USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.59 F(o=-2.5!,f=-1.6) USER MOD Single : A 34 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.2) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.433 F(o=-1.4,f=-0.43) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 42 THR OG1 : rot 140:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0615 (180deg=-0.266) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= 1.18 (180deg=-0.33) USER MOD Single : A 55 GLN : amide:sc= -0.88 K(o=-0.88,f=-3.7!) USER MOD Single : A 56 THR OG1 : rot 62:sc= 0.443 USER MOD Single : A 57 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.041) USER MOD Single : A 58 SER OG : rot -3:sc= 0.696 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 138:sc= 0.857 USER MOD Single : A 67 GLN : amide:sc= -0.133 X(o=-0.13,f=0.12) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 81:sc= 0.249 USER MOD Single : A 89 SER OG : rot -170:sc= 0 USER MOD Single : A 90 MET CE :methyl -147:sc= -1.78 (180deg=-5.15!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.44) USER MOD Single : A 94 CYS SG : rot 31:sc= -2.02! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.508 USER MOD Single : A 103 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 2.870 -1.567 -3.662 1.00 0.00 N ATOM 2 CA GLU A 21 3.915 -1.420 -2.616 1.00 0.00 C ATOM 3 C GLU A 21 4.366 -2.814 -2.154 1.00 0.00 C ATOM 4 O GLU A 21 5.553 -3.150 -2.224 1.00 0.00 O ATOM 5 CB GLU A 21 3.412 -0.575 -1.400 1.00 0.00 C ATOM 6 CG GLU A 21 3.127 0.918 -1.697 1.00 0.00 C ATOM 7 CD GLU A 21 1.993 1.128 -2.716 1.00 0.00 C ATOM 8 OE1 GLU A 21 0.814 0.951 -2.349 1.00 0.00 O ATOM 9 OE2 GLU A 21 2.282 1.398 -3.902 1.00 0.00 O ATOM 0 HA GLU A 21 4.759 -0.882 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.500 -1.031 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.157 -0.634 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.869 1.424 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.036 1.387 -2.073 1.00 0.00 H new ATOM 16 N LYS A 22 3.401 -3.621 -1.696 1.00 0.00 N ATOM 17 CA LYS A 22 3.634 -5.019 -1.278 1.00 0.00 C ATOM 18 C LYS A 22 2.409 -5.874 -1.630 1.00 0.00 C ATOM 19 O LYS A 22 1.319 -5.337 -1.870 1.00 0.00 O ATOM 20 CB LYS A 22 3.975 -5.090 0.250 1.00 0.00 C ATOM 21 CG LYS A 22 2.862 -4.573 1.210 1.00 0.00 C ATOM 22 CD LYS A 22 1.808 -5.647 1.591 1.00 0.00 C ATOM 23 CE LYS A 22 0.526 -5.026 2.158 1.00 0.00 C ATOM 24 NZ LYS A 22 0.763 -4.279 3.428 1.00 0.00 N ATOM 0 H LYS A 22 2.429 -3.326 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 22 4.493 -5.419 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.200 -6.125 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.882 -4.513 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.328 -4.197 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.354 -3.731 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.563 -6.241 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.236 -6.328 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.096 -4.351 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.207 -5.813 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.135 -3.880 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.148 -4.927 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.441 -3.510 3.257 1.00 0.00 H new ATOM 38 N VAL A 23 2.589 -7.201 -1.628 1.00 0.00 N ATOM 39 CA VAL A 23 1.494 -8.161 -1.776 1.00 0.00 C ATOM 40 C VAL A 23 1.896 -9.487 -1.093 1.00 0.00 C ATOM 41 O VAL A 23 3.009 -9.992 -1.309 1.00 0.00 O ATOM 42 CB VAL A 23 1.079 -8.357 -3.296 1.00 0.00 C ATOM 43 CG1 VAL A 23 2.177 -9.050 -4.154 1.00 0.00 C ATOM 44 CG2 VAL A 23 -0.286 -9.068 -3.409 1.00 0.00 C ATOM 0 H VAL A 23 3.504 -7.638 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 23 0.603 -7.772 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 23 0.974 -7.359 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.826 -9.152 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.085 -8.447 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.390 -10.037 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.547 -9.190 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.227 -10.047 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.050 -8.470 -2.913 1.00 0.00 H new ATOM 54 N THR A 24 1.014 -10.004 -0.222 1.00 0.00 N ATOM 55 CA THR A 24 1.256 -11.237 0.534 1.00 0.00 C ATOM 56 C THR A 24 1.265 -12.448 -0.420 1.00 0.00 C ATOM 57 O THR A 24 0.228 -12.799 -0.988 1.00 0.00 O ATOM 58 CB THR A 24 0.157 -11.419 1.635 1.00 0.00 C ATOM 59 OG1 THR A 24 0.090 -10.230 2.442 1.00 0.00 O ATOM 60 CG2 THR A 24 0.406 -12.636 2.543 1.00 0.00 C ATOM 0 H THR A 24 0.110 -9.574 -0.024 1.00 0.00 H new ATOM 0 HA THR A 24 2.229 -11.168 1.021 1.00 0.00 H new ATOM 0 HB THR A 24 -0.786 -11.594 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.598 -10.341 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.390 -12.706 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.421 -13.543 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.364 -12.522 3.050 1.00 0.00 H new ATOM 68 N LEU A 25 2.443 -13.059 -0.614 1.00 0.00 N ATOM 69 CA LEU A 25 2.582 -14.226 -1.492 1.00 0.00 C ATOM 70 C LEU A 25 2.052 -15.471 -0.763 1.00 0.00 C ATOM 71 O LEU A 25 2.707 -16.015 0.130 1.00 0.00 O ATOM 72 CB LEU A 25 4.057 -14.400 -1.946 1.00 0.00 C ATOM 73 CG LEU A 25 4.625 -13.238 -2.831 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.093 -13.499 -3.232 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.739 -12.979 -4.081 1.00 0.00 C ATOM 0 H LEU A 25 3.314 -12.762 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 25 1.991 -14.079 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.684 -14.500 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.141 -15.333 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 25 4.603 -12.333 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.455 -12.674 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.706 -13.581 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.156 -14.427 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.167 -12.166 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.695 -13.882 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.733 -12.706 -3.763 1.00 0.00 H new ATOM 87 N VAL A 26 0.837 -15.878 -1.136 1.00 0.00 N ATOM 88 CA VAL A 26 0.145 -17.011 -0.532 1.00 0.00 C ATOM 89 C VAL A 26 0.434 -18.267 -1.353 1.00 0.00 C ATOM 90 O VAL A 26 0.085 -18.346 -2.532 1.00 0.00 O ATOM 91 CB VAL A 26 -1.403 -16.758 -0.467 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.171 -17.991 0.076 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.734 -15.482 0.351 1.00 0.00 C ATOM 0 H VAL A 26 0.302 -15.422 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 26 0.507 -17.141 0.488 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.742 -16.594 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.238 -17.772 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.993 -18.846 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.822 -18.223 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.814 -15.336 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.359 -15.595 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.262 -14.618 -0.116 1.00 0.00 H new ATOM 103 N ARG A 27 1.095 -19.227 -0.714 1.00 0.00 N ATOM 104 CA ARG A 27 1.401 -20.531 -1.306 1.00 0.00 C ATOM 105 C ARG A 27 0.193 -21.465 -1.183 1.00 0.00 C ATOM 106 O ARG A 27 -0.744 -21.179 -0.426 1.00 0.00 O ATOM 107 CB ARG A 27 2.629 -21.142 -0.595 1.00 0.00 C ATOM 108 CG ARG A 27 3.892 -20.252 -0.661 1.00 0.00 C ATOM 109 CD ARG A 27 4.984 -20.717 0.310 1.00 0.00 C ATOM 110 NE ARG A 27 4.492 -20.715 1.706 1.00 0.00 N ATOM 111 CZ ARG A 27 5.009 -21.409 2.728 1.00 0.00 C ATOM 112 NH1 ARG A 27 6.089 -22.161 2.573 1.00 0.00 N ATOM 113 NH2 ARG A 27 4.429 -21.347 3.910 1.00 0.00 N ATOM 0 H ARG A 27 1.439 -19.123 0.241 1.00 0.00 H new ATOM 0 HA ARG A 27 1.628 -20.402 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.379 -21.325 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.853 -22.110 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.286 -20.259 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.620 -19.222 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.313 -21.720 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.852 -20.063 0.226 1.00 0.00 H new ATOM 0 HE ARG A 27 3.682 -20.129 1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.543 -22.219 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.466 -22.681 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.595 -20.774 4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.814 -21.872 4.695 1.00 0.00 H new ATOM 127 N ILE A 28 0.235 -22.583 -1.925 1.00 0.00 N ATOM 128 CA ILE A 28 -0.766 -23.668 -1.817 1.00 0.00 C ATOM 129 C ILE A 28 -0.850 -24.188 -0.364 1.00 0.00 C ATOM 130 O ILE A 28 -1.937 -24.451 0.141 1.00 0.00 O ATOM 131 CB ILE A 28 -0.444 -24.845 -2.812 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.522 -25.987 -2.719 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.998 -25.388 -2.605 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.386 -27.090 -3.762 1.00 0.00 C ATOM 0 H ILE A 28 0.961 -22.765 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.737 -23.256 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.490 -24.443 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.468 -26.437 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.512 -25.540 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.186 -26.199 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.717 -24.586 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.104 -25.760 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.174 -27.829 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.473 -26.660 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.413 -27.571 -3.658 1.00 0.00 H new ATOM 146 N ALA A 29 0.321 -24.255 0.302 1.00 0.00 N ATOM 147 CA ALA A 29 0.445 -24.674 1.709 1.00 0.00 C ATOM 148 C ALA A 29 -0.388 -23.765 2.638 1.00 0.00 C ATOM 149 O ALA A 29 -1.172 -24.257 3.466 1.00 0.00 O ATOM 150 CB ALA A 29 1.928 -24.685 2.130 1.00 0.00 C ATOM 0 H ALA A 29 1.215 -24.017 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 29 0.050 -25.686 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.008 -24.996 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.480 -25.382 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.346 -23.685 2.017 1.00 0.00 H new ATOM 156 N ASP A 30 -0.243 -22.436 2.440 1.00 0.00 N ATOM 157 CA ASP A 30 -0.942 -21.400 3.241 1.00 0.00 C ATOM 158 C ASP A 30 -2.451 -21.433 2.981 1.00 0.00 C ATOM 159 O ASP A 30 -3.257 -21.261 3.904 1.00 0.00 O ATOM 160 CB ASP A 30 -0.384 -19.990 2.925 1.00 0.00 C ATOM 161 CG ASP A 30 1.140 -19.880 3.118 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.661 -20.375 4.140 1.00 0.00 O ATOM 163 OD2 ASP A 30 1.827 -19.311 2.241 1.00 0.00 O ATOM 0 H ASP A 30 0.364 -22.048 1.718 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.764 -21.620 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.632 -19.731 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.878 -19.259 3.566 1.00 0.00 H new ATOM 168 N LEU A 31 -2.795 -21.690 1.712 1.00 0.00 N ATOM 169 CA LEU A 31 -4.181 -21.760 1.222 1.00 0.00 C ATOM 170 C LEU A 31 -4.974 -22.852 1.976 1.00 0.00 C ATOM 171 O LEU A 31 -6.101 -22.628 2.423 1.00 0.00 O ATOM 172 CB LEU A 31 -4.153 -22.059 -0.306 1.00 0.00 C ATOM 173 CG LEU A 31 -5.520 -22.044 -1.061 1.00 0.00 C ATOM 174 CD1 LEU A 31 -6.103 -20.617 -1.126 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.382 -22.666 -2.472 1.00 0.00 C ATOM 0 H LEU A 31 -2.104 -21.859 0.981 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.681 -20.808 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.497 -21.330 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.698 -23.039 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.222 -22.659 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.055 -20.637 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.259 -20.241 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.407 -19.963 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.348 -22.643 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.657 -22.095 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.044 -23.698 -2.383 1.00 0.00 H new ATOM 187 N GLU A 32 -4.331 -24.021 2.127 1.00 0.00 N ATOM 188 CA GLU A 32 -4.921 -25.214 2.763 1.00 0.00 C ATOM 189 C GLU A 32 -5.055 -25.051 4.291 1.00 0.00 C ATOM 190 O GLU A 32 -6.135 -25.291 4.853 1.00 0.00 O ATOM 191 CB GLU A 32 -4.040 -26.448 2.444 1.00 0.00 C ATOM 192 CG GLU A 32 -3.883 -26.747 0.941 1.00 0.00 C ATOM 193 CD GLU A 32 -2.780 -27.779 0.649 1.00 0.00 C ATOM 194 OE1 GLU A 32 -1.608 -27.509 0.988 1.00 0.00 O ATOM 195 OE2 GLU A 32 -3.075 -28.862 0.107 1.00 0.00 O ATOM 0 H GLU A 32 -3.374 -24.168 1.807 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.925 -25.348 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.051 -26.295 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.470 -27.322 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.831 -27.114 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.656 -25.821 0.413 1.00 0.00 H new ATOM 202 N ASN A 33 -3.955 -24.627 4.959 1.00 0.00 N ATOM 203 CA ASN A 33 -3.889 -24.621 6.439 1.00 0.00 C ATOM 204 C ASN A 33 -4.798 -23.536 7.050 1.00 0.00 C ATOM 205 O ASN A 33 -5.356 -23.743 8.133 1.00 0.00 O ATOM 206 CB ASN A 33 -2.429 -24.496 6.983 1.00 0.00 C ATOM 207 CG ASN A 33 -1.752 -23.131 6.781 1.00 0.00 C ATOM 208 OD1 ASN A 33 -0.741 -23.081 5.930 1.00 0.00 O flip ATOM 209 ND2 ASN A 33 -2.084 -22.147 7.446 1.00 0.00 N flip ATOM 0 H ASN A 33 -3.109 -24.288 4.501 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.263 -25.594 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.439 -24.721 8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.816 -25.259 6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.868 -22.211 8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.575 -21.269 7.346 1.00 0.00 H new ATOM 216 N HIS A 34 -4.950 -22.382 6.360 1.00 0.00 N ATOM 217 CA HIS A 34 -5.828 -21.287 6.840 1.00 0.00 C ATOM 218 C HIS A 34 -7.308 -21.657 6.656 1.00 0.00 C ATOM 219 O HIS A 34 -8.165 -21.226 7.435 1.00 0.00 O ATOM 220 CB HIS A 34 -5.518 -19.946 6.146 1.00 0.00 C ATOM 221 CG HIS A 34 -6.189 -18.765 6.810 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.344 -18.181 6.338 1.00 0.00 N ATOM 223 CD2 HIS A 34 -5.852 -18.071 7.923 1.00 0.00 C ATOM 224 CE1 HIS A 34 -7.680 -17.176 7.124 1.00 0.00 C ATOM 225 NE2 HIS A 34 -6.794 -17.087 8.094 1.00 0.00 N ATOM 0 H HIS A 34 -4.481 -22.185 5.476 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.626 -21.157 7.903 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.440 -19.788 6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.838 -20.000 5.105 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.859 -18.479 5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.999 -18.257 8.559 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.538 -16.534 6.994 1.00 0.00 H new ATOM 234 N ASN A 35 -7.597 -22.456 5.617 1.00 0.00 N ATOM 235 CA ASN A 35 -8.943 -23.006 5.388 1.00 0.00 C ATOM 236 C ASN A 35 -9.299 -24.007 6.507 1.00 0.00 C ATOM 237 O ASN A 35 -10.440 -24.046 6.974 1.00 0.00 O ATOM 238 CB ASN A 35 -9.026 -23.678 3.996 1.00 0.00 C ATOM 239 CG ASN A 35 -10.363 -24.380 3.699 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.476 -23.858 4.213 1.00 0.00 O flip ATOM 241 ND2 ASN A 35 -10.394 -25.398 3.009 1.00 0.00 N flip ATOM 0 H ASN A 35 -6.911 -22.737 4.917 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.667 -22.191 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.851 -22.921 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.221 -24.408 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.530 -25.781 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.284 -25.859 2.820 1.00 0.00 H new ATOM 248 N ASN A 36 -8.293 -24.798 6.931 1.00 0.00 N ATOM 249 CA ASN A 36 -8.418 -25.738 8.067 1.00 0.00 C ATOM 250 C ASN A 36 -8.641 -24.961 9.387 1.00 0.00 C ATOM 251 O ASN A 36 -9.357 -25.419 10.280 1.00 0.00 O ATOM 252 CB ASN A 36 -7.143 -26.611 8.178 1.00 0.00 C ATOM 253 CG ASN A 36 -7.202 -27.646 9.308 1.00 0.00 C ATOM 254 OD1 ASN A 36 -8.242 -28.249 9.561 1.00 0.00 O ATOM 255 ND2 ASN A 36 -6.097 -27.837 10.011 1.00 0.00 N ATOM 0 H ASN A 36 -7.370 -24.804 6.497 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.278 -26.384 7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.984 -27.128 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.282 -25.962 8.336 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.094 -28.500 10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.248 -27.322 9.777 1.00 0.00 H new ATOM 262 N ASP A 37 -8.016 -23.774 9.477 1.00 0.00 N ATOM 263 CA ASP A 37 -8.172 -22.840 10.622 1.00 0.00 C ATOM 264 C ASP A 37 -9.621 -22.312 10.696 1.00 0.00 C ATOM 265 O ASP A 37 -10.158 -22.100 11.790 1.00 0.00 O ATOM 266 CB ASP A 37 -7.141 -21.673 10.475 1.00 0.00 C ATOM 267 CG ASP A 37 -7.455 -20.401 11.301 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.131 -20.364 12.508 1.00 0.00 O ATOM 269 OD2 ASP A 37 -8.015 -19.425 10.734 1.00 0.00 O ATOM 0 H ASP A 37 -7.383 -23.427 8.756 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.973 -23.365 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.157 -22.041 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.079 -21.396 9.423 1.00 0.00 H new ATOM 274 N GLY A 38 -10.252 -22.130 9.524 1.00 0.00 N ATOM 275 CA GLY A 38 -11.646 -21.674 9.434 1.00 0.00 C ATOM 276 C GLY A 38 -11.843 -20.661 8.317 1.00 0.00 C ATOM 277 O GLY A 38 -12.939 -20.538 7.756 1.00 0.00 O ATOM 0 H GLY A 38 -9.812 -22.294 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.298 -22.531 9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.944 -21.229 10.383 1.00 0.00 H new ATOM 281 N GLY A 39 -10.762 -19.936 7.997 1.00 0.00 N ATOM 282 CA GLY A 39 -10.787 -18.915 6.959 1.00 0.00 C ATOM 283 C GLY A 39 -10.647 -19.512 5.570 1.00 0.00 C ATOM 284 O GLY A 39 -9.522 -19.787 5.123 1.00 0.00 O ATOM 0 H GLY A 39 -9.855 -20.045 8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.722 -18.357 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.979 -18.204 7.131 1.00 0.00 H new ATOM 288 N PHE A 40 -11.786 -19.706 4.878 1.00 0.00 N ATOM 289 CA PHE A 40 -11.804 -20.315 3.546 1.00 0.00 C ATOM 290 C PHE A 40 -11.313 -19.284 2.525 1.00 0.00 C ATOM 291 O PHE A 40 -11.979 -18.271 2.291 1.00 0.00 O ATOM 292 CB PHE A 40 -13.230 -20.816 3.160 1.00 0.00 C ATOM 293 CG PHE A 40 -13.292 -21.497 1.779 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.000 -22.852 1.634 1.00 0.00 C ATOM 295 CD2 PHE A 40 -13.613 -20.776 0.623 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.024 -23.462 0.394 1.00 0.00 C ATOM 297 CE2 PHE A 40 -13.642 -21.388 -0.616 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.346 -22.730 -0.731 1.00 0.00 C ATOM 0 H PHE A 40 -12.708 -19.446 5.228 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.146 -21.184 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.577 -21.518 3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.918 -19.971 3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -12.750 -23.436 2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.842 -19.723 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.791 -24.513 0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -13.897 -20.815 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.366 -23.207 -1.700 1.00 0.00 H new ATOM 308 N TRP A 41 -10.150 -19.563 1.932 1.00 0.00 N ATOM 309 CA TRP A 41 -9.570 -18.735 0.876 1.00 0.00 C ATOM 310 C TRP A 41 -9.893 -19.341 -0.496 1.00 0.00 C ATOM 311 O TRP A 41 -10.290 -20.511 -0.604 1.00 0.00 O ATOM 312 CB TRP A 41 -8.030 -18.614 1.050 1.00 0.00 C ATOM 313 CG TRP A 41 -7.561 -17.744 2.193 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.289 -16.837 2.903 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.233 -17.684 2.716 1.00 0.00 C ATOM 316 NE1 TRP A 41 -7.499 -16.228 3.838 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.230 -16.725 3.733 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.044 -18.350 2.414 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.086 -16.421 4.466 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -3.908 -18.045 3.137 1.00 0.00 C ATOM 321 CH2 TRP A 41 -3.933 -17.085 4.147 1.00 0.00 C ATOM 0 H TRP A 41 -9.582 -20.375 2.174 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.003 -17.737 0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.620 -19.614 1.188 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.609 -18.222 0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.338 -16.629 2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.806 -15.519 4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.013 -19.091 1.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.108 -15.687 5.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.984 -18.559 2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.025 -16.861 4.688 1.00 0.00 H new ATOM 332 N THR A 42 -9.703 -18.520 -1.532 1.00 0.00 N ATOM 333 CA THR A 42 -9.927 -18.893 -2.927 1.00 0.00 C ATOM 334 C THR A 42 -8.913 -18.142 -3.806 1.00 0.00 C ATOM 335 O THR A 42 -8.673 -16.945 -3.598 1.00 0.00 O ATOM 336 CB THR A 42 -11.402 -18.564 -3.367 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.673 -19.093 -4.674 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.705 -17.050 -3.360 1.00 0.00 C ATOM 0 H THR A 42 -9.383 -17.558 -1.420 1.00 0.00 H new ATOM 0 HA THR A 42 -9.787 -19.968 -3.044 1.00 0.00 H new ATOM 0 HB THR A 42 -12.051 -19.038 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.579 -19.466 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.736 -16.884 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.562 -16.655 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.031 -16.541 -4.049 1.00 0.00 H new ATOM 346 N VAL A 43 -8.272 -18.850 -4.744 1.00 0.00 N ATOM 347 CA VAL A 43 -7.372 -18.226 -5.719 1.00 0.00 C ATOM 348 C VAL A 43 -8.154 -17.960 -7.012 1.00 0.00 C ATOM 349 O VAL A 43 -8.475 -18.889 -7.758 1.00 0.00 O ATOM 350 CB VAL A 43 -6.123 -19.129 -6.016 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.190 -18.470 -7.066 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.361 -19.459 -4.708 1.00 0.00 C ATOM 0 H VAL A 43 -8.361 -19.861 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.001 -17.289 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.478 -20.068 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.334 -19.119 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.738 -18.319 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.841 -17.508 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.499 -20.086 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.023 -18.534 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.024 -19.990 -4.025 1.00 0.00 H new ATOM 362 N ILE A 44 -8.456 -16.683 -7.255 1.00 0.00 N ATOM 363 CA ILE A 44 -9.149 -16.222 -8.459 1.00 0.00 C ATOM 364 C ILE A 44 -8.229 -15.267 -9.224 1.00 0.00 C ATOM 365 O ILE A 44 -7.878 -14.196 -8.705 1.00 0.00 O ATOM 366 CB ILE A 44 -10.505 -15.500 -8.102 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.450 -16.459 -7.302 1.00 0.00 C ATOM 368 CG2 ILE A 44 -11.203 -14.962 -9.380 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.756 -15.838 -6.834 1.00 0.00 C ATOM 0 H ILE A 44 -8.222 -15.928 -6.610 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.391 -17.086 -9.078 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.277 -14.645 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.680 -17.322 -7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.911 -16.831 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.135 -14.469 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.548 -14.248 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.416 -15.791 -10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.339 -16.582 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.543 -14.994 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.324 -15.492 -7.697 1.00 0.00 H new ATOM 381 N ASP A 45 -7.807 -15.704 -10.430 1.00 0.00 N ATOM 382 CA ASP A 45 -7.009 -14.894 -11.380 1.00 0.00 C ATOM 383 C ASP A 45 -5.635 -14.501 -10.770 1.00 0.00 C ATOM 384 O ASP A 45 -5.082 -13.433 -11.048 1.00 0.00 O ATOM 385 CB ASP A 45 -7.854 -13.663 -11.843 1.00 0.00 C ATOM 386 CG ASP A 45 -7.232 -12.856 -12.996 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.035 -13.426 -14.091 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.948 -11.651 -12.815 1.00 0.00 O ATOM 0 H ASP A 45 -8.013 -16.641 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.775 -15.486 -12.265 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.840 -14.011 -12.151 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.002 -12.999 -10.991 1.00 0.00 H new ATOM 393 N GLY A 46 -5.099 -15.407 -9.930 1.00 0.00 N ATOM 394 CA GLY A 46 -3.783 -15.231 -9.301 1.00 0.00 C ATOM 395 C GLY A 46 -3.812 -14.407 -8.015 1.00 0.00 C ATOM 396 O GLY A 46 -2.762 -14.093 -7.463 1.00 0.00 O ATOM 0 H GLY A 46 -5.566 -16.276 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.363 -16.213 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.113 -14.750 -10.013 1.00 0.00 H new ATOM 400 N LYS A 47 -5.012 -14.042 -7.543 1.00 0.00 N ATOM 401 CA LYS A 47 -5.200 -13.299 -6.278 1.00 0.00 C ATOM 402 C LYS A 47 -5.969 -14.172 -5.288 1.00 0.00 C ATOM 403 O LYS A 47 -6.787 -14.989 -5.690 1.00 0.00 O ATOM 404 CB LYS A 47 -5.965 -11.981 -6.525 1.00 0.00 C ATOM 405 CG LYS A 47 -5.273 -10.988 -7.475 1.00 0.00 C ATOM 406 CD LYS A 47 -4.004 -10.343 -6.878 1.00 0.00 C ATOM 407 CE LYS A 47 -3.365 -9.345 -7.857 1.00 0.00 C ATOM 408 NZ LYS A 47 -4.320 -8.282 -8.293 1.00 0.00 N ATOM 0 H LYS A 47 -5.886 -14.252 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.222 -13.052 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.948 -12.221 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.127 -11.489 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.008 -11.505 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.979 -10.202 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.257 -9.832 -5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.283 -11.121 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.500 -8.880 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.000 -9.882 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.797 -7.519 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.014 -8.688 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.815 -7.898 -7.463 1.00 0.00 H new ATOM 422 N VAL A 48 -5.718 -13.971 -3.993 1.00 0.00 N ATOM 423 CA VAL A 48 -6.292 -14.789 -2.915 1.00 0.00 C ATOM 424 C VAL A 48 -7.246 -13.939 -2.068 1.00 0.00 C ATOM 425 O VAL A 48 -6.841 -12.914 -1.520 1.00 0.00 O ATOM 426 CB VAL A 48 -5.160 -15.409 -2.015 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.734 -16.304 -0.881 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.148 -16.190 -2.890 1.00 0.00 C ATOM 0 H VAL A 48 -5.105 -13.229 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.851 -15.611 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.638 -14.586 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.915 -16.709 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.386 -15.708 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.305 -17.123 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.370 -16.614 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.665 -16.993 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.696 -15.513 -3.615 1.00 0.00 H new ATOM 438 N TYR A 49 -8.519 -14.368 -1.989 1.00 0.00 N ATOM 439 CA TYR A 49 -9.575 -13.682 -1.212 1.00 0.00 C ATOM 440 C TYR A 49 -10.193 -14.670 -0.224 1.00 0.00 C ATOM 441 O TYR A 49 -10.164 -15.875 -0.468 1.00 0.00 O ATOM 442 CB TYR A 49 -10.694 -13.146 -2.147 1.00 0.00 C ATOM 443 CG TYR A 49 -10.196 -12.259 -3.292 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.743 -12.826 -4.488 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.152 -10.869 -3.176 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.268 -12.042 -5.511 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.669 -10.082 -4.202 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.229 -10.671 -5.363 1.00 0.00 C ATOM 449 OH TYR A 49 -8.735 -9.883 -6.383 1.00 0.00 O ATOM 0 H TYR A 49 -8.849 -15.207 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.124 -12.842 -0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.234 -13.994 -2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.408 -12.579 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.767 -13.899 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.502 -10.401 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.926 -12.498 -6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.637 -9.008 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.779 -8.940 -6.119 1.00 0.00 H new ATOM 459 N ASP A 50 -10.772 -14.164 0.873 1.00 0.00 N ATOM 460 CA ASP A 50 -11.511 -15.005 1.832 1.00 0.00 C ATOM 461 C ASP A 50 -13.016 -14.924 1.512 1.00 0.00 C ATOM 462 O ASP A 50 -13.599 -13.835 1.538 1.00 0.00 O ATOM 463 CB ASP A 50 -11.225 -14.554 3.288 1.00 0.00 C ATOM 464 CG ASP A 50 -11.571 -15.625 4.348 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.757 -15.958 4.503 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.652 -16.116 5.046 1.00 0.00 O ATOM 0 H ASP A 50 -10.744 -13.175 1.121 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.181 -16.040 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.170 -14.293 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.796 -13.650 3.498 1.00 0.00 H new ATOM 471 N ILE A 51 -13.628 -16.082 1.207 1.00 0.00 N ATOM 472 CA ILE A 51 -15.058 -16.180 0.838 1.00 0.00 C ATOM 473 C ILE A 51 -15.971 -15.994 2.059 1.00 0.00 C ATOM 474 O ILE A 51 -17.052 -15.427 1.932 1.00 0.00 O ATOM 475 CB ILE A 51 -15.367 -17.545 0.101 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.649 -17.592 -1.276 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.887 -17.818 -0.073 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.135 -16.536 -2.262 1.00 0.00 C ATOM 0 H ILE A 51 -13.146 -16.981 1.208 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.270 -15.368 0.143 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.981 -18.337 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.578 -17.464 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.792 -18.579 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.029 -18.769 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.364 -17.858 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.335 -17.018 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.587 -16.633 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.200 -16.675 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.967 -15.543 -1.844 1.00 0.00 H new ATOM 490 N LYS A 52 -15.517 -16.434 3.239 1.00 0.00 N ATOM 491 CA LYS A 52 -16.277 -16.272 4.501 1.00 0.00 C ATOM 492 C LYS A 52 -16.431 -14.766 4.823 1.00 0.00 C ATOM 493 O LYS A 52 -17.537 -14.293 5.127 1.00 0.00 O ATOM 494 CB LYS A 52 -15.544 -17.032 5.646 1.00 0.00 C ATOM 495 CG LYS A 52 -15.995 -16.695 7.087 1.00 0.00 C ATOM 496 CD LYS A 52 -15.051 -17.309 8.154 1.00 0.00 C ATOM 497 CE LYS A 52 -13.590 -16.822 8.023 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.439 -15.366 8.247 1.00 0.00 N ATOM 0 H LYS A 52 -14.622 -16.909 3.354 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.276 -16.697 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.677 -18.102 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.476 -16.828 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.027 -15.613 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.008 -17.064 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.423 -17.059 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.075 -18.395 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.969 -17.360 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.218 -17.071 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.122 -14.910 7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.353 -14.963 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.735 -15.201 8.995 1.00 0.00 H new ATOM 512 N ASP A 53 -15.310 -14.030 4.695 1.00 0.00 N ATOM 513 CA ASP A 53 -15.270 -12.564 4.868 1.00 0.00 C ATOM 514 C ASP A 53 -16.087 -11.839 3.776 1.00 0.00 C ATOM 515 O ASP A 53 -16.737 -10.821 4.052 1.00 0.00 O ATOM 516 CB ASP A 53 -13.801 -12.063 4.865 1.00 0.00 C ATOM 517 CG ASP A 53 -13.089 -12.313 6.203 1.00 0.00 C ATOM 518 OD1 ASP A 53 -12.639 -13.445 6.447 1.00 0.00 O ATOM 519 OD2 ASP A 53 -12.995 -11.382 7.032 1.00 0.00 O ATOM 0 H ASP A 53 -14.403 -14.437 4.468 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.725 -12.330 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.252 -12.563 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.785 -10.996 4.643 1.00 0.00 H new ATOM 524 N PHE A 54 -16.045 -12.380 2.544 1.00 0.00 N ATOM 525 CA PHE A 54 -16.839 -11.877 1.401 1.00 0.00 C ATOM 526 C PHE A 54 -18.349 -11.925 1.728 1.00 0.00 C ATOM 527 O PHE A 54 -19.053 -10.909 1.634 1.00 0.00 O ATOM 528 CB PHE A 54 -16.516 -12.717 0.130 1.00 0.00 C ATOM 529 CG PHE A 54 -17.380 -12.411 -1.099 1.00 0.00 C ATOM 530 CD1 PHE A 54 -17.034 -11.396 -1.982 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.542 -13.146 -1.370 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.815 -11.124 -3.091 1.00 0.00 C ATOM 533 CE2 PHE A 54 -19.321 -12.866 -2.477 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.955 -11.858 -3.340 1.00 0.00 C ATOM 0 H PHE A 54 -15.458 -13.181 2.310 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.573 -10.837 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.470 -12.558 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.626 -13.773 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.144 -10.812 -1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.834 -13.944 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.530 -10.331 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -20.217 -13.438 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.559 -11.643 -4.209 1.00 0.00 H new ATOM 544 N GLN A 55 -18.803 -13.115 2.173 1.00 0.00 N ATOM 545 CA GLN A 55 -20.227 -13.404 2.437 1.00 0.00 C ATOM 546 C GLN A 55 -20.789 -12.527 3.560 1.00 0.00 C ATOM 547 O GLN A 55 -21.977 -12.213 3.557 1.00 0.00 O ATOM 548 CB GLN A 55 -20.433 -14.894 2.798 1.00 0.00 C ATOM 549 CG GLN A 55 -20.113 -15.878 1.659 1.00 0.00 C ATOM 550 CD GLN A 55 -20.335 -17.357 2.012 1.00 0.00 C ATOM 551 OE1 GLN A 55 -19.639 -18.239 1.512 1.00 0.00 O ATOM 552 NE2 GLN A 55 -21.319 -17.643 2.849 1.00 0.00 N ATOM 0 H GLN A 55 -18.188 -13.907 2.360 1.00 0.00 H new ATOM 0 HA GLN A 55 -20.768 -13.177 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -19.807 -15.136 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -21.468 -15.040 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -20.729 -15.627 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -19.074 -15.741 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -21.882 -16.893 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -21.515 -18.614 3.093 1.00 0.00 H new ATOM 561 N THR A 56 -19.913 -12.131 4.497 1.00 0.00 N ATOM 562 CA THR A 56 -20.285 -11.293 5.656 1.00 0.00 C ATOM 563 C THR A 56 -20.956 -9.964 5.213 1.00 0.00 C ATOM 564 O THR A 56 -21.907 -9.493 5.848 1.00 0.00 O ATOM 565 CB THR A 56 -19.035 -11.000 6.545 1.00 0.00 C ATOM 566 OG1 THR A 56 -18.385 -12.235 6.880 1.00 0.00 O ATOM 567 CG2 THR A 56 -19.390 -10.254 7.847 1.00 0.00 C ATOM 0 H THR A 56 -18.924 -12.381 4.475 1.00 0.00 H new ATOM 0 HA THR A 56 -21.013 -11.852 6.243 1.00 0.00 H new ATOM 0 HB THR A 56 -18.375 -10.356 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.072 -12.673 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.482 -10.078 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.857 -9.299 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.082 -10.857 8.435 1.00 0.00 H new ATOM 575 N GLN A 57 -20.471 -9.394 4.093 1.00 0.00 N ATOM 576 CA GLN A 57 -21.020 -8.156 3.513 1.00 0.00 C ATOM 577 C GLN A 57 -22.343 -8.415 2.764 1.00 0.00 C ATOM 578 O GLN A 57 -23.215 -7.546 2.741 1.00 0.00 O ATOM 579 CB GLN A 57 -19.965 -7.488 2.587 1.00 0.00 C ATOM 580 CG GLN A 57 -18.719 -6.955 3.326 1.00 0.00 C ATOM 581 CD GLN A 57 -19.035 -5.840 4.330 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.010 -4.655 3.997 1.00 0.00 O ATOM 583 NE2 GLN A 57 -19.334 -6.212 5.568 1.00 0.00 N ATOM 0 H GLN A 57 -19.688 -9.780 3.566 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.249 -7.470 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.646 -8.212 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.437 -6.663 2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.237 -7.780 3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -18.004 -6.582 2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.347 -7.202 5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.551 -5.508 6.274 1.00 0.00 H new ATOM 592 N SER A 58 -22.506 -9.616 2.178 1.00 0.00 N ATOM 593 CA SER A 58 -23.742 -9.980 1.443 1.00 0.00 C ATOM 594 C SER A 58 -24.878 -10.440 2.391 1.00 0.00 C ATOM 595 O SER A 58 -25.968 -10.786 1.924 1.00 0.00 O ATOM 596 CB SER A 58 -23.438 -11.065 0.379 1.00 0.00 C ATOM 597 OG SER A 58 -22.845 -12.226 0.940 1.00 0.00 O ATOM 0 H SER A 58 -21.801 -10.353 2.197 1.00 0.00 H new ATOM 0 HA SER A 58 -24.096 -9.081 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.363 -11.342 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.772 -10.650 -0.378 1.00 0.00 H new ATOM 0 HG SER A 58 -22.697 -12.087 1.899 1.00 0.00 H new ATOM 603 N LEU A 59 -24.623 -10.426 3.721 1.00 0.00 N ATOM 604 CA LEU A 59 -25.627 -10.800 4.749 1.00 0.00 C ATOM 605 C LEU A 59 -26.589 -9.632 5.085 1.00 0.00 C ATOM 606 O LEU A 59 -27.378 -9.739 6.033 1.00 0.00 O ATOM 607 CB LEU A 59 -24.921 -11.294 6.051 1.00 0.00 C ATOM 608 CG LEU A 59 -24.007 -12.554 5.921 1.00 0.00 C ATOM 609 CD1 LEU A 59 -23.398 -12.962 7.282 1.00 0.00 C ATOM 610 CD2 LEU A 59 -24.757 -13.732 5.263 1.00 0.00 C ATOM 0 H LEU A 59 -23.720 -10.157 4.111 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.223 -11.609 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.317 -10.475 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -25.689 -11.507 6.794 1.00 0.00 H new ATOM 0 HG LEU A 59 -23.180 -12.285 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -22.769 -13.842 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -22.796 -12.141 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -24.199 -13.191 7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.091 -14.591 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.623 -13.996 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.087 -13.442 4.266 1.00 0.00 H new ATOM 622 N THR A 60 -26.541 -8.531 4.309 1.00 0.00 N ATOM 623 CA THR A 60 -27.394 -7.344 4.533 1.00 0.00 C ATOM 624 C THR A 60 -28.122 -6.941 3.233 1.00 0.00 C ATOM 625 O THR A 60 -27.770 -7.413 2.139 1.00 0.00 O ATOM 626 CB THR A 60 -26.551 -6.149 5.105 1.00 0.00 C ATOM 627 OG1 THR A 60 -27.404 -5.051 5.461 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.478 -5.653 4.123 1.00 0.00 C ATOM 0 H THR A 60 -25.912 -8.438 3.511 1.00 0.00 H new ATOM 0 HA THR A 60 -28.150 -7.602 5.274 1.00 0.00 H new ATOM 0 HB THR A 60 -26.043 -6.532 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 60 -26.861 -4.317 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.927 -4.827 4.573 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.789 -6.467 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.955 -5.313 3.204 1.00 0.00 H new ATOM 636 N GLU A 61 -29.145 -6.077 3.382 1.00 0.00 N ATOM 637 CA GLU A 61 -29.983 -5.603 2.269 1.00 0.00 C ATOM 638 C GLU A 61 -29.186 -4.647 1.364 1.00 0.00 C ATOM 639 O GLU A 61 -28.978 -4.918 0.178 1.00 0.00 O ATOM 640 CB GLU A 61 -31.265 -4.906 2.812 1.00 0.00 C ATOM 641 CG GLU A 61 -32.256 -4.436 1.726 1.00 0.00 C ATOM 642 CD GLU A 61 -32.802 -5.597 0.870 1.00 0.00 C ATOM 643 OE1 GLU A 61 -33.797 -6.235 1.277 1.00 0.00 O ATOM 644 OE2 GLU A 61 -32.229 -5.894 -0.202 1.00 0.00 O ATOM 0 H GLU A 61 -29.413 -5.687 4.286 1.00 0.00 H new ATOM 0 HA GLU A 61 -30.287 -6.464 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -31.781 -5.595 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.968 -4.044 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -33.089 -3.918 2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -31.761 -3.714 1.077 1.00 0.00 H new ATOM 651 N ASN A 62 -28.733 -3.540 1.956 1.00 0.00 N ATOM 652 CA ASN A 62 -27.944 -2.517 1.261 1.00 0.00 C ATOM 653 C ASN A 62 -26.475 -2.944 1.234 1.00 0.00 C ATOM 654 O ASN A 62 -25.714 -2.684 2.175 1.00 0.00 O ATOM 655 CB ASN A 62 -28.119 -1.142 1.945 1.00 0.00 C ATOM 656 CG ASN A 62 -29.543 -0.604 1.816 1.00 0.00 C ATOM 657 OD1 ASN A 62 -29.849 0.174 0.912 1.00 0.00 O ATOM 658 ND2 ASN A 62 -30.431 -1.048 2.700 1.00 0.00 N ATOM 0 H ASN A 62 -28.904 -3.325 2.938 1.00 0.00 H new ATOM 0 HA ASN A 62 -28.297 -2.418 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.861 -1.229 3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.423 -0.429 1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -31.403 -0.745 2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -30.140 -1.692 3.435 1.00 0.00 H new ATOM 665 N SER A 63 -26.125 -3.663 0.169 1.00 0.00 N ATOM 666 CA SER A 63 -24.781 -4.183 -0.070 1.00 0.00 C ATOM 667 C SER A 63 -24.482 -4.114 -1.569 1.00 0.00 C ATOM 668 O SER A 63 -25.393 -4.237 -2.392 1.00 0.00 O ATOM 669 CB SER A 63 -24.678 -5.649 0.419 1.00 0.00 C ATOM 670 OG SER A 63 -23.388 -6.196 0.168 1.00 0.00 O ATOM 0 H SER A 63 -26.785 -3.906 -0.570 1.00 0.00 H new ATOM 0 HA SER A 63 -24.057 -3.583 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 63 -24.891 -5.693 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 63 -25.434 -6.254 -0.081 1.00 0.00 H new ATOM 0 HG SER A 63 -23.100 -6.723 0.942 1.00 0.00 H new ATOM 676 N ILE A 64 -23.199 -3.940 -1.915 1.00 0.00 N ATOM 677 CA ILE A 64 -22.725 -4.040 -3.311 1.00 0.00 C ATOM 678 C ILE A 64 -22.835 -5.498 -3.828 1.00 0.00 C ATOM 679 O ILE A 64 -22.850 -5.737 -5.037 1.00 0.00 O ATOM 680 CB ILE A 64 -21.241 -3.540 -3.457 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.289 -4.347 -2.513 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.129 -2.014 -3.197 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.820 -4.014 -2.650 1.00 0.00 C ATOM 0 H ILE A 64 -22.461 -3.727 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.366 -3.396 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.928 -3.718 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.591 -4.171 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.425 -5.411 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.090 -1.702 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.747 -1.476 -3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.471 -1.791 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.242 -4.624 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.494 -4.218 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.663 -2.959 -2.423 1.00 0.00 H new ATOM 695 N LEU A 65 -22.916 -6.456 -2.877 1.00 0.00 N ATOM 696 CA LEU A 65 -22.992 -7.903 -3.157 1.00 0.00 C ATOM 697 C LEU A 65 -24.446 -8.407 -3.164 1.00 0.00 C ATOM 698 O LEU A 65 -24.687 -9.593 -3.409 1.00 0.00 O ATOM 699 CB LEU A 65 -22.175 -8.674 -2.091 1.00 0.00 C ATOM 700 CG LEU A 65 -20.700 -8.221 -1.905 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.981 -9.073 -0.836 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.948 -8.227 -3.252 1.00 0.00 C ATOM 0 H LEU A 65 -22.930 -6.240 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.577 -8.079 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.686 -8.581 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.179 -9.732 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.705 -7.194 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.952 -8.731 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.497 -8.971 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.986 -10.119 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.918 -7.906 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.955 -9.234 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.439 -7.545 -3.946 1.00 0.00 H new ATOM 714 N ALA A 66 -25.409 -7.502 -2.887 1.00 0.00 N ATOM 715 CA ALA A 66 -26.851 -7.843 -2.857 1.00 0.00 C ATOM 716 C ALA A 66 -27.364 -8.207 -4.269 1.00 0.00 C ATOM 717 O ALA A 66 -28.281 -9.020 -4.418 1.00 0.00 O ATOM 718 CB ALA A 66 -27.662 -6.686 -2.252 1.00 0.00 C ATOM 0 H ALA A 66 -25.213 -6.523 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.984 -8.720 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.719 -6.952 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.321 -6.496 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.522 -5.789 -2.855 1.00 0.00 H new ATOM 724 N GLN A 67 -26.737 -7.608 -5.299 1.00 0.00 N ATOM 725 CA GLN A 67 -27.028 -7.900 -6.725 1.00 0.00 C ATOM 726 C GLN A 67 -26.504 -9.295 -7.141 1.00 0.00 C ATOM 727 O GLN A 67 -26.952 -9.865 -8.141 1.00 0.00 O ATOM 728 CB GLN A 67 -26.413 -6.796 -7.627 1.00 0.00 C ATOM 729 CG GLN A 67 -24.886 -6.628 -7.502 1.00 0.00 C ATOM 730 CD GLN A 67 -24.333 -5.512 -8.389 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.003 -5.736 -9.554 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.214 -4.310 -7.839 1.00 0.00 N ATOM 0 H GLN A 67 -26.010 -6.904 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.110 -7.907 -6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.655 -7.020 -8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.889 -5.845 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.633 -6.418 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.400 -7.568 -7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.498 -4.162 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.839 -3.534 -8.385 1.00 0.00 H new ATOM 741 N PHE A 68 -25.551 -9.824 -6.354 1.00 0.00 N ATOM 742 CA PHE A 68 -24.924 -11.144 -6.576 1.00 0.00 C ATOM 743 C PHE A 68 -25.541 -12.230 -5.660 1.00 0.00 C ATOM 744 O PHE A 68 -25.012 -13.344 -5.585 1.00 0.00 O ATOM 745 CB PHE A 68 -23.402 -11.037 -6.308 1.00 0.00 C ATOM 746 CG PHE A 68 -22.631 -10.130 -7.272 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.410 -10.521 -8.594 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.112 -8.901 -6.859 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.702 -9.713 -9.469 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.408 -8.095 -7.737 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.202 -8.500 -9.040 1.00 0.00 C ATOM 0 H PHE A 68 -25.187 -9.341 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.105 -11.439 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.253 -10.670 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.971 -12.037 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -22.797 -11.468 -8.940 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -22.262 -8.575 -5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -21.541 -10.033 -10.488 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.018 -7.145 -7.401 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.651 -7.870 -9.722 1.00 0.00 H new ATOM 761 N ALA A 69 -26.665 -11.903 -4.984 1.00 0.00 N ATOM 762 CA ALA A 69 -27.329 -12.814 -4.015 1.00 0.00 C ATOM 763 C ALA A 69 -27.871 -14.097 -4.688 1.00 0.00 C ATOM 764 O ALA A 69 -28.009 -15.140 -4.039 1.00 0.00 O ATOM 765 CB ALA A 69 -28.460 -12.077 -3.287 1.00 0.00 C ATOM 0 H ALA A 69 -27.138 -11.006 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.573 -13.125 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.939 -12.754 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -28.050 -11.222 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -29.195 -11.731 -4.013 1.00 0.00 H new ATOM 771 N GLY A 70 -28.178 -14.003 -5.999 1.00 0.00 N ATOM 772 CA GLY A 70 -28.663 -15.151 -6.783 1.00 0.00 C ATOM 773 C GLY A 70 -27.546 -15.914 -7.487 1.00 0.00 C ATOM 774 O GLY A 70 -27.803 -16.671 -8.432 1.00 0.00 O ATOM 0 H GLY A 70 -28.097 -13.139 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -29.199 -15.833 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.378 -14.799 -7.527 1.00 0.00 H new ATOM 778 N GLU A 71 -26.301 -15.723 -7.020 1.00 0.00 N ATOM 779 CA GLU A 71 -25.106 -16.363 -7.591 1.00 0.00 C ATOM 780 C GLU A 71 -24.243 -16.954 -6.461 1.00 0.00 C ATOM 781 O GLU A 71 -24.265 -16.454 -5.326 1.00 0.00 O ATOM 782 CB GLU A 71 -24.289 -15.324 -8.430 1.00 0.00 C ATOM 783 CG GLU A 71 -23.043 -15.884 -9.160 1.00 0.00 C ATOM 784 CD GLU A 71 -23.361 -16.951 -10.230 1.00 0.00 C ATOM 785 OE1 GLU A 71 -23.540 -18.143 -9.879 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.421 -16.605 -11.432 1.00 0.00 O ATOM 0 H GLU A 71 -26.095 -15.114 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.411 -17.172 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -24.953 -14.880 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.969 -14.520 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.512 -15.058 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.367 -16.316 -8.422 1.00 0.00 H new ATOM 793 N ASP A 72 -23.505 -18.030 -6.796 1.00 0.00 N ATOM 794 CA ASP A 72 -22.486 -18.650 -5.924 1.00 0.00 C ATOM 795 C ASP A 72 -21.445 -17.591 -5.495 1.00 0.00 C ATOM 796 O ASP A 72 -20.902 -16.934 -6.370 1.00 0.00 O ATOM 797 CB ASP A 72 -21.778 -19.791 -6.701 1.00 0.00 C ATOM 798 CG ASP A 72 -20.584 -20.398 -5.940 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.801 -21.203 -5.012 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.429 -20.057 -6.259 1.00 0.00 O ATOM 0 H ASP A 72 -23.601 -18.501 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.968 -19.054 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.501 -20.578 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.431 -19.407 -7.660 1.00 0.00 H new ATOM 805 N PRO A 73 -21.138 -17.433 -4.160 1.00 0.00 N ATOM 806 CA PRO A 73 -20.253 -16.344 -3.641 1.00 0.00 C ATOM 807 C PRO A 73 -18.851 -16.278 -4.305 1.00 0.00 C ATOM 808 O PRO A 73 -18.271 -15.195 -4.406 1.00 0.00 O ATOM 809 CB PRO A 73 -20.147 -16.648 -2.114 1.00 0.00 C ATOM 810 CG PRO A 73 -20.590 -18.070 -1.975 1.00 0.00 C ATOM 811 CD PRO A 73 -21.635 -18.280 -3.044 1.00 0.00 C ATOM 0 HA PRO A 73 -20.675 -15.365 -3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.127 -16.515 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.780 -15.978 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.753 -18.755 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.002 -18.256 -0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.712 -19.328 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.625 -17.969 -2.709 1.00 0.00 H new ATOM 819 N VAL A 74 -18.322 -17.429 -4.765 1.00 0.00 N ATOM 820 CA VAL A 74 -16.998 -17.489 -5.425 1.00 0.00 C ATOM 821 C VAL A 74 -17.096 -16.917 -6.854 1.00 0.00 C ATOM 822 O VAL A 74 -16.318 -16.044 -7.234 1.00 0.00 O ATOM 823 CB VAL A 74 -16.426 -18.956 -5.466 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.981 -18.982 -6.026 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.502 -19.627 -4.069 1.00 0.00 C ATOM 0 H VAL A 74 -18.790 -18.332 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.307 -16.885 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.051 -19.536 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.615 -20.009 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.976 -18.580 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.334 -18.376 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.100 -20.638 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.919 -19.046 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.541 -19.668 -3.741 1.00 0.00 H new ATOM 835 N VAL A 75 -18.099 -17.401 -7.600 1.00 0.00 N ATOM 836 CA VAL A 75 -18.367 -16.986 -9.005 1.00 0.00 C ATOM 837 C VAL A 75 -18.864 -15.522 -9.066 1.00 0.00 C ATOM 838 O VAL A 75 -18.612 -14.789 -10.034 1.00 0.00 O ATOM 839 CB VAL A 75 -19.417 -17.956 -9.668 1.00 0.00 C ATOM 840 CG1 VAL A 75 -19.727 -17.575 -11.139 1.00 0.00 C ATOM 841 CG2 VAL A 75 -18.934 -19.420 -9.568 1.00 0.00 C ATOM 0 H VAL A 75 -18.758 -18.097 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.433 -17.046 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.350 -17.853 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.456 -18.274 -11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.133 -16.564 -11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.810 -17.619 -11.727 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.670 -20.078 -10.030 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -17.979 -19.524 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.812 -19.692 -8.520 1.00 0.00 H new ATOM 851 N ALA A 76 -19.543 -15.120 -7.989 1.00 0.00 N ATOM 852 CA ALA A 76 -20.048 -13.754 -7.774 1.00 0.00 C ATOM 853 C ALA A 76 -18.880 -12.797 -7.556 1.00 0.00 C ATOM 854 O ALA A 76 -18.872 -11.676 -8.068 1.00 0.00 O ATOM 855 CB ALA A 76 -20.988 -13.729 -6.558 1.00 0.00 C ATOM 0 H ALA A 76 -19.765 -15.750 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.604 -13.436 -8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.358 -12.715 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.829 -14.399 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.444 -14.055 -5.671 1.00 0.00 H new ATOM 861 N LEU A 77 -17.891 -13.284 -6.790 1.00 0.00 N ATOM 862 CA LEU A 77 -16.640 -12.570 -6.523 1.00 0.00 C ATOM 863 C LEU A 77 -15.843 -12.362 -7.826 1.00 0.00 C ATOM 864 O LEU A 77 -15.323 -11.277 -8.049 1.00 0.00 O ATOM 865 CB LEU A 77 -15.809 -13.346 -5.465 1.00 0.00 C ATOM 866 CG LEU A 77 -14.399 -12.782 -5.109 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.455 -11.313 -4.657 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.725 -13.656 -4.035 1.00 0.00 C ATOM 0 H LEU A 77 -17.942 -14.196 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.870 -11.583 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.394 -13.396 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.684 -14.369 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.800 -12.813 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.449 -10.967 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.870 -10.701 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.085 -11.228 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.742 -13.248 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.340 -13.666 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.615 -14.673 -4.410 1.00 0.00 H new ATOM 880 N GLU A 78 -15.813 -13.394 -8.695 1.00 0.00 N ATOM 881 CA GLU A 78 -15.111 -13.338 -10.004 1.00 0.00 C ATOM 882 C GLU A 78 -15.654 -12.191 -10.886 1.00 0.00 C ATOM 883 O GLU A 78 -14.884 -11.390 -11.439 1.00 0.00 O ATOM 884 CB GLU A 78 -15.243 -14.690 -10.753 1.00 0.00 C ATOM 885 CG GLU A 78 -14.684 -15.899 -9.988 1.00 0.00 C ATOM 886 CD GLU A 78 -14.606 -17.162 -10.844 1.00 0.00 C ATOM 887 OE1 GLU A 78 -13.623 -17.303 -11.602 1.00 0.00 O ATOM 888 OE2 GLU A 78 -15.540 -17.999 -10.801 1.00 0.00 O ATOM 0 H GLU A 78 -16.271 -14.287 -8.515 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.057 -13.144 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.296 -14.869 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.728 -14.612 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.689 -15.657 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.312 -16.094 -9.119 1.00 0.00 H new ATOM 895 N ALA A 79 -16.991 -12.119 -10.973 1.00 0.00 N ATOM 896 CA ALA A 79 -17.703 -11.047 -11.693 1.00 0.00 C ATOM 897 C ALA A 79 -17.469 -9.679 -11.018 1.00 0.00 C ATOM 898 O ALA A 79 -17.338 -8.653 -11.691 1.00 0.00 O ATOM 899 CB ALA A 79 -19.204 -11.379 -11.760 1.00 0.00 C ATOM 0 H ALA A 79 -17.613 -12.805 -10.545 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.311 -10.982 -12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.729 -10.586 -12.292 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.345 -12.323 -12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.603 -11.463 -10.749 1.00 0.00 H new ATOM 905 N ALA A 80 -17.376 -9.701 -9.680 1.00 0.00 N ATOM 906 CA ALA A 80 -17.187 -8.501 -8.844 1.00 0.00 C ATOM 907 C ALA A 80 -15.739 -7.961 -8.897 1.00 0.00 C ATOM 908 O ALA A 80 -15.480 -6.811 -8.522 1.00 0.00 O ATOM 909 CB ALA A 80 -17.599 -8.821 -7.406 1.00 0.00 C ATOM 0 H ALA A 80 -17.430 -10.564 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.821 -7.709 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.461 -7.937 -6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.647 -9.120 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.982 -9.634 -7.023 1.00 0.00 H new ATOM 915 N LEU A 81 -14.789 -8.800 -9.344 1.00 0.00 N ATOM 916 CA LEU A 81 -13.397 -8.368 -9.580 1.00 0.00 C ATOM 917 C LEU A 81 -13.318 -7.585 -10.892 1.00 0.00 C ATOM 918 O LEU A 81 -12.575 -6.604 -11.008 1.00 0.00 O ATOM 919 CB LEU A 81 -12.446 -9.587 -9.610 1.00 0.00 C ATOM 920 CG LEU A 81 -12.359 -10.380 -8.275 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.402 -11.575 -8.376 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.987 -9.454 -7.104 1.00 0.00 C ATOM 0 H LEU A 81 -14.959 -9.784 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.082 -7.719 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.772 -10.265 -10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.447 -9.244 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.350 -10.788 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.373 -12.099 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.750 -12.255 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.402 -11.220 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.933 -10.035 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.019 -8.992 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.745 -8.678 -6.999 1.00 0.00 H new ATOM 934 N GLN A 82 -14.117 -8.035 -11.868 1.00 0.00 N ATOM 935 CA GLN A 82 -14.268 -7.372 -13.168 1.00 0.00 C ATOM 936 C GLN A 82 -15.161 -6.115 -13.037 1.00 0.00 C ATOM 937 O GLN A 82 -15.087 -5.196 -13.863 1.00 0.00 O ATOM 938 CB GLN A 82 -14.855 -8.395 -14.181 1.00 0.00 C ATOM 939 CG GLN A 82 -14.938 -7.905 -15.637 1.00 0.00 C ATOM 940 CD GLN A 82 -15.398 -9.000 -16.599 1.00 0.00 C ATOM 941 OE1 GLN A 82 -14.584 -9.737 -17.151 1.00 0.00 O ATOM 942 NE2 GLN A 82 -16.707 -9.126 -16.794 1.00 0.00 N ATOM 0 H GLN A 82 -14.683 -8.879 -11.775 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.298 -7.033 -13.532 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.246 -9.299 -14.153 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.856 -8.674 -13.851 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -15.627 -7.063 -15.694 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -13.960 -7.539 -15.950 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.356 -8.498 -16.320 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -17.062 -9.851 -17.417 1.00 0.00 H new ATOM 951 N PHE A 83 -15.980 -6.073 -11.967 1.00 0.00 N ATOM 952 CA PHE A 83 -16.924 -4.976 -11.700 1.00 0.00 C ATOM 953 C PHE A 83 -16.246 -3.891 -10.828 1.00 0.00 C ATOM 954 O PHE A 83 -15.868 -4.145 -9.678 1.00 0.00 O ATOM 955 CB PHE A 83 -18.198 -5.549 -11.028 1.00 0.00 C ATOM 956 CG PHE A 83 -19.375 -4.588 -10.897 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.597 -3.585 -11.837 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.280 -4.708 -9.846 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.675 -2.738 -11.727 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.356 -3.853 -9.734 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.556 -2.872 -10.675 1.00 0.00 C ATOM 0 H PHE A 83 -16.003 -6.807 -11.259 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.219 -4.501 -12.635 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.526 -6.418 -11.598 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.931 -5.903 -10.032 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -18.913 -3.470 -12.665 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.137 -5.483 -9.107 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.832 -1.966 -12.466 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.042 -3.954 -8.906 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.402 -2.207 -10.591 1.00 0.00 H new ATOM 971 N GLU A 84 -16.096 -2.681 -11.408 1.00 0.00 N ATOM 972 CA GLU A 84 -15.346 -1.557 -10.804 1.00 0.00 C ATOM 973 C GLU A 84 -16.021 -0.979 -9.539 1.00 0.00 C ATOM 974 O GLU A 84 -15.351 -0.359 -8.705 1.00 0.00 O ATOM 975 CB GLU A 84 -15.119 -0.443 -11.858 1.00 0.00 C ATOM 976 CG GLU A 84 -16.395 0.251 -12.363 1.00 0.00 C ATOM 977 CD GLU A 84 -16.105 1.402 -13.340 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.021 1.158 -14.562 1.00 0.00 O ATOM 979 OE2 GLU A 84 -15.947 2.552 -12.886 1.00 0.00 O ATOM 0 H GLU A 84 -16.496 -2.454 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.386 -1.958 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.460 0.312 -11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.597 -0.874 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.032 -0.484 -12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.954 0.637 -11.511 1.00 0.00 H new ATOM 986 N ASP A 85 -17.341 -1.181 -9.414 1.00 0.00 N ATOM 987 CA ASP A 85 -18.140 -0.659 -8.280 1.00 0.00 C ATOM 988 C ASP A 85 -18.016 -1.546 -7.030 1.00 0.00 C ATOM 989 O ASP A 85 -18.408 -1.135 -5.934 1.00 0.00 O ATOM 990 CB ASP A 85 -19.627 -0.539 -8.692 1.00 0.00 C ATOM 991 CG ASP A 85 -19.862 0.508 -9.794 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.494 0.250 -10.963 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.403 1.595 -9.499 1.00 0.00 O ATOM 0 H ASP A 85 -17.890 -1.709 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.746 0.325 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.982 -1.510 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.221 -0.277 -7.817 1.00 0.00 H new ATOM 998 N THR A 86 -17.491 -2.765 -7.207 1.00 0.00 N ATOM 999 CA THR A 86 -17.346 -3.750 -6.120 1.00 0.00 C ATOM 1000 C THR A 86 -15.873 -3.989 -5.726 1.00 0.00 C ATOM 1001 O THR A 86 -15.601 -4.257 -4.553 1.00 0.00 O ATOM 1002 CB THR A 86 -18.030 -5.097 -6.510 1.00 0.00 C ATOM 1003 OG1 THR A 86 -17.718 -5.417 -7.864 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.555 -5.051 -6.349 1.00 0.00 C ATOM 0 H THR A 86 -17.153 -3.100 -8.109 1.00 0.00 H new ATOM 0 HA THR A 86 -17.845 -3.332 -5.246 1.00 0.00 H new ATOM 0 HB THR A 86 -17.646 -5.859 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.825 -5.818 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.980 -6.013 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.805 -4.837 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 86 -19.965 -4.270 -6.989 1.00 0.00 H new ATOM 1012 N ARG A 87 -14.935 -3.835 -6.699 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.469 -4.135 -6.521 1.00 0.00 C ATOM 1014 C ARG A 87 -12.854 -3.465 -5.259 1.00 0.00 C ATOM 1015 O ARG A 87 -11.879 -3.966 -4.687 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.670 -3.679 -7.781 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.704 -2.151 -8.013 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.892 -1.679 -9.229 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.129 -0.243 -9.485 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.637 0.471 -10.505 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.799 -0.056 -11.388 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.982 1.736 -10.628 1.00 0.00 N ATOM 0 H ARG A 87 -15.164 -3.499 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.393 -5.214 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.633 -4.000 -7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.075 -4.181 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.740 -1.837 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.325 -1.651 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.830 -1.853 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.170 -2.262 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.725 0.252 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.513 -1.031 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.441 0.514 -12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.616 2.160 -9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.615 2.292 -11.400 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.457 -2.334 -4.860 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.070 -1.532 -3.683 1.00 0.00 C ATOM 1038 C GLU A 88 -13.046 -2.365 -2.374 1.00 0.00 C ATOM 1039 O GLU A 88 -12.060 -2.332 -1.629 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.039 -0.322 -3.558 1.00 0.00 C ATOM 1041 CG GLU A 88 -15.542 -0.693 -3.642 1.00 0.00 C ATOM 1042 CD GLU A 88 -16.482 0.480 -3.321 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -16.682 0.777 -2.119 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -17.001 1.121 -4.257 1.00 0.00 O ATOM 0 H GLU A 88 -14.252 -1.938 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.050 -1.178 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.854 0.179 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.810 0.394 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.762 -1.061 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.745 -1.511 -2.951 1.00 0.00 H new ATOM 1051 N SER A 89 -14.123 -3.134 -2.124 1.00 0.00 N ATOM 1052 CA SER A 89 -14.255 -3.969 -0.912 1.00 0.00 C ATOM 1053 C SER A 89 -13.411 -5.253 -1.008 1.00 0.00 C ATOM 1054 O SER A 89 -13.081 -5.871 0.007 1.00 0.00 O ATOM 1055 CB SER A 89 -15.738 -4.305 -0.684 1.00 0.00 C ATOM 1056 OG SER A 89 -16.504 -3.112 -0.606 1.00 0.00 O ATOM 0 H SER A 89 -14.924 -3.195 -2.753 1.00 0.00 H new ATOM 0 HA SER A 89 -13.876 -3.404 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.106 -4.930 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.851 -4.879 0.235 1.00 0.00 H new ATOM 0 HG SER A 89 -17.412 -3.325 -0.306 1.00 0.00 H new ATOM 1062 N MET A 90 -13.055 -5.632 -2.246 1.00 0.00 N ATOM 1063 CA MET A 90 -12.185 -6.793 -2.532 1.00 0.00 C ATOM 1064 C MET A 90 -10.725 -6.486 -2.203 1.00 0.00 C ATOM 1065 O MET A 90 -9.907 -7.394 -2.136 1.00 0.00 O ATOM 1066 CB MET A 90 -12.344 -7.235 -4.005 1.00 0.00 C ATOM 1067 CG MET A 90 -13.712 -7.857 -4.303 1.00 0.00 C ATOM 1068 SD MET A 90 -15.083 -6.839 -3.738 1.00 0.00 S ATOM 1069 CE MET A 90 -16.479 -7.858 -4.147 1.00 0.00 C ATOM 0 H MET A 90 -13.363 -5.140 -3.085 1.00 0.00 H new ATOM 0 HA MET A 90 -12.497 -7.618 -1.891 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.195 -6.373 -4.655 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.563 -7.956 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 90 -13.805 -8.019 -5.377 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.772 -8.835 -3.826 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.324 -7.225 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.225 -8.503 -4.988 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.746 -8.472 -3.287 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.419 -5.199 -1.991 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.106 -4.757 -1.487 1.00 0.00 C ATOM 1081 C HIS A 91 -8.990 -5.060 0.019 1.00 0.00 C ATOM 1082 O HIS A 91 -7.883 -5.183 0.555 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.900 -3.247 -1.776 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.994 -2.894 -3.239 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -9.444 -1.676 -3.704 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -8.670 -3.609 -4.338 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -9.394 -1.664 -5.020 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.927 -2.824 -5.429 1.00 0.00 N ATOM 0 H HIS A 91 -11.071 -4.434 -2.163 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.320 -5.306 -2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.646 -2.675 -1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.923 -2.944 -1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.280 -4.616 -4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.687 -0.841 -5.656 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.780 -3.094 -6.402 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.151 -5.182 0.686 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.242 -5.625 2.086 1.00 0.00 C ATOM 1099 C ALA A 92 -10.281 -7.165 2.170 1.00 0.00 C ATOM 1100 O ALA A 92 -9.828 -7.742 3.160 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.487 -5.021 2.749 1.00 0.00 C ATOM 0 H ALA A 92 -11.057 -4.975 0.266 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.356 -5.278 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.546 -5.355 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.422 -3.933 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.379 -5.345 2.212 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.843 -7.828 1.131 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.940 -9.312 1.090 1.00 0.00 C ATOM 1109 C PHE A 93 -9.635 -9.949 0.572 1.00 0.00 C ATOM 1110 O PHE A 93 -9.360 -11.118 0.875 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.128 -9.778 0.198 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.498 -9.212 0.582 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.855 -9.006 1.920 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.431 -8.876 -0.402 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.094 -8.486 2.251 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.667 -8.355 -0.067 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.997 -8.160 1.257 1.00 0.00 C ATOM 0 H PHE A 93 -11.235 -7.363 0.312 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.113 -9.643 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.916 -9.501 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.181 -10.866 0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.155 -9.256 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.182 -9.026 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.356 -8.335 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.374 -8.101 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.962 -7.752 1.518 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.839 -9.177 -0.206 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.597 -9.680 -0.813 1.00 0.00 C ATOM 1129 C CYS A 94 -6.518 -9.829 0.255 1.00 0.00 C ATOM 1130 O CYS A 94 -6.043 -8.838 0.822 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.101 -8.771 -1.965 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.632 -7.096 -1.478 1.00 0.00 S ATOM 0 H CYS A 94 -9.042 -8.201 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.812 -10.657 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.243 -9.248 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.886 -8.706 -2.719 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.170 -7.111 -0.263 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.194 -11.085 0.556 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.084 -11.444 1.433 1.00 0.00 C ATOM 1140 C VAL A 95 -3.762 -11.103 0.729 1.00 0.00 C ATOM 1141 O VAL A 95 -2.871 -10.482 1.320 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.129 -12.971 1.798 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -4.003 -13.354 2.796 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.526 -13.358 2.338 1.00 0.00 C ATOM 0 H VAL A 95 -6.702 -11.891 0.193 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.164 -10.878 2.361 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.950 -13.541 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.066 -14.418 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.032 -13.136 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.119 -12.778 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.539 -14.419 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.745 -12.774 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.280 -13.154 1.577 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.681 -11.492 -0.560 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.504 -11.247 -1.375 1.00 0.00 C ATOM 1156 C GLY A 96 -2.598 -11.881 -2.754 1.00 0.00 C ATOM 1157 O GLY A 96 -3.686 -11.999 -3.312 1.00 0.00 O ATOM 0 H GLY A 96 -4.431 -11.980 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.361 -10.172 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.625 -11.635 -0.861 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.435 -12.249 -3.303 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.285 -12.865 -4.632 1.00 0.00 C ATOM 1163 C GLN A 97 -0.739 -14.289 -4.465 1.00 0.00 C ATOM 1164 O GLN A 97 0.166 -14.508 -3.659 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.327 -11.991 -5.484 1.00 0.00 C ATOM 1166 CG GLN A 97 -0.028 -12.498 -6.905 1.00 0.00 C ATOM 1167 CD GLN A 97 0.844 -11.528 -7.703 1.00 0.00 C ATOM 1168 OE1 GLN A 97 0.339 -10.653 -8.404 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.158 -11.650 -7.567 1.00 0.00 N ATOM 0 H GLN A 97 -0.544 -12.124 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.246 -12.924 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.753 -10.990 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.618 -11.896 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.472 -13.465 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.967 -12.657 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.543 -12.388 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.783 -11.006 -8.052 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.288 -15.246 -5.227 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.869 -16.652 -5.175 1.00 0.00 C ATOM 1180 C TYR A 98 0.525 -16.818 -5.799 1.00 0.00 C ATOM 1181 O TYR A 98 0.800 -16.292 -6.885 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.891 -17.555 -5.900 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.555 -19.060 -5.863 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.751 -19.811 -4.700 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.040 -19.728 -6.983 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.455 -21.160 -4.657 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.745 -21.077 -6.940 1.00 0.00 C ATOM 1188 CZ TYR A 98 -0.951 -21.787 -5.778 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.657 -23.132 -5.741 1.00 0.00 O ATOM 0 H TYR A 98 -2.036 -15.066 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.823 -16.956 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.873 -17.404 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.964 -17.237 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.142 -19.327 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.871 -19.178 -7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.618 -21.722 -3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.354 -21.574 -7.816 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.312 -23.416 -6.613 1.00 0.00 H new ATOM 1199 N LEU A 99 1.379 -17.565 -5.098 1.00 0.00 N ATOM 1200 CA LEU A 99 2.742 -17.864 -5.511 1.00 0.00 C ATOM 1201 C LEU A 99 3.063 -19.298 -5.077 1.00 0.00 C ATOM 1202 O LEU A 99 2.964 -19.623 -3.895 1.00 0.00 O ATOM 1203 CB LEU A 99 3.710 -16.812 -4.880 1.00 0.00 C ATOM 1204 CG LEU A 99 5.241 -16.892 -5.232 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.022 -17.790 -4.253 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.478 -17.309 -6.703 1.00 0.00 C ATOM 0 H LEU A 99 1.131 -17.988 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 99 2.862 -17.800 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.356 -15.822 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.615 -16.883 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 99 5.636 -15.883 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.073 -17.812 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.929 -17.393 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.616 -18.801 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.549 -17.351 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.038 -18.290 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.015 -16.579 -7.367 1.00 0.00 H new ATOM 1218 N GLU A 100 3.442 -20.143 -6.044 1.00 0.00 N ATOM 1219 CA GLU A 100 3.819 -21.539 -5.796 1.00 0.00 C ATOM 1220 C GLU A 100 5.121 -21.614 -4.960 1.00 0.00 C ATOM 1221 O GLU A 100 6.074 -20.886 -5.262 1.00 0.00 O ATOM 1222 CB GLU A 100 3.999 -22.270 -7.149 1.00 0.00 C ATOM 1223 CG GLU A 100 2.703 -22.423 -7.966 1.00 0.00 C ATOM 1224 CD GLU A 100 2.865 -23.334 -9.191 1.00 0.00 C ATOM 1225 OE1 GLU A 100 3.508 -22.912 -10.173 1.00 0.00 O ATOM 1226 OE2 GLU A 100 2.370 -24.481 -9.169 1.00 0.00 O ATOM 0 H GLU A 100 3.496 -19.875 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 100 3.027 -22.026 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.730 -21.726 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.415 -23.260 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.921 -22.826 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.370 -21.439 -8.295 1.00 0.00 H new ATOM 1233 N PRO A 101 5.174 -22.481 -3.884 1.00 0.00 N ATOM 1234 CA PRO A 101 6.362 -22.611 -2.999 1.00 0.00 C ATOM 1235 C PRO A 101 7.656 -22.995 -3.767 1.00 0.00 C ATOM 1236 O PRO A 101 8.762 -22.706 -3.305 1.00 0.00 O ATOM 1237 CB PRO A 101 5.951 -23.704 -1.967 1.00 0.00 C ATOM 1238 CG PRO A 101 4.773 -24.401 -2.575 1.00 0.00 C ATOM 1239 CD PRO A 101 4.075 -23.371 -3.428 1.00 0.00 C ATOM 0 HA PRO A 101 6.615 -21.661 -2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.769 -24.401 -1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.692 -23.260 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.091 -25.254 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.106 -24.785 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.559 -23.833 -4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.326 -22.821 -2.858 1.00 0.00 H new ATOM 1247 N ASP A 102 7.490 -23.660 -4.932 1.00 0.00 N ATOM 1248 CA ASP A 102 8.604 -23.971 -5.860 1.00 0.00 C ATOM 1249 C ASP A 102 8.958 -22.733 -6.709 1.00 0.00 C ATOM 1250 O ASP A 102 10.134 -22.390 -6.871 1.00 0.00 O ATOM 1251 CB ASP A 102 8.223 -25.159 -6.785 1.00 0.00 C ATOM 1252 CG ASP A 102 9.314 -25.497 -7.828 1.00 0.00 C ATOM 1253 OD1 ASP A 102 10.391 -25.995 -7.431 1.00 0.00 O ATOM 1254 OD2 ASP A 102 9.092 -25.287 -9.044 1.00 0.00 O ATOM 0 H ASP A 102 6.583 -23.996 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 102 9.476 -24.252 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.030 -26.040 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.294 -24.923 -7.304 1.00 0.00 H new ATOM 1259 N GLN A 103 7.915 -22.037 -7.199 1.00 0.00 N ATOM 1260 CA GLN A 103 8.051 -20.884 -8.122 1.00 0.00 C ATOM 1261 C GLN A 103 8.710 -19.659 -7.425 1.00 0.00 C ATOM 1262 O GLN A 103 9.050 -18.663 -8.073 1.00 0.00 O ATOM 1263 CB GLN A 103 6.651 -20.519 -8.666 1.00 0.00 C ATOM 1264 CG GLN A 103 6.624 -19.493 -9.808 1.00 0.00 C ATOM 1265 CD GLN A 103 5.216 -19.147 -10.309 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.959 -18.022 -10.719 1.00 0.00 O ATOM 1267 NE2 GLN A 103 4.310 -20.115 -10.316 1.00 0.00 N ATOM 0 H GLN A 103 6.946 -22.257 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 103 8.708 -21.166 -8.945 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.167 -21.432 -9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.051 -20.133 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.113 -18.579 -9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.210 -19.879 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.552 -21.043 -9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.371 -19.932 -10.669 1.00 0.00 H new ATOM 1276 N GLU A 104 8.878 -19.749 -6.097 1.00 0.00 N ATOM 1277 CA GLU A 104 9.596 -18.747 -5.291 1.00 0.00 C ATOM 1278 C GLU A 104 11.044 -18.574 -5.819 1.00 0.00 C ATOM 1279 O GLU A 104 11.506 -17.448 -6.051 1.00 0.00 O ATOM 1280 CB GLU A 104 9.584 -19.204 -3.794 1.00 0.00 C ATOM 1281 CG GLU A 104 9.829 -18.102 -2.727 1.00 0.00 C ATOM 1282 CD GLU A 104 11.237 -17.472 -2.733 1.00 0.00 C ATOM 1283 OE1 GLU A 104 12.212 -18.185 -2.437 1.00 0.00 O ATOM 1284 OE2 GLU A 104 11.372 -16.265 -3.028 1.00 0.00 O ATOM 0 H GLU A 104 8.516 -20.527 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 104 9.103 -17.778 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.620 -19.669 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.344 -19.975 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.095 -17.310 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.645 -18.528 -1.741 1.00 0.00 H new ATOM 1291 N GLY A 105 11.729 -19.714 -6.024 1.00 0.00 N ATOM 1292 CA GLY A 105 13.140 -19.734 -6.434 1.00 0.00 C ATOM 1293 C GLY A 105 13.354 -19.901 -7.941 1.00 0.00 C ATOM 1294 O GLY A 105 14.492 -19.775 -8.414 1.00 0.00 O ATOM 0 H GLY A 105 11.320 -20.641 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.613 -18.807 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.646 -20.547 -5.914 1.00 0.00 H new ATOM 1298 N VAL A 106 12.274 -20.176 -8.701 1.00 0.00 N ATOM 1299 CA VAL A 106 12.354 -20.381 -10.171 1.00 0.00 C ATOM 1300 C VAL A 106 11.266 -19.563 -10.897 1.00 0.00 C ATOM 1301 O VAL A 106 10.109 -19.534 -10.474 1.00 0.00 O ATOM 1302 CB VAL A 106 12.257 -21.912 -10.565 1.00 0.00 C ATOM 1303 CG1 VAL A 106 10.929 -22.550 -10.097 1.00 0.00 C ATOM 1304 CG2 VAL A 106 12.475 -22.131 -12.090 1.00 0.00 C ATOM 0 H VAL A 106 11.330 -20.262 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 106 13.333 -20.025 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 106 13.065 -22.420 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.907 -23.600 -10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.851 -22.473 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.092 -22.027 -10.559 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.401 -23.194 -12.319 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.714 -21.585 -12.648 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.463 -21.767 -12.372 1.00 0.00 H new ATOM 1314 N THR A 107 11.665 -18.896 -11.991 1.00 0.00 N ATOM 1315 CA THR A 107 10.770 -18.082 -12.830 1.00 0.00 C ATOM 1316 C THR A 107 10.774 -18.607 -14.276 1.00 0.00 C ATOM 1317 O THR A 107 11.745 -19.241 -14.715 1.00 0.00 O ATOM 1318 CB THR A 107 11.195 -16.570 -12.807 1.00 0.00 C ATOM 1319 OG1 THR A 107 10.306 -15.778 -13.616 1.00 0.00 O ATOM 1320 CG2 THR A 107 12.645 -16.366 -13.284 1.00 0.00 C ATOM 0 H THR A 107 12.630 -18.907 -12.322 1.00 0.00 H new ATOM 0 HA THR A 107 9.762 -18.160 -12.423 1.00 0.00 H new ATOM 0 HB THR A 107 11.132 -16.242 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 107 10.586 -14.839 -13.587 1.00 0.00 H new ATOM 0 HG21 THR A 107 12.893 -15.305 -13.251 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.323 -16.918 -12.633 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.746 -16.730 -14.306 1.00 0.00 H new ATOM 1328 N ILE A 108 9.673 -18.354 -15.003 1.00 0.00 N ATOM 1329 CA ILE A 108 9.540 -18.703 -16.427 1.00 0.00 C ATOM 1330 C ILE A 108 9.292 -17.404 -17.228 1.00 0.00 C ATOM 1331 O ILE A 108 8.197 -16.843 -17.154 1.00 0.00 O ATOM 1332 CB ILE A 108 8.363 -19.727 -16.676 1.00 0.00 C ATOM 1333 CG1 ILE A 108 8.529 -21.015 -15.803 1.00 0.00 C ATOM 1334 CG2 ILE A 108 8.236 -20.092 -18.180 1.00 0.00 C ATOM 1335 CD1 ILE A 108 9.795 -21.820 -16.056 1.00 0.00 C ATOM 0 H ILE A 108 8.846 -17.899 -14.617 1.00 0.00 H new ATOM 0 HA ILE A 108 10.460 -19.187 -16.756 1.00 0.00 H new ATOM 0 HB ILE A 108 7.439 -19.235 -16.372 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.507 -20.726 -14.752 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.668 -21.662 -15.973 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.417 -20.798 -18.315 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.036 -19.190 -18.758 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.166 -20.545 -18.524 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.810 -22.690 -15.400 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.816 -22.149 -17.095 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.668 -21.199 -15.855 1.00 0.00 H new ATOM 1347 N PRO A 109 10.315 -16.873 -17.962 1.00 0.00 N ATOM 1348 CA PRO A 109 10.141 -15.682 -18.813 1.00 0.00 C ATOM 1349 C PRO A 109 9.501 -16.042 -20.173 1.00 0.00 C ATOM 1350 O PRO A 109 10.162 -16.043 -21.223 1.00 0.00 O ATOM 1351 CB PRO A 109 11.592 -15.147 -18.934 1.00 0.00 C ATOM 1352 CG PRO A 109 12.459 -16.373 -18.870 1.00 0.00 C ATOM 1353 CD PRO A 109 11.720 -17.368 -17.985 1.00 0.00 C ATOM 0 HA PRO A 109 9.457 -14.937 -18.406 1.00 0.00 H new ATOM 0 HB2 PRO A 109 11.738 -14.607 -19.870 1.00 0.00 H new ATOM 0 HB3 PRO A 109 11.827 -14.454 -18.126 1.00 0.00 H new ATOM 0 HG2 PRO A 109 12.625 -16.785 -19.865 1.00 0.00 H new ATOM 0 HG3 PRO A 109 13.439 -16.136 -18.456 1.00 0.00 H new ATOM 0 HD2 PRO A 109 11.778 -18.379 -18.389 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.146 -17.400 -16.982 1.00 0.00 H new ATOM 1361 N ASP A 110 8.195 -16.372 -20.128 1.00 0.00 N ATOM 1362 CA ASP A 110 7.433 -16.765 -21.323 1.00 0.00 C ATOM 1363 C ASP A 110 7.120 -15.534 -22.193 1.00 0.00 C ATOM 1364 O ASP A 110 6.947 -14.417 -21.676 1.00 0.00 O ATOM 1365 CB ASP A 110 6.132 -17.520 -20.928 1.00 0.00 C ATOM 1366 CG ASP A 110 5.108 -16.658 -20.160 1.00 0.00 C ATOM 1367 OD1 ASP A 110 5.208 -16.562 -18.915 1.00 0.00 O ATOM 1368 OD2 ASP A 110 4.209 -16.065 -20.797 1.00 0.00 O ATOM 0 H ASP A 110 7.645 -16.373 -19.269 1.00 0.00 H new ATOM 0 HA ASP A 110 8.046 -17.448 -21.912 1.00 0.00 H new ATOM 0 HB2 ASP A 110 5.660 -17.905 -21.832 1.00 0.00 H new ATOM 0 HB3 ASP A 110 6.397 -18.381 -20.315 1.00 0.00 H new ATOM 1373 N LEU A 111 7.063 -15.752 -23.511 1.00 0.00 N ATOM 1374 CA LEU A 111 6.852 -14.687 -24.506 1.00 0.00 C ATOM 1375 C LEU A 111 5.346 -14.507 -24.780 1.00 0.00 C ATOM 1376 O LEU A 111 4.849 -13.377 -24.899 1.00 0.00 O ATOM 1377 CB LEU A 111 7.621 -15.011 -25.834 1.00 0.00 C ATOM 1378 CG LEU A 111 9.185 -15.090 -25.764 1.00 0.00 C ATOM 1379 CD1 LEU A 111 9.783 -13.832 -25.116 1.00 0.00 C ATOM 1380 CD2 LEU A 111 9.673 -16.375 -25.064 1.00 0.00 C ATOM 0 H LEU A 111 7.162 -16.679 -23.924 1.00 0.00 H new ATOM 0 HA LEU A 111 7.247 -13.753 -24.105 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.253 -15.965 -26.212 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.355 -14.252 -26.570 1.00 0.00 H new ATOM 0 HG LEU A 111 9.546 -15.135 -26.791 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.869 -13.921 -25.084 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.508 -12.955 -25.702 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.397 -13.727 -24.102 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.763 -16.385 -25.040 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.287 -16.403 -24.045 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.315 -17.246 -25.612 1.00 0.00 H new ATOM 1392 N GLY A 112 4.621 -15.636 -24.848 1.00 0.00 N ATOM 1393 CA GLY A 112 3.191 -15.638 -25.152 1.00 0.00 C ATOM 1394 C GLY A 112 2.588 -17.028 -24.961 1.00 0.00 C ATOM 1395 O GLY A 112 2.098 -17.332 -23.859 1.00 0.00 O ATOM 1396 OXT GLY A 112 2.650 -17.847 -25.898 1.00 0.00 O ATOM 0 H GLY A 112 5.012 -16.565 -24.694 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.678 -14.924 -24.507 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.034 -15.309 -26.179 1.00 0.00 H new TER 1400 GLY A 112