USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 711 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 Single : A 3 GLN :FLIP amide:sc= 1.37 F(o=-0.35,f=1.4) USER MOD Single : A 5 ASN : amide:sc= -0.0835 X(o=-0.084,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= -0.0912 (180deg=-0.781) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0482 (180deg=-0.317) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc=-0.000242 (180deg=-0.0662) USER MOD Single : A 14 HIS : no HE2:sc= -0.684 K(o=-0.68,f=-3) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0285 (180deg=-0.429) USER MOD Single : A 18 THR OG1 : rot 142:sc= 0.982 USER MOD Single : A 22 HIS : no HD1:sc= -0.856 K(o=-0.86,f=-2) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0335 (180deg=-0.779) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -0.0551 (180deg=-0.835) USER MOD Single : A 30 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.8!) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0463) USER MOD Single : A 36 ASN : amide:sc= -3.42! C(o=-3.4!,f=-3.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -5.14! C(o=-14!,f=-5.1!) USER MOD Single : A 45 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.6!) USER MOD Single : A 50 ASN : amide:sc=-0.000339 X(o=-0.00034,f=-0.15) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.9!) USER MOD Single : A 55 ASN : amide:sc= -1.89! C(o=-1.9!,f=-6.6!) USER MOD Single : A 56 SER OG : rot 80:sc= 0.722 USER MOD Single : A 60 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0972) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.686 F(o=-1.4,f=-0.69) USER MOD Single : A 76 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.7!) USER MOD Single : A 78 GLN : amide:sc= -0.534! C(o=-0.53!,f=-6.3!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc=-0.00647 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -11.049 12.447 -5.962 1.00 0.00 N ATOM 19 CA GLU A 2 -11.436 11.173 -5.369 1.00 0.00 C ATOM 20 C GLU A 2 -10.305 10.161 -5.485 1.00 0.00 C ATOM 21 O GLU A 2 -10.356 9.089 -4.891 1.00 0.00 O ATOM 22 CB GLU A 2 -12.675 10.628 -6.076 1.00 0.00 C ATOM 23 CG GLU A 2 -12.484 10.727 -7.591 1.00 0.00 C ATOM 24 CD GLU A 2 -13.614 9.994 -8.306 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.365 10.648 -9.011 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.712 8.790 -8.138 1.00 0.00 O ATOM 0 HA GLU A 2 -11.656 11.338 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.845 9.591 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.557 11.192 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.467 11.773 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.523 10.297 -7.874 1.00 0.00 H new ATOM 33 N GLN A 3 -9.293 10.513 -6.265 1.00 0.00 N ATOM 34 CA GLN A 3 -8.147 9.636 -6.473 1.00 0.00 C ATOM 35 C GLN A 3 -7.668 9.033 -5.161 1.00 0.00 C ATOM 36 O GLN A 3 -7.982 7.885 -4.845 1.00 0.00 O ATOM 37 CB GLN A 3 -7.008 10.430 -7.119 1.00 0.00 C ATOM 38 CG GLN A 3 -5.863 9.483 -7.483 1.00 0.00 C ATOM 39 CD GLN A 3 -4.863 10.198 -8.388 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.289 10.816 -9.456 1.00 0.00 O flip ATOM 41 NE2 GLN A 3 -3.664 10.193 -8.113 1.00 0.00 N flip ATOM 0 H GLN A 3 -9.241 11.400 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.454 8.822 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.368 10.941 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.653 11.199 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.364 9.137 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.256 8.600 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.334 9.709 -7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.999 10.673 -8.720 1.00 0.00 H new ATOM 50 N PHE A 4 -6.911 9.810 -4.397 1.00 0.00 N ATOM 51 CA PHE A 4 -6.401 9.331 -3.116 1.00 0.00 C ATOM 52 C PHE A 4 -7.504 8.597 -2.366 1.00 0.00 C ATOM 53 O PHE A 4 -7.289 7.504 -1.848 1.00 0.00 O ATOM 54 CB PHE A 4 -5.864 10.498 -2.268 1.00 0.00 C ATOM 55 CG PHE A 4 -6.248 11.818 -2.898 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.606 12.250 -4.064 1.00 0.00 C ATOM 57 CD2 PHE A 4 -7.243 12.611 -2.312 1.00 0.00 C ATOM 58 CE1 PHE A 4 -5.958 13.475 -4.645 1.00 0.00 C ATOM 59 CE2 PHE A 4 -7.595 13.834 -2.893 1.00 0.00 C ATOM 60 CZ PHE A 4 -6.953 14.266 -4.060 1.00 0.00 C ATOM 0 H PHE A 4 -6.638 10.763 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.576 8.644 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.266 10.438 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.779 10.428 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.839 11.639 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.738 12.278 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.462 13.809 -5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.362 14.445 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.226 15.210 -4.509 1.00 0.00 H new ATOM 70 N ASN A 5 -8.684 9.194 -2.318 1.00 0.00 N ATOM 71 CA ASN A 5 -9.804 8.566 -1.634 1.00 0.00 C ATOM 72 C ASN A 5 -10.100 7.197 -2.251 1.00 0.00 C ATOM 73 O ASN A 5 -10.554 6.281 -1.565 1.00 0.00 O ATOM 74 CB ASN A 5 -11.045 9.460 -1.732 1.00 0.00 C ATOM 75 CG ASN A 5 -11.997 9.167 -0.577 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.125 8.723 -0.798 1.00 0.00 O ATOM 77 ND2 ASN A 5 -11.609 9.392 0.648 1.00 0.00 N ATOM 0 H ASN A 5 -8.890 10.100 -2.738 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.543 8.431 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.749 10.509 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.551 9.290 -2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.240 9.200 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.675 9.760 0.828 1.00 0.00 H new ATOM 84 N ALA A 6 -9.855 7.077 -3.554 1.00 0.00 N ATOM 85 CA ALA A 6 -10.114 5.827 -4.262 1.00 0.00 C ATOM 86 C ALA A 6 -9.127 4.734 -3.848 1.00 0.00 C ATOM 87 O ALA A 6 -9.531 3.648 -3.425 1.00 0.00 O ATOM 88 CB ALA A 6 -10.024 6.057 -5.771 1.00 0.00 C ATOM 0 H ALA A 6 -9.480 7.825 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.118 5.494 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.218 5.121 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.763 6.800 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.026 6.415 -6.026 1.00 0.00 H new ATOM 94 N PHE A 7 -7.835 5.024 -3.965 1.00 0.00 N ATOM 95 CA PHE A 7 -6.816 4.047 -3.597 1.00 0.00 C ATOM 96 C PHE A 7 -6.831 3.811 -2.086 1.00 0.00 C ATOM 97 O PHE A 7 -6.742 2.673 -1.626 1.00 0.00 O ATOM 98 CB PHE A 7 -5.427 4.528 -4.059 1.00 0.00 C ATOM 99 CG PHE A 7 -4.434 4.438 -2.923 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.948 3.190 -2.517 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.003 5.602 -2.275 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.029 3.104 -1.464 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.084 5.516 -1.221 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.597 4.268 -0.816 1.00 0.00 C ATOM 0 H PHE A 7 -7.472 5.914 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.036 3.103 -4.094 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.086 3.922 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.491 5.557 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.282 2.292 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.379 6.565 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.654 2.141 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.751 6.413 -0.721 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.888 4.203 -0.004 1.00 0.00 H new ATOM 114 N LYS A 8 -6.941 4.893 -1.323 1.00 0.00 N ATOM 115 CA LYS A 8 -6.963 4.794 0.132 1.00 0.00 C ATOM 116 C LYS A 8 -8.141 3.951 0.610 1.00 0.00 C ATOM 117 O LYS A 8 -7.963 2.968 1.337 1.00 0.00 O ATOM 118 CB LYS A 8 -7.055 6.193 0.748 1.00 0.00 C ATOM 119 CG LYS A 8 -6.601 6.135 2.212 1.00 0.00 C ATOM 120 CD LYS A 8 -6.520 7.556 2.789 1.00 0.00 C ATOM 121 CE LYS A 8 -7.901 7.989 3.290 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.286 7.157 4.464 1.00 0.00 N ATOM 0 H LYS A 8 -7.016 5.844 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.040 4.310 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.431 6.890 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.079 6.563 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.300 5.535 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.628 5.649 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.800 7.586 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.165 8.249 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.885 9.043 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.639 7.879 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.899 7.711 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.797 6.312 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.431 6.867 4.979 1.00 0.00 H new ATOM 136 N SER A 9 -9.353 4.327 0.212 1.00 0.00 N ATOM 137 CA SER A 9 -10.513 3.565 0.640 1.00 0.00 C ATOM 138 C SER A 9 -10.314 2.112 0.238 1.00 0.00 C ATOM 139 O SER A 9 -10.826 1.197 0.884 1.00 0.00 O ATOM 140 CB SER A 9 -11.795 4.123 0.022 1.00 0.00 C ATOM 141 OG SER A 9 -12.900 3.326 0.430 1.00 0.00 O ATOM 0 H SER A 9 -9.551 5.129 -0.387 1.00 0.00 H new ATOM 0 HA SER A 9 -10.615 3.639 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.943 5.157 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.716 4.127 -1.065 1.00 0.00 H new ATOM 0 HG SER A 9 -13.724 3.683 0.036 1.00 0.00 H new ATOM 147 N LEU A 10 -9.535 1.913 -0.823 1.00 0.00 N ATOM 148 CA LEU A 10 -9.238 0.569 -1.295 1.00 0.00 C ATOM 149 C LEU A 10 -8.536 -0.211 -0.185 1.00 0.00 C ATOM 150 O LEU A 10 -8.801 -1.396 0.019 1.00 0.00 O ATOM 151 CB LEU A 10 -8.336 0.637 -2.538 1.00 0.00 C ATOM 152 CG LEU A 10 -8.734 -0.445 -3.551 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.688 -0.500 -4.671 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.806 -1.811 -2.856 1.00 0.00 C ATOM 0 H LEU A 10 -9.103 2.660 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.167 0.065 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.415 1.622 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.294 0.505 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.711 -0.203 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.968 -1.268 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.639 0.467 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.713 -0.739 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.089 -2.574 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.832 -2.056 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.549 -1.775 -2.059 1.00 0.00 H new ATOM 166 N LEU A 11 -7.646 0.473 0.536 1.00 0.00 N ATOM 167 CA LEU A 11 -6.918 -0.161 1.631 1.00 0.00 C ATOM 168 C LEU A 11 -7.895 -0.615 2.706 1.00 0.00 C ATOM 169 O LEU A 11 -7.798 -1.734 3.203 1.00 0.00 O ATOM 170 CB LEU A 11 -5.898 0.811 2.242 1.00 0.00 C ATOM 171 CG LEU A 11 -4.605 0.812 1.415 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.906 2.171 1.555 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.673 -0.295 1.924 1.00 0.00 C ATOM 0 H LEU A 11 -7.415 1.455 0.383 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.383 -1.024 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.318 1.816 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.680 0.522 3.270 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.845 0.634 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.988 2.170 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.567 2.959 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.666 2.350 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.754 -0.295 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.434 -0.116 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.167 -1.261 1.824 1.00 0.00 H new ATOM 185 N LYS A 12 -8.845 0.250 3.053 1.00 0.00 N ATOM 186 CA LYS A 12 -9.841 -0.103 4.068 1.00 0.00 C ATOM 187 C LYS A 12 -10.208 -1.584 3.941 1.00 0.00 C ATOM 188 O LYS A 12 -10.002 -2.368 4.867 1.00 0.00 O ATOM 189 CB LYS A 12 -11.094 0.769 3.896 1.00 0.00 C ATOM 190 CG LYS A 12 -11.577 1.266 5.264 1.00 0.00 C ATOM 191 CD LYS A 12 -12.846 2.113 5.090 1.00 0.00 C ATOM 192 CE LYS A 12 -14.081 1.209 5.136 1.00 0.00 C ATOM 193 NZ LYS A 12 -14.316 0.763 6.539 1.00 0.00 N ATOM 0 H LYS A 12 -8.948 1.184 2.657 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.422 0.074 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.871 1.618 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.883 0.195 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.781 0.418 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.797 1.857 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.904 2.864 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.810 2.648 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.953 1.746 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.937 0.345 4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.314 0.496 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.711 -0.057 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.087 1.539 7.193 1.00 0.00 H new ATOM 207 N LYS A 13 -10.724 -1.957 2.775 1.00 0.00 N ATOM 208 CA LYS A 13 -11.090 -3.346 2.512 1.00 0.00 C ATOM 209 C LYS A 13 -9.946 -4.275 2.912 1.00 0.00 C ATOM 210 O LYS A 13 -10.162 -5.346 3.477 1.00 0.00 O ATOM 211 CB LYS A 13 -11.387 -3.518 1.013 1.00 0.00 C ATOM 212 CG LYS A 13 -12.666 -4.343 0.825 1.00 0.00 C ATOM 213 CD LYS A 13 -13.896 -3.463 1.091 1.00 0.00 C ATOM 214 CE LYS A 13 -15.011 -4.307 1.714 1.00 0.00 C ATOM 215 NZ LYS A 13 -14.708 -4.542 3.154 1.00 0.00 N ATOM 0 H LYS A 13 -10.898 -1.320 1.998 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.975 -3.599 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.501 -2.542 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.549 -4.013 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.706 -4.743 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.663 -5.195 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.631 -2.644 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.243 -3.015 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.969 -3.797 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.098 -5.258 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.562 -4.886 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.953 -5.252 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.397 -3.652 3.593 1.00 0.00 H new ATOM 229 N HIS A 14 -8.729 -3.842 2.607 1.00 0.00 N ATOM 230 CA HIS A 14 -7.532 -4.615 2.924 1.00 0.00 C ATOM 231 C HIS A 14 -7.289 -4.677 4.427 1.00 0.00 C ATOM 232 O HIS A 14 -7.291 -5.754 5.024 1.00 0.00 O ATOM 233 CB HIS A 14 -6.316 -3.964 2.261 1.00 0.00 C ATOM 234 CG HIS A 14 -5.190 -4.961 2.191 1.00 0.00 C ATOM 235 ND1 HIS A 14 -3.908 -4.659 2.624 1.00 0.00 N ATOM 236 CD2 HIS A 14 -5.140 -6.259 1.747 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.148 -5.753 2.432 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.850 -6.758 1.900 1.00 0.00 N ATOM 0 H HIS A 14 -8.543 -2.955 2.138 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.681 -5.629 2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.575 -3.620 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.005 -3.087 2.828 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.598 -3.770 3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.975 -6.810 1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.098 -5.812 2.678 1.00 0.00 H new ATOM 247 N TYR A 15 -7.057 -3.515 5.025 1.00 0.00 N ATOM 248 CA TYR A 15 -6.784 -3.432 6.451 1.00 0.00 C ATOM 249 C TYR A 15 -8.079 -3.428 7.258 1.00 0.00 C ATOM 250 O TYR A 15 -8.116 -2.927 8.381 1.00 0.00 O ATOM 251 CB TYR A 15 -5.990 -2.151 6.742 1.00 0.00 C ATOM 252 CG TYR A 15 -4.510 -2.398 6.532 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.068 -3.177 5.453 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.577 -1.844 7.418 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.699 -3.400 5.263 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.208 -2.067 7.227 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.769 -2.846 6.150 1.00 0.00 C ATOM 258 OH TYR A 15 -0.421 -3.066 5.961 1.00 0.00 O ATOM 0 H TYR A 15 -7.053 -2.617 4.542 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.202 -4.306 6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.329 -1.347 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.171 -1.826 7.767 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.784 -3.605 4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.914 -1.244 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.360 -4.000 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.491 -1.638 7.911 1.00 0.00 H new ATOM 0 HH TYR A 15 0.087 -2.610 6.664 1.00 0.00 H new ATOM 268 N GLU A 16 -9.138 -3.993 6.689 1.00 0.00 N ATOM 269 CA GLU A 16 -10.417 -4.044 7.386 1.00 0.00 C ATOM 270 C GLU A 16 -10.225 -4.593 8.795 1.00 0.00 C ATOM 271 O GLU A 16 -11.005 -4.298 9.701 1.00 0.00 O ATOM 272 CB GLU A 16 -11.396 -4.934 6.618 1.00 0.00 C ATOM 273 CG GLU A 16 -10.772 -6.315 6.404 1.00 0.00 C ATOM 274 CD GLU A 16 -11.738 -7.212 5.639 1.00 0.00 C ATOM 275 OE1 GLU A 16 -11.863 -8.367 6.010 1.00 0.00 O ATOM 276 OE2 GLU A 16 -12.337 -6.731 4.692 1.00 0.00 O ATOM 0 H GLU A 16 -9.138 -4.416 5.761 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.822 -3.034 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.330 -5.027 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.639 -4.480 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.837 -6.219 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.529 -6.766 7.366 1.00 0.00 H new ATOM 283 N LYS A 17 -9.176 -5.393 8.969 1.00 0.00 N ATOM 284 CA LYS A 17 -8.873 -5.983 10.258 1.00 0.00 C ATOM 285 C LYS A 17 -7.838 -5.134 10.994 1.00 0.00 C ATOM 286 O LYS A 17 -7.928 -4.940 12.206 1.00 0.00 O ATOM 287 CB LYS A 17 -8.342 -7.401 10.043 1.00 0.00 C ATOM 288 CG LYS A 17 -7.609 -7.862 11.293 1.00 0.00 C ATOM 289 CD LYS A 17 -7.335 -9.364 11.209 1.00 0.00 C ATOM 290 CE LYS A 17 -6.339 -9.765 12.298 1.00 0.00 C ATOM 291 NZ LYS A 17 -6.821 -9.270 13.619 1.00 0.00 N ATOM 0 H LYS A 17 -8.523 -5.645 8.227 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.777 -6.022 10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.166 -8.079 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.670 -7.423 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.671 -7.317 11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.206 -7.641 12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.264 -9.921 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.937 -9.617 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.228 -10.849 12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.356 -9.348 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.346 -9.795 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.605 -8.257 13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.849 -9.413 13.689 1.00 0.00 H new ATOM 305 N THR A 18 -6.856 -4.630 10.251 1.00 0.00 N ATOM 306 CA THR A 18 -5.808 -3.804 10.841 1.00 0.00 C ATOM 307 C THR A 18 -6.249 -2.343 10.907 1.00 0.00 C ATOM 308 O THR A 18 -5.441 -1.434 10.731 1.00 0.00 O ATOM 309 CB THR A 18 -4.520 -3.920 10.012 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.854 -4.143 8.651 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.674 -5.086 10.526 1.00 0.00 C ATOM 0 H THR A 18 -6.765 -4.778 9.246 1.00 0.00 H new ATOM 0 HA THR A 18 -5.618 -4.158 11.854 1.00 0.00 H new ATOM 0 HB THR A 18 -3.950 -2.996 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.233 -3.648 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.762 -5.163 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.415 -4.915 11.571 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.241 -6.013 10.440 1.00 0.00 H new ATOM 319 N ILE A 19 -7.533 -2.119 11.164 1.00 0.00 N ATOM 320 CA ILE A 19 -8.041 -0.755 11.251 1.00 0.00 C ATOM 321 C ILE A 19 -7.190 0.056 12.222 1.00 0.00 C ATOM 322 O ILE A 19 -6.478 0.971 11.811 1.00 0.00 O ATOM 323 CB ILE A 19 -9.509 -0.757 11.700 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.979 0.689 11.897 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.663 -1.534 13.017 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.508 0.735 11.908 1.00 0.00 C ATOM 0 H ILE A 19 -8.230 -2.849 11.313 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.985 -0.296 10.264 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.116 -1.242 10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.587 1.085 12.834 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.592 1.320 11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.709 -1.527 13.323 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.334 -2.563 12.873 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.055 -1.064 13.790 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.840 1.764 12.048 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.890 0.356 10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.885 0.118 12.724 1.00 0.00 H new ATOM 338 N GLY A 20 -7.265 -0.284 13.510 1.00 0.00 N ATOM 339 CA GLY A 20 -6.491 0.422 14.530 1.00 0.00 C ATOM 340 C GLY A 20 -5.183 0.954 13.957 1.00 0.00 C ATOM 341 O GLY A 20 -4.923 2.156 13.995 1.00 0.00 O ATOM 0 H GLY A 20 -7.850 -1.039 13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.079 1.248 14.930 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.280 -0.251 15.361 1.00 0.00 H new ATOM 345 N PHE A 21 -4.364 0.052 13.415 1.00 0.00 N ATOM 346 CA PHE A 21 -3.091 0.455 12.825 1.00 0.00 C ATOM 347 C PHE A 21 -3.276 1.746 12.039 1.00 0.00 C ATOM 348 O PHE A 21 -2.527 2.707 12.214 1.00 0.00 O ATOM 349 CB PHE A 21 -2.568 -0.643 11.895 1.00 0.00 C ATOM 350 CG PHE A 21 -1.227 -0.234 11.338 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.108 0.134 9.991 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.100 -0.223 12.167 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.137 0.512 9.476 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.144 0.155 11.652 1.00 0.00 C ATOM 355 CZ PHE A 21 1.264 0.523 10.307 1.00 0.00 C ATOM 0 H PHE A 21 -4.557 -0.949 13.373 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.367 0.616 13.624 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.476 -1.583 12.440 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.275 -0.813 11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.977 0.126 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.191 -0.507 13.205 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.229 0.795 8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.013 0.163 12.293 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.225 0.815 9.910 1.00 0.00 H new ATOM 365 N HIS A 22 -4.288 1.763 11.180 1.00 0.00 N ATOM 366 CA HIS A 22 -4.573 2.946 10.384 1.00 0.00 C ATOM 367 C HIS A 22 -4.920 4.117 11.298 1.00 0.00 C ATOM 368 O HIS A 22 -4.262 5.155 11.248 1.00 0.00 O ATOM 369 CB HIS A 22 -5.725 2.672 9.413 1.00 0.00 C ATOM 370 CG HIS A 22 -5.719 3.702 8.316 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.940 5.048 8.564 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.523 3.599 6.961 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.872 5.694 7.385 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.621 4.857 6.376 1.00 0.00 N ATOM 0 H HIS A 22 -4.919 0.978 11.019 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.686 3.201 9.804 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.625 1.673 8.988 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.676 2.699 9.945 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.323 2.680 6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.004 6.760 7.270 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.522 5.090 5.388 1.00 0.00 H new ATOM 383 N ASP A 23 -5.933 3.952 12.140 1.00 0.00 N ATOM 384 CA ASP A 23 -6.318 5.021 13.057 1.00 0.00 C ATOM 385 C ASP A 23 -5.127 5.419 13.928 1.00 0.00 C ATOM 386 O ASP A 23 -5.201 6.367 14.710 1.00 0.00 O ATOM 387 CB ASP A 23 -7.476 4.557 13.945 1.00 0.00 C ATOM 388 CG ASP A 23 -8.227 5.764 14.500 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.595 6.790 14.694 1.00 0.00 O ATOM 390 OD2 ASP A 23 -9.419 5.644 14.723 1.00 0.00 O ATOM 0 H ASP A 23 -6.495 3.104 12.208 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.638 5.885 12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.156 3.928 13.370 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.095 3.948 14.764 1.00 0.00 H new ATOM 395 N LYS A 24 -4.035 4.678 13.781 1.00 0.00 N ATOM 396 CA LYS A 24 -2.818 4.933 14.545 1.00 0.00 C ATOM 397 C LYS A 24 -1.846 5.833 13.777 1.00 0.00 C ATOM 398 O LYS A 24 -1.686 7.000 14.131 1.00 0.00 O ATOM 399 CB LYS A 24 -2.140 3.602 14.906 1.00 0.00 C ATOM 400 CG LYS A 24 -2.060 3.447 16.435 1.00 0.00 C ATOM 401 CD LYS A 24 -0.853 2.585 16.799 1.00 0.00 C ATOM 402 CE LYS A 24 -1.023 2.029 18.215 1.00 0.00 C ATOM 403 NZ LYS A 24 -1.648 3.067 19.085 1.00 0.00 N ATOM 0 H LYS A 24 -3.967 3.891 13.136 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.098 5.457 15.459 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.701 2.771 14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.139 3.566 14.476 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.976 4.426 16.906 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.974 2.989 16.813 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.751 1.766 16.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.060 3.177 16.738 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.645 1.134 18.194 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.055 1.734 18.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.447 2.851 20.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.257 4.001 18.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.677 3.074 18.933 1.00 0.00 H new ATOM 417 N TYR A 25 -1.174 5.305 12.754 1.00 0.00 N ATOM 418 CA TYR A 25 -0.207 6.123 12.014 1.00 0.00 C ATOM 419 C TYR A 25 -0.767 6.620 10.683 1.00 0.00 C ATOM 420 O TYR A 25 -0.875 7.826 10.462 1.00 0.00 O ATOM 421 CB TYR A 25 1.074 5.327 11.760 1.00 0.00 C ATOM 422 CG TYR A 25 1.476 4.592 13.017 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.154 3.238 13.168 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.172 5.264 14.029 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.530 2.555 14.331 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.547 4.580 15.192 1.00 0.00 C ATOM 427 CZ TYR A 25 2.225 3.227 15.343 1.00 0.00 C ATOM 428 OH TYR A 25 2.595 2.553 16.489 1.00 0.00 O ATOM 0 H TYR A 25 -1.274 4.345 12.424 1.00 0.00 H new ATOM 0 HA TYR A 25 0.011 6.994 12.631 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.918 4.618 10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.874 5.998 11.448 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.616 2.720 12.388 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.419 6.309 13.913 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.284 1.510 14.447 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.085 5.097 15.973 1.00 0.00 H new ATOM 0 HH TYR A 25 3.070 3.165 17.089 1.00 0.00 H new ATOM 438 N ILE A 26 -1.095 5.692 9.792 1.00 0.00 N ATOM 439 CA ILE A 26 -1.615 6.060 8.477 1.00 0.00 C ATOM 440 C ILE A 26 -2.623 7.205 8.573 1.00 0.00 C ATOM 441 O ILE A 26 -2.944 7.840 7.568 1.00 0.00 O ATOM 442 CB ILE A 26 -2.273 4.849 7.809 1.00 0.00 C ATOM 443 CG1 ILE A 26 -1.419 3.597 8.049 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.397 5.098 6.306 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.038 3.884 7.676 1.00 0.00 C ATOM 0 H ILE A 26 -1.012 4.688 9.952 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.773 6.397 7.872 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.264 4.698 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.484 3.296 9.095 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.799 2.767 7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.865 4.236 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.008 5.984 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.406 5.253 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.640 2.992 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.096 4.163 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.417 4.701 8.290 1.00 0.00 H new ATOM 457 N LYS A 27 -3.121 7.470 9.778 1.00 0.00 N ATOM 458 CA LYS A 27 -4.091 8.548 9.965 1.00 0.00 C ATOM 459 C LYS A 27 -3.382 9.897 10.085 1.00 0.00 C ATOM 460 O LYS A 27 -3.380 10.694 9.146 1.00 0.00 O ATOM 461 CB LYS A 27 -4.938 8.292 11.226 1.00 0.00 C ATOM 462 CG LYS A 27 -6.429 8.303 10.863 1.00 0.00 C ATOM 463 CD LYS A 27 -6.844 9.708 10.390 1.00 0.00 C ATOM 464 CE LYS A 27 -7.674 9.602 9.108 1.00 0.00 C ATOM 465 NZ LYS A 27 -8.792 8.640 9.315 1.00 0.00 N ATOM 0 H LYS A 27 -2.875 6.963 10.628 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.745 8.572 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.669 7.332 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.731 9.056 11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.626 7.573 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.025 8.010 11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.422 10.207 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.958 10.317 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.069 10.581 8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.045 9.272 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.607 8.924 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.485 7.686 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.066 8.637 10.318 1.00 0.00 H new ATOM 479 N ASP A 28 -2.785 10.143 11.249 1.00 0.00 N ATOM 480 CA ASP A 28 -2.077 11.397 11.495 1.00 0.00 C ATOM 481 C ASP A 28 -1.316 11.846 10.251 1.00 0.00 C ATOM 482 O ASP A 28 -1.645 12.866 9.645 1.00 0.00 O ATOM 483 CB ASP A 28 -1.098 11.221 12.656 1.00 0.00 C ATOM 484 CG ASP A 28 -0.591 12.582 13.122 1.00 0.00 C ATOM 485 OD1 ASP A 28 -1.382 13.329 13.673 1.00 0.00 O ATOM 486 OD2 ASP A 28 0.581 12.856 12.922 1.00 0.00 O ATOM 0 H ASP A 28 -2.777 9.493 12.035 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.813 12.161 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.589 10.705 13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.259 10.599 12.344 1.00 0.00 H new ATOM 491 N ILE A 29 -0.298 11.078 9.878 1.00 0.00 N ATOM 492 CA ILE A 29 0.503 11.409 8.706 1.00 0.00 C ATOM 493 C ILE A 29 -0.393 11.838 7.548 1.00 0.00 C ATOM 494 O ILE A 29 -1.598 11.588 7.559 1.00 0.00 O ATOM 495 CB ILE A 29 1.343 10.201 8.291 1.00 0.00 C ATOM 496 CG1 ILE A 29 2.366 9.900 9.388 1.00 0.00 C ATOM 497 CG2 ILE A 29 2.073 10.505 6.980 1.00 0.00 C ATOM 498 CD1 ILE A 29 3.032 8.554 9.109 1.00 0.00 C ATOM 0 H ILE A 29 -0.010 10.230 10.365 1.00 0.00 H new ATOM 0 HA ILE A 29 1.164 12.237 8.961 1.00 0.00 H new ATOM 0 HB ILE A 29 0.693 9.338 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.117 10.689 9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.876 9.880 10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.671 9.642 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.344 10.723 6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.725 11.367 7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.761 8.340 9.891 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.275 7.770 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.536 8.591 8.143 1.00 0.00 H new ATOM 510 N ASN A 30 0.204 12.484 6.554 1.00 0.00 N ATOM 511 CA ASN A 30 -0.551 12.944 5.394 1.00 0.00 C ATOM 512 C ASN A 30 0.388 13.490 4.324 1.00 0.00 C ATOM 513 O ASN A 30 0.161 14.572 3.782 1.00 0.00 O ATOM 514 CB ASN A 30 -1.540 14.035 5.814 1.00 0.00 C ATOM 515 CG ASN A 30 -2.509 14.327 4.673 1.00 0.00 C ATOM 516 OD1 ASN A 30 -2.780 13.455 3.848 1.00 0.00 O ATOM 517 ND2 ASN A 30 -3.051 15.511 4.577 1.00 0.00 N ATOM 0 H ASN A 30 1.200 12.700 6.527 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.098 12.097 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.092 13.716 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.000 14.942 6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.700 15.715 3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.825 16.232 5.262 1.00 0.00 H new ATOM 524 N ARG A 31 1.439 12.733 4.020 1.00 0.00 N ATOM 525 CA ARG A 31 2.404 13.148 3.005 1.00 0.00 C ATOM 526 C ARG A 31 2.680 12.000 2.039 1.00 0.00 C ATOM 527 O ARG A 31 3.258 10.980 2.412 1.00 0.00 O ATOM 528 CB ARG A 31 3.710 13.592 3.667 1.00 0.00 C ATOM 529 CG ARG A 31 4.633 14.235 2.623 1.00 0.00 C ATOM 530 CD ARG A 31 4.014 15.536 2.096 1.00 0.00 C ATOM 531 NE ARG A 31 3.235 16.191 3.144 1.00 0.00 N ATOM 532 CZ ARG A 31 2.184 16.952 2.852 1.00 0.00 C ATOM 533 NH1 ARG A 31 1.829 17.129 1.608 1.00 0.00 N ATOM 534 NH2 ARG A 31 1.508 17.524 3.809 1.00 0.00 N ATOM 0 H ARG A 31 1.644 11.835 4.458 1.00 0.00 H new ATOM 0 HA ARG A 31 1.984 13.987 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.499 14.303 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.205 12.736 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.607 14.441 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.798 13.542 1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.801 16.205 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.375 15.321 1.240 1.00 0.00 H new ATOM 0 HE ARG A 31 3.503 16.062 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.358 16.683 0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.023 17.713 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.785 17.388 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.702 18.108 3.586 1.00 0.00 H new ATOM 548 N PHE A 32 2.255 12.182 0.796 1.00 0.00 N ATOM 549 CA PHE A 32 2.443 11.170 -0.237 1.00 0.00 C ATOM 550 C PHE A 32 2.538 11.839 -1.604 1.00 0.00 C ATOM 551 O PHE A 32 1.914 12.875 -1.839 1.00 0.00 O ATOM 552 CB PHE A 32 1.263 10.192 -0.221 1.00 0.00 C ATOM 553 CG PHE A 32 0.045 10.850 -0.831 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.362 10.506 -2.125 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.676 11.802 -0.101 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.490 11.114 -2.690 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.804 12.411 -0.665 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.210 12.066 -1.960 1.00 0.00 C ATOM 0 H PHE A 32 1.776 13.024 0.477 1.00 0.00 H new ATOM 0 HA PHE A 32 3.366 10.624 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.518 9.291 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.048 9.884 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.194 9.771 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.362 12.067 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.804 10.848 -3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.360 13.146 -0.102 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.080 12.535 -2.396 1.00 0.00 H new ATOM 568 N VAL A 33 3.319 11.249 -2.505 1.00 0.00 N ATOM 569 CA VAL A 33 3.476 11.817 -3.841 1.00 0.00 C ATOM 570 C VAL A 33 3.740 10.728 -4.875 1.00 0.00 C ATOM 571 O VAL A 33 4.436 9.750 -4.602 1.00 0.00 O ATOM 572 CB VAL A 33 4.632 12.820 -3.853 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.271 14.031 -2.992 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.888 12.154 -3.292 1.00 0.00 C ATOM 0 H VAL A 33 3.846 10.391 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 33 2.547 12.324 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 33 4.817 13.146 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.096 14.744 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.375 14.507 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.084 13.707 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.712 12.867 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.701 11.827 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.148 11.292 -3.906 1.00 0.00 H new ATOM 584 N PHE A 34 3.180 10.916 -6.066 1.00 0.00 N ATOM 585 CA PHE A 34 3.350 9.961 -7.157 1.00 0.00 C ATOM 586 C PHE A 34 3.632 10.709 -8.458 1.00 0.00 C ATOM 587 O PHE A 34 2.853 10.651 -9.409 1.00 0.00 O ATOM 588 CB PHE A 34 2.087 9.103 -7.297 1.00 0.00 C ATOM 589 CG PHE A 34 0.987 9.902 -7.954 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.496 9.518 -9.207 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.460 11.023 -7.307 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.524 10.259 -9.815 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.561 11.765 -7.913 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.053 11.384 -9.168 1.00 0.00 C ATOM 0 H PHE A 34 2.603 11.723 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 34 4.195 9.308 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.305 8.215 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.761 8.759 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.904 8.650 -9.704 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.840 11.317 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.903 9.964 -10.782 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.969 12.631 -7.413 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.839 11.957 -9.637 1.00 0.00 H new ATOM 604 N LYS A 35 4.749 11.431 -8.481 1.00 0.00 N ATOM 605 CA LYS A 35 5.127 12.214 -9.659 1.00 0.00 C ATOM 606 C LYS A 35 6.488 11.778 -10.189 1.00 0.00 C ATOM 607 O LYS A 35 7.477 12.499 -10.063 1.00 0.00 O ATOM 608 CB LYS A 35 5.163 13.705 -9.298 1.00 0.00 C ATOM 609 CG LYS A 35 4.930 14.555 -10.555 1.00 0.00 C ATOM 610 CD LYS A 35 3.429 14.788 -10.751 1.00 0.00 C ATOM 611 CE LYS A 35 3.195 15.570 -12.045 1.00 0.00 C ATOM 612 NZ LYS A 35 3.336 14.653 -13.213 1.00 0.00 N ATOM 0 H LYS A 35 5.406 11.492 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 35 4.385 12.044 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.399 13.926 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.125 13.957 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.447 15.510 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.347 14.052 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.905 13.833 -10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.023 15.339 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.201 16.017 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.911 16.388 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.030 15.143 -14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.331 14.367 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.746 13.809 -13.065 1.00 0.00 H new ATOM 626 N ASN A 36 6.522 10.594 -10.786 1.00 0.00 N ATOM 627 CA ASN A 36 7.754 10.053 -11.344 1.00 0.00 C ATOM 628 C ASN A 36 7.479 8.681 -11.947 1.00 0.00 C ATOM 629 O ASN A 36 7.907 8.384 -13.061 1.00 0.00 O ATOM 630 CB ASN A 36 8.825 9.934 -10.249 1.00 0.00 C ATOM 631 CG ASN A 36 9.665 11.207 -10.186 1.00 0.00 C ATOM 632 OD1 ASN A 36 9.811 11.802 -9.119 1.00 0.00 O ATOM 633 ND2 ASN A 36 10.227 11.662 -11.273 1.00 0.00 N ATOM 0 H ASN A 36 5.708 9.989 -10.896 1.00 0.00 H new ATOM 0 HA ASN A 36 8.119 10.726 -12.120 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.350 9.756 -9.284 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.467 9.077 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.789 12.513 -11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.104 11.167 -12.156 1.00 0.00 H new ATOM 640 N ASN A 37 6.752 7.860 -11.192 1.00 0.00 N ATOM 641 CA ASN A 37 6.393 6.510 -11.625 1.00 0.00 C ATOM 642 C ASN A 37 6.149 5.624 -10.411 1.00 0.00 C ATOM 643 O ASN A 37 5.551 4.553 -10.518 1.00 0.00 O ATOM 644 CB ASN A 37 7.501 5.893 -12.489 1.00 0.00 C ATOM 645 CG ASN A 37 8.871 6.238 -11.912 1.00 0.00 C ATOM 646 OD1 ASN A 37 8.956 6.742 -10.711 1.00 0.00 O flip ATOM 647 ND2 ASN A 37 9.891 6.044 -12.574 1.00 0.00 N flip ATOM 0 H ASN A 37 6.397 8.109 -10.269 1.00 0.00 H new ATOM 0 HA ASN A 37 5.484 6.579 -12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.378 4.811 -12.533 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.425 6.264 -13.511 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.823 5.650 -13.512 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.804 6.277 -12.184 1.00 0.00 H new ATOM 654 N VAL A 38 6.632 6.078 -9.260 1.00 0.00 N ATOM 655 CA VAL A 38 6.484 5.321 -8.020 1.00 0.00 C ATOM 656 C VAL A 38 5.704 6.129 -6.991 1.00 0.00 C ATOM 657 O VAL A 38 5.355 7.285 -7.229 1.00 0.00 O ATOM 658 CB VAL A 38 7.868 4.961 -7.465 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.722 4.092 -6.211 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.651 4.187 -8.529 1.00 0.00 C ATOM 0 H VAL A 38 7.128 6.963 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 38 5.931 4.406 -8.232 1.00 0.00 H new ATOM 0 HB VAL A 38 8.399 5.876 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.710 3.842 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.164 4.640 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.188 3.176 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.636 3.929 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.112 3.275 -8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.764 4.805 -9.419 1.00 0.00 H new ATOM 670 N LEU A 39 5.436 5.511 -5.844 1.00 0.00 N ATOM 671 CA LEU A 39 4.697 6.177 -4.777 1.00 0.00 C ATOM 672 C LEU A 39 5.484 6.122 -3.472 1.00 0.00 C ATOM 673 O LEU A 39 5.847 5.042 -3.000 1.00 0.00 O ATOM 674 CB LEU A 39 3.334 5.505 -4.581 1.00 0.00 C ATOM 675 CG LEU A 39 2.387 5.910 -5.718 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.525 4.930 -6.879 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.940 5.897 -5.220 1.00 0.00 C ATOM 0 H LEU A 39 5.718 4.554 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 39 4.548 7.219 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.452 4.422 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.909 5.796 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 39 2.648 6.914 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.850 5.222 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.552 4.941 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.271 3.926 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.273 6.186 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.682 4.895 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.833 6.601 -4.395 1.00 0.00 H new ATOM 689 N LEU A 40 5.741 7.292 -2.891 1.00 0.00 N ATOM 690 CA LEU A 40 6.485 7.369 -1.637 1.00 0.00 C ATOM 691 C LEU A 40 5.611 8.000 -0.555 1.00 0.00 C ATOM 692 O LEU A 40 4.790 8.875 -0.836 1.00 0.00 O ATOM 693 CB LEU A 40 7.766 8.203 -1.842 1.00 0.00 C ATOM 694 CG LEU A 40 9.012 7.297 -1.831 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.125 7.932 -2.671 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.507 7.123 -0.391 1.00 0.00 C ATOM 0 H LEU A 40 5.447 8.194 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 40 6.765 6.364 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.709 8.740 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.848 8.953 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 40 8.749 6.326 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.003 7.286 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.780 8.057 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.385 8.905 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.388 6.482 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.763 8.097 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.722 6.666 0.211 1.00 0.00 H new ATOM 708 N ILE A 41 5.793 7.542 0.681 1.00 0.00 N ATOM 709 CA ILE A 41 5.017 8.057 1.808 1.00 0.00 C ATOM 710 C ILE A 41 5.913 8.228 3.034 1.00 0.00 C ATOM 711 O ILE A 41 6.716 7.352 3.355 1.00 0.00 O ATOM 712 CB ILE A 41 3.874 7.093 2.142 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.860 7.077 0.995 1.00 0.00 C ATOM 714 CG2 ILE A 41 3.178 7.546 3.427 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.868 5.932 1.208 1.00 0.00 C ATOM 0 H ILE A 41 6.468 6.818 0.928 1.00 0.00 H new ATOM 0 HA ILE A 41 4.603 9.026 1.530 1.00 0.00 H new ATOM 0 HB ILE A 41 4.280 6.091 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.330 8.028 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.375 6.954 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.365 6.859 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.896 7.553 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.776 8.550 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.146 5.920 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.406 4.984 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.345 6.075 2.153 1.00 0.00 H new ATOM 727 N LEU A 42 5.779 9.364 3.709 1.00 0.00 N ATOM 728 CA LEU A 42 6.590 9.643 4.891 1.00 0.00 C ATOM 729 C LEU A 42 6.235 8.700 6.039 1.00 0.00 C ATOM 730 O LEU A 42 5.063 8.515 6.365 1.00 0.00 O ATOM 731 CB LEU A 42 6.370 11.088 5.350 1.00 0.00 C ATOM 732 CG LEU A 42 7.075 12.075 4.405 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.587 12.058 4.654 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.798 11.702 2.945 1.00 0.00 C ATOM 0 H LEU A 42 5.121 10.103 3.461 1.00 0.00 H new ATOM 0 HA LEU A 42 7.635 9.492 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.302 11.306 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.750 11.214 6.364 1.00 0.00 H new ATOM 0 HG LEU A 42 6.688 13.075 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.075 12.761 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.789 12.346 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.974 11.055 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.303 12.409 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.169 10.696 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.725 11.736 2.758 1.00 0.00 H new ATOM 746 N LEU A 43 7.261 8.124 6.660 1.00 0.00 N ATOM 747 CA LEU A 43 7.057 7.219 7.787 1.00 0.00 C ATOM 748 C LEU A 43 8.344 7.089 8.597 1.00 0.00 C ATOM 749 O LEU A 43 9.241 6.330 8.233 1.00 0.00 O ATOM 750 CB LEU A 43 6.620 5.835 7.293 1.00 0.00 C ATOM 751 CG LEU A 43 6.154 4.978 8.483 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.689 5.286 8.805 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.281 3.491 8.136 1.00 0.00 C ATOM 0 H LEU A 43 8.238 8.267 6.403 1.00 0.00 H new ATOM 0 HA LEU A 43 6.272 7.633 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.812 5.936 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.448 5.344 6.782 1.00 0.00 H new ATOM 0 HG LEU A 43 6.778 5.210 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.366 4.676 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.586 6.341 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.070 5.061 7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.949 2.890 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.662 3.266 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.322 3.258 7.911 1.00 0.00 H new ATOM 765 N GLU A 44 8.429 7.837 9.692 1.00 0.00 N ATOM 766 CA GLU A 44 9.612 7.798 10.546 1.00 0.00 C ATOM 767 C GLU A 44 9.459 6.729 11.625 1.00 0.00 C ATOM 768 O GLU A 44 10.444 6.151 12.083 1.00 0.00 O ATOM 769 CB GLU A 44 9.830 9.163 11.202 1.00 0.00 C ATOM 770 CG GLU A 44 8.517 9.652 11.814 1.00 0.00 C ATOM 771 CD GLU A 44 8.782 10.838 12.736 1.00 0.00 C ATOM 772 OE1 GLU A 44 9.265 11.846 12.246 1.00 0.00 O ATOM 773 OE2 GLU A 44 8.499 10.722 13.916 1.00 0.00 O ATOM 0 H GLU A 44 7.698 8.474 10.008 1.00 0.00 H new ATOM 0 HA GLU A 44 10.475 7.552 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.597 9.089 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.188 9.880 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.824 9.942 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.044 8.845 12.373 1.00 0.00 H new ATOM 780 N ASN A 45 8.217 6.473 12.023 1.00 0.00 N ATOM 781 CA ASN A 45 7.943 5.471 13.048 1.00 0.00 C ATOM 782 C ASN A 45 8.763 4.208 12.793 1.00 0.00 C ATOM 783 O ASN A 45 8.572 3.523 11.787 1.00 0.00 O ATOM 784 CB ASN A 45 6.450 5.129 13.056 1.00 0.00 C ATOM 785 CG ASN A 45 5.685 6.133 13.913 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.119 5.767 14.944 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.633 7.386 13.548 1.00 0.00 N ATOM 0 H ASN A 45 7.389 6.942 11.655 1.00 0.00 H new ATOM 0 HA ASN A 45 8.224 5.880 14.019 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.062 5.139 12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.302 4.121 13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.123 8.062 14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.102 7.688 12.694 1.00 0.00 H new ATOM 794 N GLU A 46 9.679 3.911 13.708 1.00 0.00 N ATOM 795 CA GLU A 46 10.532 2.734 13.575 1.00 0.00 C ATOM 796 C GLU A 46 9.700 1.454 13.554 1.00 0.00 C ATOM 797 O GLU A 46 10.056 0.487 12.881 1.00 0.00 O ATOM 798 CB GLU A 46 11.530 2.680 14.735 1.00 0.00 C ATOM 799 CG GLU A 46 12.271 1.339 14.714 1.00 0.00 C ATOM 800 CD GLU A 46 13.519 1.418 15.587 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.440 2.018 16.646 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.535 0.878 15.183 1.00 0.00 O ATOM 0 H GLU A 46 9.850 4.466 14.547 1.00 0.00 H new ATOM 0 HA GLU A 46 11.072 2.810 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.242 3.502 14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.007 2.803 15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.615 0.546 15.074 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.548 1.084 13.691 1.00 0.00 H new ATOM 809 N PHE A 47 8.596 1.447 14.295 1.00 0.00 N ATOM 810 CA PHE A 47 7.736 0.271 14.348 1.00 0.00 C ATOM 811 C PHE A 47 6.917 0.155 13.067 1.00 0.00 C ATOM 812 O PHE A 47 7.197 -0.688 12.216 1.00 0.00 O ATOM 813 CB PHE A 47 6.797 0.362 15.560 1.00 0.00 C ATOM 814 CG PHE A 47 7.429 -0.327 16.747 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.323 -1.717 16.886 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.118 0.422 17.709 1.00 0.00 C ATOM 817 CE1 PHE A 47 7.907 -2.357 17.986 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.702 -0.219 18.808 1.00 0.00 C ATOM 819 CZ PHE A 47 8.596 -1.608 18.947 1.00 0.00 C ATOM 0 H PHE A 47 8.279 2.234 14.861 1.00 0.00 H new ATOM 0 HA PHE A 47 8.363 -0.615 14.446 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.595 1.406 15.798 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.839 -0.102 15.326 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.791 -2.295 16.145 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.199 1.494 17.603 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.826 -3.429 18.093 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.235 0.358 19.549 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.046 -2.102 19.796 1.00 0.00 H new ATOM 829 N ALA A 48 5.898 0.998 12.944 1.00 0.00 N ATOM 830 CA ALA A 48 5.032 0.978 11.768 1.00 0.00 C ATOM 831 C ALA A 48 5.828 0.687 10.501 1.00 0.00 C ATOM 832 O ALA A 48 5.307 0.104 9.554 1.00 0.00 O ATOM 833 CB ALA A 48 4.329 2.326 11.615 1.00 0.00 C ATOM 0 H ALA A 48 5.651 1.701 13.640 1.00 0.00 H new ATOM 0 HA ALA A 48 4.296 0.186 11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.685 2.303 10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.726 2.525 12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.074 3.114 11.499 1.00 0.00 H new ATOM 839 N ARG A 49 7.091 1.100 10.491 1.00 0.00 N ATOM 840 CA ARG A 49 7.944 0.882 9.328 1.00 0.00 C ATOM 841 C ARG A 49 8.597 -0.496 9.385 1.00 0.00 C ATOM 842 O ARG A 49 8.820 -1.131 8.354 1.00 0.00 O ATOM 843 CB ARG A 49 9.026 1.962 9.278 1.00 0.00 C ATOM 844 CG ARG A 49 9.651 2.009 7.876 1.00 0.00 C ATOM 845 CD ARG A 49 10.345 3.360 7.656 1.00 0.00 C ATOM 846 NE ARG A 49 11.756 3.264 8.012 1.00 0.00 N ATOM 847 CZ ARG A 49 12.637 2.724 7.178 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.245 2.268 6.021 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.896 2.649 7.517 1.00 0.00 N ATOM 0 H ARG A 49 7.544 1.583 11.267 1.00 0.00 H new ATOM 0 HA ARG A 49 7.328 0.935 8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.596 2.932 9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.795 1.754 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.371 1.198 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.880 1.859 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.245 3.663 6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.861 4.128 8.259 1.00 0.00 H new ATOM 0 HE ARG A 49 12.071 3.617 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.262 2.326 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.922 1.853 5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.202 3.005 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.573 2.234 6.876 1.00 0.00 H new ATOM 863 N ASN A 50 8.902 -0.947 10.594 1.00 0.00 N ATOM 864 CA ASN A 50 9.534 -2.246 10.780 1.00 0.00 C ATOM 865 C ASN A 50 8.710 -3.351 10.124 1.00 0.00 C ATOM 866 O ASN A 50 9.250 -4.271 9.512 1.00 0.00 O ATOM 867 CB ASN A 50 9.658 -2.541 12.278 1.00 0.00 C ATOM 868 CG ASN A 50 10.195 -3.953 12.490 1.00 0.00 C ATOM 869 OD1 ASN A 50 9.418 -4.897 12.639 1.00 0.00 O ATOM 870 ND2 ASN A 50 11.483 -4.155 12.512 1.00 0.00 N ATOM 0 H ASN A 50 8.723 -0.435 11.458 1.00 0.00 H new ATOM 0 HA ASN A 50 10.520 -2.219 10.316 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.324 -1.816 12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.685 -2.437 12.759 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.849 -5.097 12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.124 -3.372 12.388 1.00 0.00 H new ATOM 877 N SER A 51 7.393 -3.253 10.294 1.00 0.00 N ATOM 878 CA SER A 51 6.457 -4.241 9.763 1.00 0.00 C ATOM 879 C SER A 51 5.982 -3.895 8.350 1.00 0.00 C ATOM 880 O SER A 51 5.981 -4.751 7.464 1.00 0.00 O ATOM 881 CB SER A 51 5.244 -4.317 10.696 1.00 0.00 C ATOM 882 OG SER A 51 5.306 -5.522 11.447 1.00 0.00 O ATOM 0 H SER A 51 6.946 -2.489 10.802 1.00 0.00 H new ATOM 0 HA SER A 51 6.975 -5.198 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.231 -3.457 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.322 -4.283 10.116 1.00 0.00 H new ATOM 0 HG SER A 51 4.533 -5.574 12.047 1.00 0.00 H new ATOM 888 N LEU A 52 5.553 -2.654 8.149 1.00 0.00 N ATOM 889 CA LEU A 52 5.051 -2.240 6.842 1.00 0.00 C ATOM 890 C LEU A 52 5.975 -2.711 5.721 1.00 0.00 C ATOM 891 O LEU A 52 5.537 -3.398 4.800 1.00 0.00 O ATOM 892 CB LEU A 52 4.894 -0.713 6.782 1.00 0.00 C ATOM 893 CG LEU A 52 3.543 -0.299 7.391 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.461 1.231 7.471 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.389 -0.825 6.519 1.00 0.00 C ATOM 0 H LEU A 52 5.542 -1.925 8.863 1.00 0.00 H new ATOM 0 HA LEU A 52 4.075 -2.704 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.709 -0.234 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.956 -0.373 5.748 1.00 0.00 H new ATOM 0 HG LEU A 52 3.461 -0.724 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.503 1.522 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.270 1.606 8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.551 1.653 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.437 -0.527 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.472 -0.408 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.440 -1.913 6.466 1.00 0.00 H new ATOM 907 N ASN A 53 7.247 -2.335 5.790 1.00 0.00 N ATOM 908 CA ASN A 53 8.192 -2.727 4.752 1.00 0.00 C ATOM 909 C ASN A 53 8.524 -4.217 4.840 1.00 0.00 C ATOM 910 O ASN A 53 9.149 -4.771 3.936 1.00 0.00 O ATOM 911 CB ASN A 53 9.470 -1.893 4.859 1.00 0.00 C ATOM 912 CG ASN A 53 10.325 -2.385 6.022 1.00 0.00 C ATOM 913 OD1 ASN A 53 9.818 -3.034 6.937 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.602 -2.112 6.042 1.00 0.00 N ATOM 0 H ASN A 53 7.643 -1.769 6.540 1.00 0.00 H new ATOM 0 HA ASN A 53 7.726 -2.542 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.035 -1.959 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.216 -0.843 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.181 -2.437 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.020 -1.574 5.283 1.00 0.00 H new ATOM 921 N ASP A 54 8.094 -4.867 5.918 1.00 0.00 N ATOM 922 CA ASP A 54 8.351 -6.295 6.074 1.00 0.00 C ATOM 923 C ASP A 54 7.427 -7.086 5.154 1.00 0.00 C ATOM 924 O ASP A 54 7.781 -8.159 4.666 1.00 0.00 O ATOM 925 CB ASP A 54 8.117 -6.722 7.526 1.00 0.00 C ATOM 926 CG ASP A 54 8.801 -8.059 7.794 1.00 0.00 C ATOM 927 OD1 ASP A 54 8.798 -8.484 8.938 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.318 -8.637 6.852 1.00 0.00 O ATOM 0 H ASP A 54 7.575 -4.437 6.684 1.00 0.00 H new ATOM 0 HA ASP A 54 9.389 -6.496 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.506 -5.963 8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.048 -6.806 7.721 1.00 0.00 H new ATOM 933 N ASN A 55 6.240 -6.534 4.927 1.00 0.00 N ATOM 934 CA ASN A 55 5.249 -7.169 4.065 1.00 0.00 C ATOM 935 C ASN A 55 4.144 -6.171 3.736 1.00 0.00 C ATOM 936 O ASN A 55 3.203 -6.000 4.511 1.00 0.00 O ATOM 937 CB ASN A 55 4.648 -8.387 4.769 1.00 0.00 C ATOM 938 CG ASN A 55 3.988 -7.957 6.074 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.424 -6.994 6.704 1.00 0.00 O ATOM 940 ND2 ASN A 55 2.954 -8.617 6.519 1.00 0.00 N ATOM 0 H ASN A 55 5.940 -5.646 5.329 1.00 0.00 H new ATOM 0 HA ASN A 55 5.733 -7.493 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.915 -8.867 4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.427 -9.123 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.505 -8.335 7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.594 -9.415 5.995 1.00 0.00 H new ATOM 947 N SER A 56 4.269 -5.502 2.594 1.00 0.00 N ATOM 948 CA SER A 56 3.276 -4.511 2.194 1.00 0.00 C ATOM 949 C SER A 56 3.150 -4.438 0.674 1.00 0.00 C ATOM 950 O SER A 56 3.672 -3.521 0.040 1.00 0.00 O ATOM 951 CB SER A 56 3.672 -3.143 2.751 1.00 0.00 C ATOM 952 OG SER A 56 3.311 -3.074 4.125 1.00 0.00 O ATOM 0 H SER A 56 5.039 -5.626 1.936 1.00 0.00 H new ATOM 0 HA SER A 56 2.308 -4.808 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.745 -2.987 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.173 -2.351 2.192 1.00 0.00 H new ATOM 0 HG SER A 56 3.987 -3.535 4.664 1.00 0.00 H new ATOM 958 N GLU A 57 2.443 -5.406 0.100 1.00 0.00 N ATOM 959 CA GLU A 57 2.236 -5.445 -1.344 1.00 0.00 C ATOM 960 C GLU A 57 1.134 -4.472 -1.739 1.00 0.00 C ATOM 961 O GLU A 57 0.198 -4.830 -2.449 1.00 0.00 O ATOM 962 CB GLU A 57 1.855 -6.860 -1.781 1.00 0.00 C ATOM 963 CG GLU A 57 0.741 -7.401 -0.876 1.00 0.00 C ATOM 964 CD GLU A 57 1.339 -8.018 0.384 1.00 0.00 C ATOM 965 OE1 GLU A 57 2.006 -9.032 0.265 1.00 0.00 O ATOM 966 OE2 GLU A 57 1.121 -7.467 1.451 1.00 0.00 O ATOM 0 H GLU A 57 2.005 -6.172 0.611 1.00 0.00 H new ATOM 0 HA GLU A 57 3.163 -5.156 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.522 -6.853 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.726 -7.513 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.058 -6.595 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.156 -8.148 -1.413 1.00 0.00 H new ATOM 973 N ILE A 58 1.253 -3.240 -1.263 1.00 0.00 N ATOM 974 CA ILE A 58 0.257 -2.215 -1.561 1.00 0.00 C ATOM 975 C ILE A 58 0.039 -2.084 -3.068 1.00 0.00 C ATOM 976 O ILE A 58 -0.816 -1.321 -3.511 1.00 0.00 O ATOM 977 CB ILE A 58 0.694 -0.870 -0.974 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.219 -1.079 0.447 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.487 0.099 -0.943 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.214 -1.902 1.257 1.00 0.00 C ATOM 0 H ILE A 58 2.023 -2.926 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.687 -2.515 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 58 1.483 -0.450 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.181 -1.590 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.385 -0.115 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.165 1.052 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.856 0.255 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.284 -0.318 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.594 -2.047 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.738 -1.374 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.070 -2.872 0.781 1.00 0.00 H new ATOM 992 N ILE A 59 0.800 -2.844 -3.850 1.00 0.00 N ATOM 993 CA ILE A 59 0.657 -2.810 -5.304 1.00 0.00 C ATOM 994 C ILE A 59 -0.373 -3.851 -5.744 1.00 0.00 C ATOM 995 O ILE A 59 -0.650 -4.017 -6.931 1.00 0.00 O ATOM 996 CB ILE A 59 2.011 -3.090 -5.965 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.822 -3.303 -7.473 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.630 -4.343 -5.345 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.139 -3.018 -8.200 1.00 0.00 C ATOM 0 H ILE A 59 1.515 -3.485 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 59 0.314 -1.822 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 59 2.672 -2.238 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.501 -4.326 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.038 -2.645 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.593 -4.543 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.773 -4.187 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.966 -5.193 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.004 -3.170 -9.271 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.441 -1.987 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.911 -3.694 -7.833 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.938 -4.536 -4.758 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.955 -5.562 -4.986 1.00 0.00 C ATOM 1013 C HIS A 60 -3.340 -4.939 -5.147 1.00 0.00 C ATOM 1014 O HIS A 60 -4.224 -5.544 -5.756 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.970 -6.535 -3.798 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.106 -7.729 -4.108 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.184 -7.601 -4.602 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -1.333 -9.080 -4.001 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.677 -8.841 -4.772 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -0.206 -9.779 -4.422 1.00 0.00 N ATOM 0 H HIS A 60 -0.705 -4.398 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.708 -6.093 -5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.606 -6.034 -2.901 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.991 -6.857 -3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.247 -9.531 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.668 -9.052 -5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.081 -10.791 -4.456 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.534 -3.740 -4.614 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.828 -3.067 -4.727 1.00 0.00 C ATOM 1031 C LEU A 61 -4.641 -1.694 -5.353 1.00 0.00 C ATOM 1032 O LEU A 61 -5.460 -1.240 -6.152 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.480 -2.923 -3.342 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.807 -3.867 -2.338 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.557 -3.196 -1.756 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.787 -4.180 -1.206 1.00 0.00 C ATOM 0 H LEU A 61 -2.823 -3.216 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.481 -3.667 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.394 -1.893 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.544 -3.149 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.520 -4.789 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.081 -3.869 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.859 -2.967 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.842 -2.274 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.313 -4.851 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.071 -3.255 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.677 -4.658 -1.617 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.551 -1.044 -4.979 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.238 0.278 -5.494 1.00 0.00 C ATOM 1050 C ALA A 62 -3.165 0.277 -7.016 1.00 0.00 C ATOM 1051 O ALA A 62 -2.835 1.296 -7.618 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.893 0.741 -4.935 1.00 0.00 C ATOM 0 H ALA A 62 -2.866 -1.412 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.033 0.956 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.660 1.733 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.945 0.779 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.113 0.041 -5.236 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.472 -0.853 -7.645 1.00 0.00 N ATOM 1059 CA GLU A 63 -3.417 -0.909 -9.103 1.00 0.00 C ATOM 1060 C GLU A 63 -4.666 -0.279 -9.705 1.00 0.00 C ATOM 1061 O GLU A 63 -4.724 0.933 -9.894 1.00 0.00 O ATOM 1062 CB GLU A 63 -3.260 -2.353 -9.589 1.00 0.00 C ATOM 1063 CG GLU A 63 -2.044 -3.004 -8.915 1.00 0.00 C ATOM 1064 CD GLU A 63 -0.998 -3.386 -9.959 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -0.662 -4.557 -10.032 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -0.548 -2.502 -10.670 1.00 0.00 O ATOM 0 H GLU A 63 -3.754 -1.719 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.546 -0.343 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.161 -2.922 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.138 -2.370 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.609 -2.315 -8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.357 -3.890 -8.363 1.00 0.00 H new ATOM 1073 N SER A 64 -5.648 -1.116 -10.002 1.00 0.00 N ATOM 1074 CA SER A 64 -6.917 -0.670 -10.589 1.00 0.00 C ATOM 1075 C SER A 64 -6.988 0.853 -10.738 1.00 0.00 C ATOM 1076 O SER A 64 -7.039 1.371 -11.854 1.00 0.00 O ATOM 1077 CB SER A 64 -8.081 -1.146 -9.721 1.00 0.00 C ATOM 1078 OG SER A 64 -9.306 -0.873 -10.387 1.00 0.00 O ATOM 0 H SER A 64 -5.595 -2.123 -9.846 1.00 0.00 H new ATOM 0 HA SER A 64 -6.982 -1.104 -11.587 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.990 -2.214 -9.525 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.059 -0.642 -8.755 1.00 0.00 H new ATOM 0 HG SER A 64 -10.055 -1.179 -9.833 1.00 0.00 H new ATOM 1084 N LEU A 65 -7.010 1.565 -9.612 1.00 0.00 N ATOM 1085 CA LEU A 65 -7.096 3.025 -9.641 1.00 0.00 C ATOM 1086 C LEU A 65 -6.216 3.600 -10.749 1.00 0.00 C ATOM 1087 O LEU A 65 -6.554 4.620 -11.352 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.684 3.609 -8.284 1.00 0.00 C ATOM 1089 CG LEU A 65 -6.728 5.145 -8.335 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.104 5.615 -8.823 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.469 5.714 -6.933 1.00 0.00 C ATOM 0 H LEU A 65 -6.970 1.160 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.130 3.301 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.352 3.244 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.679 3.275 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.961 5.498 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.126 6.704 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.291 5.218 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.874 5.257 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.500 6.803 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.235 5.352 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.488 5.391 -6.585 1.00 0.00 H new ATOM 1103 N TYR A 66 -5.091 2.942 -11.016 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.173 3.397 -12.061 1.00 0.00 C ATOM 1105 C TYR A 66 -4.056 2.339 -13.152 1.00 0.00 C ATOM 1106 O TYR A 66 -4.758 1.328 -13.129 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.778 3.654 -11.481 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.872 4.466 -10.209 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.468 5.807 -10.203 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.345 3.873 -9.035 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.538 6.554 -9.021 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.419 4.620 -7.851 1.00 0.00 C ATOM 1113 CZ TYR A 66 -3.014 5.961 -7.845 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.085 6.698 -6.680 1.00 0.00 O ATOM 0 H TYR A 66 -4.793 2.097 -10.528 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.571 4.322 -12.477 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.282 2.705 -11.277 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.166 4.183 -12.212 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.102 6.265 -11.110 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.654 2.838 -9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.225 7.588 -9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.788 4.162 -6.945 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.438 6.136 -5.959 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.161 2.577 -14.106 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.959 1.635 -15.200 1.00 0.00 C ATOM 1126 C GLU A 67 -2.163 0.426 -14.721 1.00 0.00 C ATOM 1127 O GLU A 67 -2.290 -0.670 -15.269 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.212 2.320 -16.347 1.00 0.00 C ATOM 1129 CG GLU A 67 -0.851 2.811 -15.850 1.00 0.00 C ATOM 1130 CD GLU A 67 -0.257 3.796 -16.850 1.00 0.00 C ATOM 1131 OE1 GLU A 67 0.939 3.726 -17.081 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -1.005 4.608 -17.370 1.00 0.00 O ATOM 0 H GLU A 67 -2.569 3.407 -14.144 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.934 1.299 -15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.079 1.624 -17.175 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.796 3.158 -16.726 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.961 3.289 -14.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.177 1.965 -15.715 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.343 0.632 -13.695 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.531 -0.449 -13.148 1.00 0.00 C ATOM 1141 C GLY A 68 0.657 0.104 -12.367 1.00 0.00 C ATOM 1142 O GLY A 68 1.764 0.206 -12.894 1.00 0.00 O ATOM 0 H GLY A 68 -1.224 1.531 -13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.141 -1.073 -12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.174 -1.087 -13.957 1.00 0.00 H new ATOM 1146 N ILE A 69 0.420 0.459 -11.107 1.00 0.00 N ATOM 1147 CA ILE A 69 1.479 1.001 -10.263 1.00 0.00 C ATOM 1148 C ILE A 69 2.759 0.188 -10.417 1.00 0.00 C ATOM 1149 O ILE A 69 2.716 -1.020 -10.647 1.00 0.00 O ATOM 1150 CB ILE A 69 1.043 0.977 -8.797 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.201 1.857 -8.607 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.181 1.486 -7.908 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.173 3.346 -8.586 1.00 0.00 C ATOM 0 H ILE A 69 -0.489 0.382 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 69 1.670 2.028 -10.574 1.00 0.00 H new ATOM 0 HB ILE A 69 0.800 -0.047 -8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.910 1.668 -9.413 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.700 1.591 -7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.865 1.467 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.055 0.847 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.435 2.508 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.727 3.945 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.863 3.536 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.649 3.615 -9.529 1.00 0.00 H new ATOM 1165 N LYS A 70 3.898 0.859 -10.280 1.00 0.00 N ATOM 1166 CA LYS A 70 5.187 0.188 -10.397 1.00 0.00 C ATOM 1167 C LYS A 70 5.592 -0.417 -9.057 1.00 0.00 C ATOM 1168 O LYS A 70 6.149 -1.513 -9.004 1.00 0.00 O ATOM 1169 CB LYS A 70 6.258 1.185 -10.856 1.00 0.00 C ATOM 1170 CG LYS A 70 7.454 0.425 -11.447 1.00 0.00 C ATOM 1171 CD LYS A 70 7.222 0.172 -12.941 1.00 0.00 C ATOM 1172 CE LYS A 70 8.115 -0.977 -13.415 1.00 0.00 C ATOM 1173 NZ LYS A 70 7.519 -2.277 -12.991 1.00 0.00 N ATOM 0 H LYS A 70 3.955 1.859 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 70 5.098 -0.610 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.842 1.863 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.583 1.797 -10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.369 1.000 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.588 -0.522 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.175 -0.071 -13.120 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.442 1.075 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.218 -0.948 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.116 -0.870 -12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.970 -3.053 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.673 -2.413 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.498 -2.272 -13.189 1.00 0.00 H new ATOM 1187 N SER A 71 5.299 0.304 -7.977 1.00 0.00 N ATOM 1188 CA SER A 71 5.629 -0.169 -6.636 1.00 0.00 C ATOM 1189 C SER A 71 5.150 0.828 -5.580 1.00 0.00 C ATOM 1190 O SER A 71 4.568 1.863 -5.905 1.00 0.00 O ATOM 1191 CB SER A 71 7.144 -0.369 -6.502 1.00 0.00 C ATOM 1192 OG SER A 71 7.395 -1.492 -5.668 1.00 0.00 O ATOM 0 H SER A 71 4.836 1.213 -8.004 1.00 0.00 H new ATOM 0 HA SER A 71 5.124 -1.122 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.591 -0.523 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.605 0.524 -6.079 1.00 0.00 H new ATOM 0 HG SER A 71 8.362 -1.625 -5.581 1.00 0.00 H new ATOM 1198 N VAL A 72 5.415 0.508 -4.317 1.00 0.00 N ATOM 1199 CA VAL A 72 5.028 1.374 -3.204 1.00 0.00 C ATOM 1200 C VAL A 72 6.050 1.253 -2.077 1.00 0.00 C ATOM 1201 O VAL A 72 6.624 0.185 -1.863 1.00 0.00 O ATOM 1202 CB VAL A 72 3.640 0.985 -2.688 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.180 1.998 -1.638 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.646 0.973 -3.851 1.00 0.00 C ATOM 0 H VAL A 72 5.897 -0.346 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 72 4.997 2.406 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 72 3.688 -0.007 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.192 1.719 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.886 2.007 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.134 2.991 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.658 0.696 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.600 1.965 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.970 0.250 -4.599 1.00 0.00 H new ATOM 1214 N ASN A 73 6.285 2.353 -1.365 1.00 0.00 N ATOM 1215 CA ASN A 73 7.257 2.342 -0.275 1.00 0.00 C ATOM 1216 C ASN A 73 7.156 3.598 0.588 1.00 0.00 C ATOM 1217 O ASN A 73 6.578 4.608 0.184 1.00 0.00 O ATOM 1218 CB ASN A 73 8.670 2.232 -0.848 1.00 0.00 C ATOM 1219 CG ASN A 73 9.645 1.790 0.239 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.310 0.822 1.048 1.00 0.00 O flip ATOM 1221 ND2 ASN A 73 10.739 2.342 0.355 1.00 0.00 N flip ATOM 0 H ASN A 73 5.824 3.250 -1.519 1.00 0.00 H new ATOM 0 HA ASN A 73 7.038 1.481 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.682 1.517 -1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.981 3.194 -1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.998 3.098 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.386 2.043 1.085 1.00 0.00 H new ATOM 1228 N PHE A 74 7.733 3.511 1.784 1.00 0.00 N ATOM 1229 CA PHE A 74 7.727 4.623 2.730 1.00 0.00 C ATOM 1230 C PHE A 74 9.079 4.707 3.434 1.00 0.00 C ATOM 1231 O PHE A 74 9.740 3.689 3.643 1.00 0.00 O ATOM 1232 CB PHE A 74 6.610 4.427 3.770 1.00 0.00 C ATOM 1233 CG PHE A 74 5.987 3.059 3.598 1.00 0.00 C ATOM 1234 CD1 PHE A 74 4.652 2.941 3.193 1.00 0.00 C ATOM 1235 CD2 PHE A 74 6.748 1.910 3.844 1.00 0.00 C ATOM 1236 CE1 PHE A 74 4.078 1.674 3.035 1.00 0.00 C ATOM 1237 CE2 PHE A 74 6.174 0.643 3.685 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.839 0.524 3.281 1.00 0.00 C ATOM 0 H PHE A 74 8.213 2.677 2.122 1.00 0.00 H new ATOM 0 HA PHE A 74 7.545 5.550 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.015 4.529 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.851 5.200 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.065 3.827 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.778 2.001 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.048 1.583 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.762 -0.243 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.396 -0.453 3.159 1.00 0.00 H new ATOM 1248 N VAL A 75 9.491 5.921 3.792 1.00 0.00 N ATOM 1249 CA VAL A 75 10.775 6.109 4.465 1.00 0.00 C ATOM 1250 C VAL A 75 10.772 7.395 5.292 1.00 0.00 C ATOM 1251 O VAL A 75 9.721 7.997 5.517 1.00 0.00 O ATOM 1252 CB VAL A 75 11.907 6.151 3.426 1.00 0.00 C ATOM 1253 CG1 VAL A 75 12.642 4.807 3.394 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.323 6.440 2.041 1.00 0.00 C ATOM 0 H VAL A 75 8.963 6.779 3.631 1.00 0.00 H new ATOM 0 HA VAL A 75 10.938 5.269 5.141 1.00 0.00 H new ATOM 0 HB VAL A 75 12.609 6.938 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.442 4.847 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.066 4.601 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.942 4.015 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.127 6.469 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.615 5.655 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.810 7.402 2.056 1.00 0.00 H new ATOM 1264 N ASN A 76 11.954 7.802 5.753 1.00 0.00 N ATOM 1265 CA ASN A 76 12.079 9.010 6.567 1.00 0.00 C ATOM 1266 C ASN A 76 12.250 10.254 5.697 1.00 0.00 C ATOM 1267 O ASN A 76 12.609 10.167 4.522 1.00 0.00 O ATOM 1268 CB ASN A 76 13.274 8.884 7.521 1.00 0.00 C ATOM 1269 CG ASN A 76 14.280 7.875 6.974 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.932 6.720 6.730 1.00 0.00 O ATOM 1271 ND2 ASN A 76 15.513 8.245 6.767 1.00 0.00 N ATOM 0 H ASN A 76 12.834 7.316 5.578 1.00 0.00 H new ATOM 0 HA ASN A 76 11.160 9.117 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.753 9.855 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.931 8.569 8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.192 7.577 6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.799 9.203 6.970 1.00 0.00 H new ATOM 1278 N GLU A 77 11.972 11.406 6.295 1.00 0.00 N ATOM 1279 CA GLU A 77 12.070 12.686 5.600 1.00 0.00 C ATOM 1280 C GLU A 77 13.275 12.728 4.662 1.00 0.00 C ATOM 1281 O GLU A 77 13.119 12.736 3.441 1.00 0.00 O ATOM 1282 CB GLU A 77 12.173 13.825 6.629 1.00 0.00 C ATOM 1283 CG GLU A 77 11.207 14.957 6.261 1.00 0.00 C ATOM 1284 CD GLU A 77 11.611 15.580 4.929 1.00 0.00 C ATOM 1285 OE1 GLU A 77 11.881 14.831 4.004 1.00 0.00 O ATOM 1286 OE2 GLU A 77 11.643 16.796 4.851 1.00 0.00 O ATOM 0 H GLU A 77 11.674 11.481 7.268 1.00 0.00 H new ATOM 0 HA GLU A 77 11.172 12.810 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.941 13.448 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.194 14.204 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.190 14.571 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.211 15.717 7.042 1.00 0.00 H new ATOM 1293 N GLN A 78 14.474 12.774 5.234 1.00 0.00 N ATOM 1294 CA GLN A 78 15.690 12.838 4.432 1.00 0.00 C ATOM 1295 C GLN A 78 15.639 11.826 3.297 1.00 0.00 C ATOM 1296 O GLN A 78 15.807 12.176 2.130 1.00 0.00 O ATOM 1297 CB GLN A 78 16.914 12.566 5.311 1.00 0.00 C ATOM 1298 CG GLN A 78 17.229 13.808 6.149 1.00 0.00 C ATOM 1299 CD GLN A 78 16.015 14.188 6.992 1.00 0.00 C ATOM 1300 OE1 GLN A 78 15.339 13.315 7.536 1.00 0.00 O ATOM 1301 NE2 GLN A 78 15.699 15.446 7.134 1.00 0.00 N ATOM 0 H GLN A 78 14.629 12.768 6.242 1.00 0.00 H new ATOM 0 HA GLN A 78 15.767 13.838 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.724 11.713 5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.771 12.307 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 78 18.085 13.614 6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 78 17.504 14.637 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.261 16.167 6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.890 15.708 7.697 1.00 0.00 H new ATOM 1310 N ASP A 79 15.410 10.571 3.650 1.00 0.00 N ATOM 1311 CA ASP A 79 15.342 9.515 2.647 1.00 0.00 C ATOM 1312 C ASP A 79 14.379 9.911 1.529 1.00 0.00 C ATOM 1313 O ASP A 79 14.798 10.155 0.393 1.00 0.00 O ATOM 1314 CB ASP A 79 14.888 8.207 3.296 1.00 0.00 C ATOM 1315 CG ASP A 79 16.081 7.489 3.920 1.00 0.00 C ATOM 1316 OD1 ASP A 79 16.885 8.156 4.549 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.172 6.283 3.757 1.00 0.00 O ATOM 0 H ASP A 79 15.269 10.259 4.611 1.00 0.00 H new ATOM 0 HA ASP A 79 16.334 9.371 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.137 8.412 4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.417 7.566 2.550 1.00 0.00 H new ATOM 1322 N PHE A 80 13.090 9.989 1.853 1.00 0.00 N ATOM 1323 CA PHE A 80 12.090 10.374 0.862 1.00 0.00 C ATOM 1324 C PHE A 80 12.626 11.525 0.018 1.00 0.00 C ATOM 1325 O PHE A 80 12.526 11.511 -1.209 1.00 0.00 O ATOM 1326 CB PHE A 80 10.793 10.804 1.565 1.00 0.00 C ATOM 1327 CG PHE A 80 10.107 11.889 0.762 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.695 11.631 -0.550 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.888 13.152 1.327 1.00 0.00 C ATOM 1330 CE1 PHE A 80 9.064 12.632 -1.296 1.00 0.00 C ATOM 1331 CE2 PHE A 80 9.256 14.153 0.581 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.844 13.894 -0.731 1.00 0.00 C ATOM 0 H PHE A 80 12.718 9.793 2.782 1.00 0.00 H new ATOM 0 HA PHE A 80 11.877 9.521 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.129 9.947 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.016 11.168 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.864 10.658 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.207 13.353 2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.746 12.431 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.086 15.126 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.357 14.667 -1.307 1.00 0.00 H new ATOM 1342 N PHE A 81 13.202 12.517 0.689 1.00 0.00 N ATOM 1343 CA PHE A 81 13.757 13.666 -0.006 1.00 0.00 C ATOM 1344 C PHE A 81 14.757 13.203 -1.058 1.00 0.00 C ATOM 1345 O PHE A 81 14.542 13.391 -2.253 1.00 0.00 O ATOM 1346 CB PHE A 81 14.443 14.607 0.992 1.00 0.00 C ATOM 1347 CG PHE A 81 14.331 16.031 0.495 1.00 0.00 C ATOM 1348 CD1 PHE A 81 13.071 16.633 0.383 1.00 0.00 C ATOM 1349 CD2 PHE A 81 15.482 16.746 0.140 1.00 0.00 C ATOM 1350 CE1 PHE A 81 12.963 17.948 -0.085 1.00 0.00 C ATOM 1351 CE2 PHE A 81 15.373 18.061 -0.327 1.00 0.00 C ATOM 1352 CZ PHE A 81 14.113 18.663 -0.440 1.00 0.00 C ATOM 0 H PHE A 81 13.295 12.546 1.704 1.00 0.00 H new ATOM 0 HA PHE A 81 12.948 14.206 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.979 14.515 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.491 14.331 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.183 16.083 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 81 16.454 16.283 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.991 18.411 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 81 16.261 18.612 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.029 19.678 -0.801 1.00 0.00 H new ATOM 1362 N PHE A 82 15.851 12.593 -0.600 1.00 0.00 N ATOM 1363 CA PHE A 82 16.884 12.099 -1.508 1.00 0.00 C ATOM 1364 C PHE A 82 16.266 11.627 -2.819 1.00 0.00 C ATOM 1365 O PHE A 82 16.845 11.809 -3.890 1.00 0.00 O ATOM 1366 CB PHE A 82 17.643 10.942 -0.857 1.00 0.00 C ATOM 1367 CG PHE A 82 18.871 10.623 -1.676 1.00 0.00 C ATOM 1368 CD1 PHE A 82 20.037 11.380 -1.514 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.843 9.569 -2.598 1.00 0.00 C ATOM 1370 CE1 PHE A 82 21.176 11.084 -2.274 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.981 9.274 -3.358 1.00 0.00 C ATOM 1372 CZ PHE A 82 21.148 10.031 -3.196 1.00 0.00 C ATOM 0 H PHE A 82 16.043 12.430 0.388 1.00 0.00 H new ATOM 0 HA PHE A 82 17.575 12.916 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.930 11.208 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.000 10.064 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 82 20.059 12.193 -0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.944 8.984 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 82 22.076 11.668 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.959 8.462 -4.070 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.026 9.803 -3.782 1.00 0.00 H new ATOM 1382 N ASN A 83 15.078 11.036 -2.729 1.00 0.00 N ATOM 1383 CA ASN A 83 14.388 10.561 -3.923 1.00 0.00 C ATOM 1384 C ASN A 83 13.809 11.744 -4.695 1.00 0.00 C ATOM 1385 O ASN A 83 14.020 11.878 -5.900 1.00 0.00 O ATOM 1386 CB ASN A 83 13.259 9.602 -3.537 1.00 0.00 C ATOM 1387 CG ASN A 83 12.785 8.834 -4.765 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.346 7.791 -5.100 1.00 0.00 O ATOM 1389 ND2 ASN A 83 11.780 9.290 -5.461 1.00 0.00 N ATOM 0 H ASN A 83 14.579 10.876 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 83 15.105 10.033 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.607 8.905 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.429 10.160 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.458 8.782 -6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.317 10.155 -5.181 1.00 0.00 H new ATOM 1396 N LEU A 84 13.079 12.596 -3.983 1.00 0.00 N ATOM 1397 CA LEU A 84 12.466 13.770 -4.591 1.00 0.00 C ATOM 1398 C LEU A 84 13.516 14.845 -4.849 1.00 0.00 C ATOM 1399 O LEU A 84 13.306 15.755 -5.650 1.00 0.00 O ATOM 1400 CB LEU A 84 11.379 14.315 -3.655 1.00 0.00 C ATOM 1401 CG LEU A 84 10.837 15.649 -4.180 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.284 15.460 -5.595 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.713 16.131 -3.258 1.00 0.00 C ATOM 0 H LEU A 84 12.898 12.495 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 84 12.020 13.487 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.567 13.593 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.788 14.451 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 84 11.641 16.385 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.899 16.410 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.079 15.109 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.479 14.726 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.323 17.080 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.913 15.391 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.103 16.265 -2.249 1.00 0.00 H new ATOM 1415 N ALA A 85 14.649 14.735 -4.165 1.00 0.00 N ATOM 1416 CA ALA A 85 15.722 15.708 -4.329 1.00 0.00 C ATOM 1417 C ALA A 85 16.623 15.323 -5.497 1.00 0.00 C ATOM 1418 O ALA A 85 17.056 16.179 -6.269 1.00 0.00 O ATOM 1419 CB ALA A 85 16.549 15.795 -3.045 1.00 0.00 C ATOM 0 H ALA A 85 14.847 13.989 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 85 15.276 16.680 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.349 16.524 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.908 16.104 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.981 14.819 -2.823 1.00 0.00 H new ATOM 1425 N LYS A 86 16.906 14.030 -5.617 1.00 0.00 N ATOM 1426 CA LYS A 86 17.761 13.539 -6.690 1.00 0.00 C ATOM 1427 C LYS A 86 17.032 13.592 -8.031 1.00 0.00 C ATOM 1428 O LYS A 86 17.360 14.405 -8.894 1.00 0.00 O ATOM 1429 CB LYS A 86 18.189 12.101 -6.396 1.00 0.00 C ATOM 1430 CG LYS A 86 19.187 11.635 -7.459 1.00 0.00 C ATOM 1431 CD LYS A 86 19.894 10.369 -6.973 1.00 0.00 C ATOM 1432 CE LYS A 86 20.787 9.822 -8.089 1.00 0.00 C ATOM 1433 NZ LYS A 86 19.939 9.172 -9.128 1.00 0.00 N ATOM 0 H LYS A 86 16.557 13.307 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 86 18.642 14.178 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 86 18.642 12.041 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.318 11.446 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.669 11.438 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.917 12.420 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.493 10.591 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.159 9.619 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.370 10.630 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.498 9.103 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.536 8.586 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.224 8.573 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.465 9.903 -9.696 1.00 0.00 H new