOM 1360 N ALA A 99 5.123 -7.605 -11.229 1.00 0.00 N ATOM 1361 CA ALA A 99 6.358 -6.879 -10.923 1.00 0.00 C ATOM 1362 C ALA A 99 7.589 -7.773 -10.985 1.00 0.00 C ATOM 1363 O ALA A 99 8.429 -7.578 -11.897 1.00 0.00 O ATOM 1364 CB ALA A 99 6.243 -6.201 -9.564 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.698 -8.709 -10.187 1.00 0.00 O ATOM 0 H ALA A 99 4.364 -7.361 -10.593 1.00 0.00 H new ATOM 0 HA ALA A 99 6.490 -6.117 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.166 -5.664 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.409 -5.499 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.071 -6.954 -8.795 1.00 0.00 H new TER 1371 ALA A 99